#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpk s TRP 2 N 0.00 1.70 -0.82 1.43 -0.00 -1.26 -4.75 118.94 115.23 2qpk s TRP 2 Ca 0.00 0.99 -0.25 0.00 -0.00 0.00 0.00 56.10 56.85 2qpk s TRP 2 Cb 0.00 -3.21 -0.19 0.00 -0.00 0.00 0.00 33.47 30.07 2qpk s TRP 2 CO 0.00 -3.39 1.90 -1.91 -0.00 0.00 0.00 176.95 173.55 2qpk n GLU 3 N -4.53 1.05 -0.01 5.86 4.07 -1.26 -4.50 120.64 121.32 2qpk n GLU 3 Ca 0.05 -1.89 -0.00 0.00 -0.06 0.00 0.00 57.16 55.26 2qpk n GLU 3 Cb 0.57 -3.28 -0.12 0.00 -0.06 0.00 0.00 31.44 28.54 2qpk n GLU 3 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2qpk n VAL 4 N 7.28 0.98 0.00 6.31 0.24 -1.26 -4.86 118.33 127.02 2qpk n VAL 4 Ca 0.46 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2qpk n VAL 4 Cb 0.44 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 2qpk n VAL 4 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qpk n GLY 5 N 1.46 -2.56 1.48 7.63 0.00 -1.26 -4.92 105.19 107.02 2qpk n GLY 5 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 2qpk n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qpk s GLY 7 N 0.27 -0.65 0.00 0.00 0.00 -1.26 -4.97 107.32 100.71 2qpk s GLY 7 Ca 0.39 2.34 0.00 0.00 0.00 0.00 0.00 44.72 47.45 2qpk s GLY 7 CO 0.26 3.71 0.00 0.00 0.00 0.00 0.00 173.10 177.07 2qpk n ALA 8 N 5.42 0.05 0.20 3.20 0.00 -1.26 -4.86 120.51 123.27 2qpk n ALA 8 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2qpk n ALA 8 Cb 0.53 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.63 2qpk n ALA 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2qpk h PRO 9 N 0.00 0.00 -6.54 0.00 0.11 -1.82 -3.44 132.00 120.31 2qpk h PRO 9 Ca 0.00 -0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 2qpk h PRO 9 Cb 0.00 -0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.15 2qpk h PRO 9 CO 0.00 0.00 1.10 0.08 -0.21 0.00 0.00 178.00 178.97 2qpk s VAL 10 N -5.06 2.40 -0.18 3.15 1.01 -1.26 -5.06 120.40 115.40 2qpk s VAL 10 Ca -0.05 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 2qpk s VAL 10 Cb 0.18 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 2qpk s VAL 10 CO 0.68 0.00 0.77 -2.84 0.00 0.00 0.00 175.10 173.72 2qpk s PRO 11 N 2.42 4.28 -0.11 2.72 0.02 -1.26 -5.06 135.00 138.01 2qpk s PRO 11 Ca 0.80 0.90 -0.01 0.00 0.02 0.00 0.00 61.00 62.71 2qpk s PRO 11 Cb -0.47 -3.57 -0.03 0.00 0.02 0.00 0.00 34.50 30.45 2qpk s PRO 11 CO 0.36 -0.29 -0.05 -1.17 -0.33 0.00 0.00 177.00 175.52 2qpk s LEU 12 N 2.05 3.25 0.32 -5.54 2.96 -1.26 -5.11 118.68 115.36 2qpk s LEU 12 Ca 0.35 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 54.15 2qpk s LEU 12 Cb -0.16 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.79 2qpk s LEU 12 CO 0.12 0.29 0.51 0.68 -1.32 0.00 0.00 176.35 176.63 2qpk s VAL 13 N -0.34 0.00 0.34 1.68 -7.23 -1.26 -5.18 120.40 108.40 2qpk s VAL 13 Ca 0.05 -1.47 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 2qpk s VAL 13 Cb -0.12 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 2qpk s VAL 13 CO 0.02 0.00 0.60 -0.75 -0.31 0.00 0.00 175.10 174.66 2qpk s LYS 14 N -3.23 3.60 -0.21 4.82 2.20 -1.26 -5.07 119.74 120.58 2qpk s LYS 14 Ca 0.26 -0.01 -0.06 0.00 -0.36 0.00 0.00 55.97 55.80 2qpk s LYS 14 Cb -0.01 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.69 2qpk s LYS 14 CO 0.16 0.12 0.04 0.00 -0.36 0.00 0.00 175.35 175.31 2qpk s ASP 16 N 1.09 6.44 0.00 0.00 -1.08 -1.26 -4.92 116.67 116.94 2qpk s ASP 16 Ca 0.03 -0.05 0.24 0.00 -0.52 0.00 0.00 52.55 52.25 2qpk s ASP 16 Cb -0.14 -2.41 1.04 0.00 -1.46 0.00 0.00 42.92 39.95 2qpk s ASP 16 CO 0.02 -0.98 1.77 -0.62 0.52 0.00 0.00 175.17 175.88 2qpk n GLU 17 N 6.92 0.04 -0.21 4.34 1.02 -1.26 -3.26 120.64 128.22 2qpk n GLU 17 Ca 0.04 0.09 0.06 0.00 -0.02 0.00 0.00 57.16 57.32 2qpk n GLU 17 Cb 0.48 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.57 2qpk n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qpk n ASN 18 N -1.47 3.04 -4.73 1.62 4.13 -1.26 -5.01 115.26 111.58 2qpk n ASN 18 Ca 0.06 -2.17 -0.42 0.00 1.68 0.00 0.00 54.58 53.73 2qpk n ASN 18 Cb 0.27 -0.27 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 2qpk n ASN 18 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2qpk s SER 19 N -1.16 6.71 0.00 6.41 0.15 -1.20 -4.89 113.70 119.71 2qpk s SER 19 Ca 0.25 2.53 0.28 0.00 0.70 0.00 0.00 55.95 59.72 2qpk s SER 19 Cb 0.15 -2.60 1.64 0.00 -1.71 0.00 0.00 66.02 63.50 2qpk s SER 19 CO 0.14 -0.70 2.06 -0.81 1.20 0.00 0.00 173.24 175.13 2qpk n PRO 20 N 3.28 1.07 -4.84 5.44 -0.04 -1.26 -4.85 135.00 133.79 2qpk n PRO 20 Ca 0.10 -0.10 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2qpk n PRO 20 Cb 0.41 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 2qpk n PRO 20 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2qpk s TYR 21 N -1.99 2.41 0.68 0.54 4.12 -1.26 -5.09 117.35 116.75 2qpk s TYR 21 Ca 0.42 -0.36 -0.16 0.00 0.02 0.00 0.00 57.07 57.00 2qpk s TYR 21 Cb 0.20 -1.42 0.01 0.00 -1.52 0.00 0.00 41.96 39.23 2qpk s TYR 21 CO 0.33 0.16 1.18 1.03 0.02 0.00 0.00 175.55 178.28 2qpk s ARG 22 N -1.28 2.49 0.70 -0.62 0.52 -1.26 -5.02 118.95 114.48 2qpk s ARG 22 Ca 0.13 1.68 -0.11 0.00 -0.52 0.00 0.00 55.73 56.90 2qpk s ARG 22 Cb -0.10 -1.88 0.01 0.00 0.52 0.00 0.00 34.95 33.49 2qpk s ARG 22 CO 0.03 -1.55 1.08 0.95 0.02 0.00 0.00 175.30 175.83 2qpk s THR 23 N -1.99 3.70 0.18 0.02 -4.23 -1.26 -4.97 115.64 107.09 2qpk s THR 23 Ca 0.73 0.55 -0.07 0.00 -1.18 0.00 0.00 61.69 61.72 2qpk s THR 23 Cb -0.27 -3.49 -0.00 0.00 1.34 0.00 0.00 72.50 70.07 2qpk s THR 23 CO 0.41 -0.72 1.56 0.40 -0.54 0.00 0.00 174.62 175.73 2qpk h ILE 24 N -0.65 1.28 -0.00 2.99 1.08 -1.92 -3.22 117.51 117.07 2qpk h ILE 24 Ca -0.45 -1.46 0.00 0.00 -0.39 0.00 0.00 64.86 62.56 2qpk h ILE 24 Cb 1.24 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 2qpk h ILE 24 CO 0.62 0.49 -0.26 0.35 -0.69 0.00 0.00 178.15 178.66 2qpk n THR 25 N -4.08 0.00 0.00 -0.27 -2.24 -1.25 -4.48 114.28 101.96 2qpk n THR 25 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2qpk n THR 25 Cb 0.49 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2qpk n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qpk n GLY 26 N 1.42 2.03 3.70 3.38 0.00 -1.22 -1.13 105.19 113.37 2qpk n GLY 26 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2qpk n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qpk s ASP 27 N -1.86 3.59 0.00 1.61 1.01 -1.26 -3.27 116.67 116.50 2qpk s ASP 27 Ca 0.00 2.36 0.00 0.00 0.71 0.00 0.00 52.55 55.62 2qpk s ASP 27 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2qpk s ASP 27 CO 0.00 -2.66 0.00 0.00 0.21 0.00 0.00 175.17 172.72 2qpk h ASN 29 N 0.00 -0.27 -3.38 0.00 -0.73 -1.74 -3.41 115.58 106.05 2qpk h ASN 29 Ca 0.00 -0.24 -0.58 0.00 1.87 0.00 0.00 56.30 57.35 2qpk h ASN 29 Cb 0.05 0.07 -0.08 0.00 0.27 0.00 0.00 38.32 38.63 2qpk h ASN 29 CO 0.00 0.14 0.02 0.21 -0.37 0.00 0.00 177.43 177.43 2qpk s ASN 30 N -5.23 6.75 0.17 1.15 3.84 -1.26 -4.62 114.94 115.74 2qpk s ASN 30 Ca -0.14 0.90 -0.03 0.00 0.21 0.00 0.00 52.86 53.80 2qpk s ASN 30 Cb 0.02 -2.34 0.06 0.00 -0.55 0.00 0.00 41.25 38.43 2qpk s ASN 30 CO 0.54 -0.15 1.45 0.03 -2.79 0.00 0.00 177.10 176.19 2qpk h ARG 31 N 7.08 0.51 0.00 0.43 3.08 -1.96 -3.01 114.38 120.51 2qpk h ARG 31 Ca -0.37 -0.38 -0.18 0.00 0.07 0.00 0.00 59.98 59.12 2qpk h ARG 31 Cb 1.17 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 2qpk h ARG 31 CO 0.76 1.00 -0.87 0.00 -1.07 0.00 0.00 179.97 179.79 2qpk h ARG 32 N 0.37 0.00 -2.65 0.04 3.08 -1.95 -3.40 114.38 109.86 2qpk h ARG 32 Ca -0.02 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.44 2qpk h ARG 32 Cb 1.23 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.89 2qpk h ARG 32 CO 0.12 0.87 -0.84 0.45 -1.07 0.00 0.00 179.97 179.50 2qpk s SER 33 N -6.64 2.74 0.54 7.04 0.15 -1.24 -5.02 113.70 111.26 2qpk s SER 33 Ca 0.02 -2.90 0.24 0.00 0.70 0.00 0.00 55.95 54.00 2qpk s SER 33 Cb 0.09 -0.74 1.43 0.00 -1.71 0.00 0.00 66.02 65.09 2qpk s SER 33 CO 0.80 -0.21 2.06 -0.65 1.20 0.00 0.00 173.24 176.44 2qpk h PRO 34 N 6.13 0.00 -0.00 5.44 0.11 -1.75 -2.18 132.00 139.76 2qpk h PRO 34 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2qpk h PRO 34 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2qpk h PRO 34 CO 0.42 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.19 2qpk n ALA 35 N -2.54 2.42 -1.76 -0.75 0.00 -1.26 -1.36 120.51 115.26 2qpk n ALA 35 Ca 0.05 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 2qpk n ALA 35 Cb 0.42 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 2qpk n ALA 35 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2qpk s LEU 36 N -2.93 4.21 0.00 0.00 2.96 -0.82 -1.79 118.68 120.31 2qpk s LEU 36 Ca 0.16 2.38 0.00 0.00 -0.22 0.00 0.00 54.13 56.45 2qpk s LEU 36 Cb 0.19 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.35 2qpk s LEU 36 CO 0.53 -1.19 0.00 0.61 -1.32 0.00 0.00 176.35 174.98 2qpk n GLY 37 N 4.67 0.95 3.81 7.98 0.00 -1.26 -4.59 105.19 116.74 2qpk n GLY 37 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2qpk n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qpk s ALA 38 N -3.09 2.56 0.65 4.61 0.00 -0.74 -1.67 121.76 124.09 2qpk s ALA 38 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 2qpk s ALA 38 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 2qpk s ALA 38 CO 0.00 -1.38 1.04 0.00 0.00 0.00 0.00 175.76 175.43 2qpk s ALA 39 N -3.03 2.95 -1.44 0.00 0.00 -0.28 -4.10 121.76 115.86 2qpk s ALA 39 Ca 0.59 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 2qpk s ALA 39 Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2qpk s ALA 39 CO 0.55 -0.89 0.48 0.09 0.00 0.00 0.00 175.76 175.99 2qpk n ASN 40 N -2.89 -5.68 -4.49 0.00 3.02 0.57 -4.93 115.26 100.87 2qpk n ASN 40 Ca 0.06 -0.23 -0.23 0.00 -0.03 0.00 0.00 54.58 54.16 2qpk n ASN 40 Cb 0.54 -4.54 -0.11 0.00 -0.61 0.00 0.00 39.78 35.07 2qpk n ASN 40 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2qpk s ARG 41 N -5.50 1.70 0.57 3.52 1.81 -1.21 -4.21 118.95 115.63 2qpk s ARG 41 Ca 0.24 -1.93 -0.19 0.00 -1.72 0.00 0.00 55.73 52.12 2qpk s ARG 41 Cb -0.11 -1.12 -0.05 0.00 -0.45 0.00 0.00 34.95 33.23 2qpk s ARG 41 CO 0.29 -0.10 1.17 0.00 -0.68 0.00 0.00 175.30 175.98 2qpk s ALA 42 N -3.09 2.63 0.35 2.13 0.00 -1.26 -1.11 121.76 121.40 2qpk s ALA 42 Ca 0.35 0.92 -0.28 0.00 0.00 0.00 0.00 51.96 52.95 2qpk s ALA 42 Cb 0.08 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 2qpk s ALA 42 CO 0.15 -0.96 1.24 -0.51 0.00 0.00 0.00 175.76 175.68 2qpk s LEU 43 N -3.91 4.36 0.65 0.00 1.43 -0.80 -4.74 118.68 115.66 2qpk s LEU 43 Ca 0.75 2.54 -0.15 0.00 -1.03 0.00 0.00 54.13 56.24 2qpk s LEU 43 Cb -0.27 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.18 2qpk s LEU 43 CO 0.30 -0.55 1.10 0.00 0.23 0.00 0.00 176.35 177.43 2qpk s ALA 44 N -1.22 2.51 -0.24 4.21 0.00 -0.76 -4.67 121.76 121.59 2qpk s ALA 44 Ca 0.51 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 2qpk s ALA 44 Cb -0.36 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.47 2qpk s ALA 44 CO 0.47 -1.20 -0.06 1.03 0.00 0.00 0.00 175.76 176.00 2qpk s ARG 45 N -4.09 3.00 0.16 0.00 1.81 -1.26 -1.00 118.95 117.57 2qpk s ARG 45 Ca 0.66 -0.87 0.12 0.00 -1.72 0.00 0.00 55.73 53.93 2qpk s ARG 45 Cb -0.20 -2.98 -0.09 0.00 -0.45 0.00 0.00 34.95 31.23 2qpk s ARG 45 CO 0.41 -0.34 1.23 -1.49 -0.68 0.00 0.00 175.30 174.43 2qpk h TRP 46 N 8.05 0.00 -3.91 -0.53 6.55 -1.98 -3.46 115.95 120.67 2qpk h TRP 46 Ca -0.36 0.00 -0.25 0.00 0.95 0.00 0.00 58.89 59.23 2qpk h TRP 46 Cb 1.12 0.00 -0.19 0.00 -0.86 0.00 0.00 29.16 29.24 2qpk h TRP 46 CO 0.57 0.73 -0.72 -0.51 -1.05 0.00 0.00 178.44 177.46 2qpk s LEU 47 N -6.41 2.36 0.48 -4.49 1.43 -1.26 -5.14 118.68 105.65 2qpk s LEU 47 Ca 0.01 -0.74 -0.24 0.00 -1.03 0.00 0.00 54.13 52.13 2qpk s LEU 47 Cb 0.09 -0.13 -0.08 0.00 0.03 0.00 0.00 46.19 46.10 2qpk s LEU 47 CO 0.79 -0.31 1.36 -2.65 0.23 0.00 0.00 176.35 175.77 2qpk n PRO 48 N 0.85 1.98 -2.09 1.29 -0.02 -1.26 -4.95 135.00 130.80 2qpk n PRO 48 Ca -0.18 0.71 -0.37 0.00 -2.02 0.00 0.00 63.50 61.63 2qpk n PRO 48 Cb 0.57 -2.55 0.01 0.00 -0.02 0.00 0.00 33.50 31.52 2qpk n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qpk s ALA 49 N -1.23 2.87 -0.33 3.55 0.00 -1.26 -4.70 121.76 120.66 2qpk s ALA 49 Ca 0.65 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.71 2qpk s ALA 49 Cb -0.45 -3.45 0.10 0.00 0.00 0.00 0.00 23.12 19.32 2qpk s ALA 49 CO 0.55 -0.94 0.03 -1.21 0.00 0.00 0.00 175.76 174.19 2qpk s GLU 50 N -2.85 1.55 0.27 0.00 2.02 0.37 -5.01 118.70 115.06 2qpk s GLU 50 Ca 0.68 -1.80 0.09 0.00 0.02 0.00 0.00 54.97 53.96 2qpk s GLU 50 Cb -0.32 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 2qpk s GLU 50 CO 0.38 -0.90 0.09 0.71 0.02 0.00 0.00 175.26 175.56 2qpk s TYR 51 N 0.94 2.83 0.26 1.61 1.51 -1.26 -4.35 117.35 118.89 2qpk s TYR 51 Ca 0.09 -0.21 -0.05 0.00 -1.01 0.00 0.00 57.07 55.89 2qpk s TYR 51 Cb -0.19 -1.33 0.30 0.00 -0.11 0.00 0.00 41.96 40.63 2qpk s TYR 51 CO -0.08 0.54 1.94 1.49 -1.11 0.00 0.00 175.55 178.33 2qpk h GLU 52 N 1.70 1.27 -0.33 -0.62 4.81 0.17 -2.61 114.58 118.97 2qpk h GLU 52 Ca -0.45 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 2qpk h GLU 52 Cb 1.25 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2qpk h GLU 52 CO 0.61 0.84 0.01 -0.40 -0.73 0.00 0.00 179.01 179.34 2qpk n ASP 53 N -4.38 4.12 0.00 1.04 5.75 -1.25 -4.94 116.55 116.88 2qpk n ASP 53 Ca 0.11 -3.05 0.00 0.00 -0.01 0.00 0.00 54.79 51.84 2qpk n ASP 53 Cb 0.02 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 2qpk n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qpk n GLY 54 N -0.37 2.35 0.44 6.12 0.00 -0.98 -4.67 105.19 108.07 2qpk n GLY 54 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 2qpk n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qpk n LEU 55 N 0.00 1.66 0.00 0.99 4.77 -1.26 -4.63 117.00 118.54 2qpk n LEU 55 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2qpk n LEU 55 Cb 0.00 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2qpk n LEU 55 CO 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 177.39 176.38 2qpk n ALA 56 N -2.86 0.14 -2.67 -1.18 0.00 -1.26 -0.85 120.51 111.84 2qpk n ALA 56 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 2qpk n ALA 56 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 2qpk n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qpk s LEU 57 N -0.35 4.37 0.67 0.00 2.01 -1.26 -4.91 118.68 119.21 2qpk s LEU 57 Ca 0.00 1.57 -0.13 0.00 0.01 0.00 0.00 54.13 55.58 2qpk s LEU 57 Cb 0.00 -3.46 0.00 0.00 0.01 0.00 0.00 46.19 42.74 2qpk s LEU 57 CO 0.00 -0.21 1.08 -2.16 1.01 0.00 0.00 176.35 176.07 2qpk s PRO 58 N 0.86 2.89 0.17 1.29 0.04 -1.26 0.18 135.00 139.16 2qpk s PRO 58 Ca 0.48 1.17 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 2qpk s PRO 58 Cb -0.20 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 2qpk s PRO 58 CO 0.26 -1.15 1.44 -0.06 0.04 0.00 0.00 177.00 177.53 2qpk s PHE 59 N -2.68 3.15 0.00 0.56 0.40 -1.26 -2.37 117.98 115.79 2qpk s PHE 59 Ca 0.62 0.90 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 2qpk s PHE 59 Cb -0.17 -3.77 0.00 0.00 0.51 0.00 0.00 43.02 39.59 2qpk s PHE 59 CO 0.47 -2.68 0.00 0.41 0.70 0.00 0.00 175.22 174.11 2qpk n GLY 60 N 3.19 0.48 0.07 4.36 0.00 -1.26 -4.93 105.19 107.09 2qpk n GLY 60 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2qpk n GLY 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2qpk h TRP 61 N 0.00 -0.02 -3.36 1.61 2.91 -1.84 -3.40 115.95 111.84 2qpk h TRP 61 Ca 0.00 -0.00 -0.72 0.00 1.13 0.00 0.00 58.89 59.30 2qpk h TRP 61 Cb 0.00 0.01 -0.21 0.00 -0.51 0.00 0.00 29.16 28.45 2qpk h TRP 61 CO 0.00 0.55 -0.23 0.99 -1.03 0.00 0.00 178.44 178.72 2qpk s THR 62 N -3.83 5.13 -0.38 2.65 2.01 -1.26 -4.95 115.64 115.01 2qpk s THR 62 Ca -0.16 -0.74 0.08 0.00 0.31 0.00 0.00 61.69 61.18 2qpk s THR 62 Cb 0.01 -4.12 0.08 0.00 0.01 0.00 0.00 72.50 68.48 2qpk s THR 62 CO 0.66 -0.56 1.15 0.00 -0.69 0.00 0.00 174.62 175.17 2qpk n GLN 63 N 5.49 0.05 -0.01 4.92 3.00 -1.26 -1.29 117.38 128.29 2qpk n GLN 63 Ca -0.10 0.48 0.09 0.00 -0.01 0.00 0.00 57.00 57.46 2qpk n GLN 63 Cb 0.45 -1.85 -0.13 0.00 0.00 0.00 0.00 30.24 28.71 2qpk n GLN 63 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2qpk n ARG 64 N -1.75 0.74 -2.81 -1.09 1.85 -1.26 -4.94 116.66 107.39 2qpk n ARG 64 Ca -0.01 -0.11 -0.38 0.00 -1.00 0.00 0.00 57.85 56.36 2qpk n ARG 64 Cb 0.18 -1.41 -0.06 0.00 -1.05 0.00 0.00 32.46 30.13 2qpk n ARG 64 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2qpk s LYS 65 N -3.08 4.61 0.48 2.89 -0.14 -0.41 -5.07 119.74 119.03 2qpk s LYS 65 Ca -0.02 1.31 0.06 0.00 -1.36 0.00 0.00 55.97 55.96 2qpk s LYS 65 Cb 0.12 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.35 2qpk s LYS 65 CO 0.76 0.35 0.32 0.95 -0.76 0.00 0.00 175.35 176.97 2qpk s THR 66 N -1.50 1.98 -0.27 2.17 -4.23 -1.26 -4.81 115.64 107.72 2qpk s THR 66 Ca 0.47 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 2qpk s THR 66 Cb -0.20 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.18 2qpk s THR 66 CO 0.25 0.00 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.65 2qpk s ARG 67 N -4.13 2.11 -1.58 3.99 3.52 0.49 -4.66 118.95 118.69 2qpk s ARG 67 Ca 0.37 -1.43 -0.02 0.00 -0.13 0.00 0.00 55.73 54.52 2qpk s ARG 67 Cb -0.01 -2.93 0.01 0.00 -1.56 0.00 0.00 34.95 30.46 2qpk s ARG 67 CO 0.22 -0.63 0.25 0.09 -0.81 0.00 0.00 175.30 174.42 2qpk n ASN 68 N 4.41 -5.61 0.00 -2.12 3.02 -1.26 -2.41 115.26 111.28 2qpk n ASN 68 Ca -0.11 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2qpk n ASN 68 Cb 0.42 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 34.97 2qpk n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qpk n GLY 69 N -1.19 0.28 3.22 7.41 0.00 -1.26 -5.07 105.19 108.58 2qpk n GLY 69 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 2qpk n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qpk s PHE 70 N -2.08 1.28 0.41 1.61 0.40 -1.01 -4.98 117.98 113.60 2qpk s PHE 70 Ca 0.00 -0.58 -0.25 0.00 -0.60 0.00 0.00 56.93 55.50 2qpk s PHE 70 Cb 0.00 -0.68 -0.08 0.00 0.51 0.00 0.00 43.02 42.77 2qpk s PHE 70 CO 0.00 0.09 1.19 1.03 0.70 0.00 0.00 175.22 178.24 2qpk s ARG 71 N -2.65 4.01 0.03 0.44 0.52 -1.26 -0.38 118.95 119.66 2qpk s ARG 71 Ca 0.07 1.89 -0.22 0.00 -0.52 0.00 0.00 55.73 56.96 2qpk s ARG 71 Cb -0.05 -2.67 -0.06 0.00 0.52 0.00 0.00 34.95 32.70 2qpk s ARG 71 CO 0.02 -0.37 0.64 0.14 0.02 0.00 0.00 175.30 175.75 2qpk s VAL 72 N -1.39 4.81 0.68 3.52 -7.23 -1.26 -4.89 120.40 114.64 2qpk s VAL 72 Ca 0.58 1.36 -0.16 0.00 -1.81 0.00 0.00 61.98 61.95 2qpk s VAL 72 Cb -0.32 -3.98 0.01 0.00 0.56 0.00 0.00 36.38 32.65 2qpk s VAL 72 CO 0.40 0.43 1.18 -2.16 -0.31 0.00 0.00 175.10 174.64 2qpk s PRO 73 N -0.34 2.50 0.39 4.82 0.04 -1.26 -4.95 135.00 136.21 2qpk s PRO 73 Ca 0.33 1.67 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 2qpk s PRO 73 Cb -0.19 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 2qpk s PRO 73 CO 0.19 -1.54 1.38 -0.51 0.04 0.00 0.00 177.00 176.56 2qpk s LEU 74 N -4.84 4.28 0.18 -3.56 1.43 -1.26 -4.92 118.68 109.99 2qpk s LEU 74 Ca 0.73 2.82 -0.13 0.00 -1.03 0.00 0.00 54.13 56.52 2qpk s LEU 74 Cb -0.27 -3.78 0.09 0.00 0.03 0.00 0.00 46.19 42.26 2qpk s LEU 74 CO 0.41 -0.84 1.85 0.00 0.23 0.00 0.00 176.35 178.00 2qpk h ALA 75 N 2.87 0.75 0.00 4.21 0.00 -1.89 -2.26 119.26 122.94 2qpk h ALA 75 Ca -0.50 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 2qpk h ALA 75 Cb 1.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2qpk h ALA 75 CO 0.63 0.19 -0.22 -0.09 0.00 0.00 0.00 179.25 179.76 2qpk h ARG 76 N 0.80 0.00 0.26 0.00 9.65 -1.86 -1.65 114.38 121.58 2qpk h ARG 76 Ca 0.22 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.08 2qpk h ARG 76 Cb -0.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 2qpk h ARG 76 CO -0.05 0.22 -0.12 1.49 2.80 0.00 0.00 179.97 184.31 2qpk h GLU 77 N 0.00 -0.34 -0.99 0.20 4.81 -1.73 -0.31 114.58 116.22 2qpk h GLU 77 Ca -0.00 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2qpk h GLU 77 Cb 0.49 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 2qpk h GLU 77 CO 0.03 -0.05 0.64 0.28 -0.73 0.00 0.00 179.01 179.18 2qpk h VAL 78 N -0.61 1.15 0.09 0.32 2.07 -1.32 0.60 116.25 118.55 2qpk h VAL 78 Ca -0.04 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2qpk h VAL 78 Cb 0.44 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 2qpk h VAL 78 CO 0.06 0.22 -0.12 -1.28 0.02 0.00 0.00 177.57 176.47 2qpk h SER 79 N 1.23 -0.33 -0.70 0.57 0.87 -1.16 -0.95 113.55 113.07 2qpk h SER 79 Ca 0.40 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.99 2qpk h SER 79 Cb 0.04 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 2qpk h SER 79 CO -0.14 -0.18 0.39 0.78 -0.53 0.00 0.00 176.83 177.15 2qpk h ASN 80 N -0.25 0.87 1.21 6.23 2.35 0.19 -1.68 115.58 124.48 2qpk h ASN 80 Ca 0.01 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2qpk h ASN 80 Cb 0.26 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 2qpk h ASN 80 CO -0.05 0.70 -0.80 0.11 -1.65 0.00 0.00 177.43 175.74 2qpk h LYS 81 N 0.96 0.00 0.00 0.81 1.57 -0.86 -3.40 116.57 115.66 2qpk h LYS 81 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2qpk h LYS 81 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2qpk h LYS 81 CO -0.04 0.01 -0.99 -0.89 -0.57 0.00 0.00 179.45 176.97 2qpk n ILE 82 N -2.78 0.00 0.11 1.86 5.41 -0.37 -4.88 119.36 118.71 2qpk n ILE 82 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.77 2qpk n ILE 82 Cb 0.56 -1.13 -0.01 0.00 -0.71 0.00 0.00 39.64 38.35 2qpk n ILE 82 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2qpk h VAL 83 N 0.00 0.80 -3.79 1.39 2.07 -1.31 -3.44 116.25 111.97 2qpk h VAL 83 Ca 0.00 -2.21 -0.49 0.00 0.82 0.00 0.00 66.70 64.82 2qpk h VAL 83 Cb 0.99 2.34 0.05 0.00 -1.52 0.00 0.00 31.29 33.15 2qpk h VAL 83 CO 0.00 0.46 0.21 -0.83 0.02 0.00 0.00 177.57 177.43 2qpk s GLY 84 N -4.56 1.58 0.11 2.17 0.00 -0.92 -2.54 107.32 103.16 2qpk s GLY 84 Ca 0.02 -0.51 -0.26 0.00 0.00 0.00 0.00 44.72 43.97 2qpk s GLY 84 CO 0.77 -0.27 0.94 -2.52 0.00 0.00 0.00 173.10 172.01 2qpk s TYR 85 N -2.96 -0.20 -0.07 1.90 -0.85 -1.26 -4.79 117.35 109.12 2qpk s TYR 85 Ca 0.52 -0.06 0.04 0.00 -0.52 0.00 0.00 57.07 57.06 2qpk s TYR 85 Cb -0.11 0.61 -0.07 0.00 0.38 0.00 0.00 41.96 42.77 2qpk s TYR 85 CO 0.47 -0.74 -0.00 1.28 -1.52 0.00 0.00 175.55 175.03 2qpk n LEU 86 N -0.41 0.82 -4.44 -3.49 4.77 -1.26 -4.67 117.00 108.32 2qpk n LEU 86 Ca -0.07 -0.01 -0.44 0.00 -0.03 0.00 0.00 56.01 55.46 2qpk n LEU 86 Cb 0.61 0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 2qpk n LEU 86 CO 0.13 0.29 0.29 -0.62 -1.33 0.00 0.00 177.39 176.15 2qpk s ASP 87 N -4.05 6.22 0.00 -1.43 2.15 -1.26 -4.92 116.67 113.38 2qpk s ASP 87 Ca -0.05 -0.93 0.22 0.00 0.43 0.00 0.00 52.55 52.22 2qpk s ASP 87 Cb 0.02 -2.28 1.28 0.00 -0.30 0.00 0.00 42.92 41.64 2qpk s ASP 87 CO 0.24 -0.85 1.68 -0.62 -0.17 0.00 0.00 175.17 175.46 2qpk n GLU 88 N 6.04 0.64 -2.66 4.34 -0.58 -1.26 -4.81 120.64 122.35 2qpk n GLU 88 Ca -0.07 0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.27 2qpk n GLU 88 Cb 0.45 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.78 2qpk n GLU 88 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2qpk s GLU 89 N -2.07 4.63 0.00 3.49 2.12 -1.26 -3.44 118.70 122.16 2qpk s GLU 89 Ca 0.31 1.52 0.00 0.00 0.36 0.00 0.00 54.97 57.16 2qpk s GLU 89 Cb 0.15 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 31.16 2qpk s GLU 89 CO 0.26 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.48 2qpk n GLY 90 N 2.45 0.67 0.02 -1.50 0.00 -1.26 -4.93 105.19 100.64 2qpk n GLY 90 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 2qpk n GLY 90 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qpk n VAL 91 N -2.61 0.09 -2.51 1.61 3.14 -1.22 -4.95 118.33 111.87 2qpk n VAL 91 Ca 0.00 -0.12 -0.37 0.00 -2.96 0.00 0.00 64.34 60.89 2qpk n VAL 91 Cb 0.00 0.36 -0.04 0.00 -1.06 0.00 0.00 33.84 33.10 2qpk n VAL 91 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2qpk s LEU 92 N -3.47 4.19 -0.39 6.55 1.43 -1.26 -1.35 118.68 124.38 2qpk s LEU 92 Ca 0.07 2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 54.98 2qpk s LEU 92 Cb 0.16 -4.11 0.02 0.00 0.03 0.00 0.00 46.19 42.29 2qpk s LEU 92 CO 0.78 -0.48 1.17 -0.62 0.23 0.00 0.00 176.35 177.44 2qpk s ASP 93 N -1.44 6.71 0.21 2.29 -1.08 0.04 -4.56 116.67 118.84 2qpk s ASP 93 Ca 0.56 0.81 0.19 0.00 -0.52 0.00 0.00 52.55 53.59 2qpk s ASP 93 Cb -0.24 -2.55 0.88 0.00 -1.46 0.00 0.00 42.92 39.55 2qpk s ASP 93 CO 0.30 -1.12 1.57 0.00 0.52 0.00 0.00 175.17 176.44 2qpk n GLN 94 N 7.47 0.12 -1.44 4.34 1.13 -1.26 -3.44 117.38 124.30 2qpk n GLN 94 Ca 0.13 0.49 0.03 0.00 -1.94 0.00 0.00 57.00 55.71 2qpk n GLN 94 Cb 0.48 -1.81 0.07 0.00 0.11 0.00 0.00 30.24 29.09 2qpk n GLN 94 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2qpk n ASN 95 N -2.06 1.38 -3.72 1.08 5.15 -1.26 -4.61 115.26 111.23 2qpk n ASN 95 Ca 0.01 -2.53 -0.13 0.00 -0.60 0.00 0.00 54.58 51.33 2qpk n ASN 95 Cb 0.12 -0.37 -0.14 0.00 -0.53 0.00 0.00 39.78 38.86 2qpk n ASN 95 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2qpk s ARG 96 N -1.31 0.13 0.87 1.20 1.81 -1.22 -3.63 118.95 116.80 2qpk s ARG 96 Ca 0.35 0.48 -0.12 0.00 -1.72 0.00 0.00 55.73 54.72 2qpk s ARG 96 Cb 0.38 -0.16 0.11 0.00 -0.45 0.00 0.00 34.95 34.83 2qpk s ARG 96 CO -0.12 -0.19 1.15 -1.54 -0.68 0.00 0.00 175.30 173.92 2qpk s SER 97 N 1.43 3.95 0.50 0.23 1.04 -0.48 -1.78 113.70 118.59 2qpk s SER 97 Ca -0.07 0.89 0.16 0.00 0.48 0.00 0.00 55.95 57.41 2qpk s SER 97 Cb -0.11 -1.43 1.22 0.00 0.10 0.00 0.00 66.02 65.79 2qpk s SER 97 CO -0.07 -2.26 2.11 0.25 0.98 0.00 0.00 173.24 174.24 2qpk h LEU 98 N -1.30 0.00 -2.09 2.42 6.46 -0.80 -0.75 115.31 119.25 2qpk h LEU 98 Ca -0.49 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.30 2qpk h LEU 98 Cb 1.33 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.26 2qpk h LEU 98 CO 0.64 0.06 0.06 0.25 -0.62 0.00 0.00 178.44 178.82 2qpk h LEU 99 N 0.00 0.00 -0.39 2.25 5.85 -1.73 -1.92 115.31 119.37 2qpk h LEU 99 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2qpk h LEU 99 Cb 0.10 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2qpk h LEU 99 CO 0.01 0.00 0.24 0.15 -0.34 0.00 0.00 178.44 178.50 2qpk h PHE 100 N 0.00 0.50 -0.05 1.25 3.57 -1.38 0.24 116.94 121.08 2qpk h PHE 100 Ca 0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2qpk h PHE 100 Cb 0.16 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2qpk h PHE 100 CO 0.00 0.34 0.01 1.98 -2.23 0.00 0.00 178.31 178.41 2qpk h MET 101 N 0.51 0.07 -0.62 1.11 4.05 -1.50 -3.15 114.93 115.41 2qpk h MET 101 Ca 0.14 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.58 2qpk h MET 101 Cb -0.03 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 2qpk h MET 101 CO -0.03 0.25 0.41 0.37 0.23 0.00 0.00 176.91 178.15 2qpk h GLN 102 N -0.12 0.73 -0.39 0.39 5.75 -1.15 -1.80 115.11 118.52 2qpk h GLN 102 Ca 0.01 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.34 2qpk h GLN 102 Cb 0.21 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 2qpk h GLN 102 CO -0.00 0.48 -0.28 2.35 -2.65 0.00 0.00 178.83 178.73 2qpk h TRP 103 N 0.75 0.96 -0.51 3.99 2.91 -0.98 -2.77 115.95 120.29 2qpk h TRP 103 Ca 0.25 -0.24 0.04 0.00 1.13 0.00 0.00 58.89 60.06 2qpk h TRP 103 Cb 0.06 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.45 2qpk h TRP 103 CO -0.00 1.01 0.28 0.78 -1.03 0.00 0.00 178.44 179.47 2qpk h GLY 104 N 0.92 0.72 1.38 2.65 0.00 -1.29 -0.36 103.07 107.10 2qpk h GLY 104 Ca 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 2qpk h GLY 104 CO 0.07 0.14 0.29 -1.61 0.00 0.00 0.00 176.54 175.43 2qpk h GLN 105 N 0.54 0.81 -0.16 4.80 4.15 -1.37 -0.67 115.11 123.20 2qpk h GLN 105 Ca 0.22 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 2qpk h GLN 105 Cb 0.10 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2qpk h GLN 105 CO -0.14 0.62 0.02 0.82 -1.93 0.00 0.00 178.83 178.22 2qpk h ILE 106 N 0.81 1.23 -0.45 2.39 2.04 -0.97 -1.26 117.51 121.30 2qpk h ILE 106 Ca 0.20 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 2qpk h ILE 106 Cb 0.06 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2qpk h ILE 106 CO -0.03 0.23 0.28 0.58 0.00 0.00 0.00 178.15 179.21 2qpk h VAL 107 N 0.04 1.13 -0.18 1.67 2.07 -0.87 -2.09 116.25 118.02 2qpk h VAL 107 Ca 0.05 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.32 2qpk h VAL 107 Cb 0.33 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 2qpk h VAL 107 CO 0.00 0.13 -0.12 -0.78 0.02 0.00 0.00 177.57 176.83 2qpk h ASP 108 N 0.61 -0.39 0.60 0.57 1.82 -1.04 -1.77 116.42 116.81 2qpk h ASP 108 Ca 0.16 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 2qpk h ASP 108 Cb -0.02 0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.19 2qpk h ASP 108 CO -0.03 -0.16 -0.04 0.45 -1.61 0.00 0.00 179.24 177.85 2qpk h HIS 109 N -0.12 0.00 0.00 0.28 3.86 -0.97 -1.32 115.15 116.88 2qpk h HIS 109 Ca 0.11 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.15 2qpk h HIS 109 Cb 0.28 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 2qpk h HIS 109 CO -0.27 0.04 -0.82 0.22 0.86 0.00 0.00 177.93 177.96 2qpk h ASP 110 N 0.00 0.00 0.16 2.45 1.82 -0.64 -3.38 116.42 116.82 2qpk h ASP 110 Ca -0.00 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.29 2qpk h ASP 110 Cb 0.35 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.30 2qpk h ASP 110 CO 0.01 0.82 -2.16 0.18 -1.61 0.00 0.00 179.24 176.47 2qpk n LEU 111 N -3.57 0.74 -3.75 2.28 4.77 -0.61 -4.46 117.00 112.41 2qpk n LEU 111 Ca -0.01 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 2qpk n LEU 111 Cb 0.78 0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.93 2qpk n LEU 111 CO 0.45 0.53 0.04 1.51 -1.33 0.00 0.00 177.39 178.59 2qpk s ASP 112 N -5.88 -0.36 -0.23 -1.43 -4.77 -0.60 -4.37 116.67 99.02 2qpk s ASP 112 Ca -0.12 0.67 -0.06 0.00 -3.30 0.00 0.00 52.55 49.74 2qpk s ASP 112 Cb 0.07 0.70 0.11 0.00 -1.09 0.00 0.00 42.92 42.71 2qpk s ASP 112 CO 0.80 -0.17 0.46 0.12 0.70 0.00 0.00 175.17 177.09 2qpk s PHE 113 N 0.01 -0.96 -0.53 2.11 5.36 -1.26 -4.59 117.98 118.13 2qpk s PHE 113 Ca -0.02 1.56 -0.02 0.00 -0.96 0.00 0.00 56.93 57.50 2qpk s PHE 113 Cb -0.03 0.36 0.14 0.00 -0.34 0.00 0.00 43.02 43.15 2qpk s PHE 113 CO 0.01 -0.58 0.33 0.00 -1.46 0.00 0.00 175.22 173.51 2qpk s ALA 114 N 2.67 3.38 0.51 11.12 0.00 -1.25 0.73 121.76 138.92 2qpk s ALA 114 Ca 0.02 -2.97 -0.21 0.00 0.00 0.00 0.00 51.96 48.80 2qpk s ALA 114 Cb -0.13 -2.51 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 2qpk s ALA 114 CO -0.15 -1.97 1.12 -1.25 0.00 0.00 0.00 175.76 173.51 2qpk s PRO 115 N 0.40 3.56 0.94 0.00 0.04 -1.26 -4.75 135.00 133.92 2qpk s PRO 115 Ca 0.13 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 2qpk s PRO 115 Cb -0.22 -2.14 0.15 0.00 0.04 0.00 0.00 34.50 32.34 2qpk s PRO 115 CO -0.04 -0.68 1.09 -1.21 0.04 0.00 0.00 177.00 176.21 2qpk s GLU 116 N -3.09 0.89 0.19 4.56 2.02 -1.26 -0.54 118.70 121.46 2qpk s GLU 116 Ca 0.69 1.05 -0.30 0.00 0.02 0.00 0.00 54.97 56.43 2qpk s GLU 116 Cb -0.24 -1.75 -0.08 0.00 0.10 0.00 0.00 34.13 32.17 2qpk s GLU 116 CO 0.28 -2.56 0.98 0.95 0.02 0.00 0.00 175.26 174.92 2qpk s THR 117 N -2.77 4.15 0.00 3.63 -4.23 -0.64 -4.31 115.64 111.47 2qpk s THR 117 Ca 0.65 1.98 0.00 0.00 -1.18 0.00 0.00 61.69 63.14 2qpk s THR 117 Cb -0.20 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.37 2qpk s THR 117 CO 0.59 0.40 0.00 1.21 -0.54 0.00 0.00 174.62 176.27 2qpk n GLU 118 N 2.04 0.00 -2.00 3.99 2.13 -1.26 -4.94 120.64 120.60 2qpk n GLU 118 Ca 0.00 0.05 -0.08 0.00 0.66 0.00 0.00 57.16 57.79 2qpk n GLU 118 Cb 0.47 -0.32 0.01 0.00 0.27 0.00 0.00 31.44 31.87 2qpk n GLU 118 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2qpk n LEU 119 N -1.47 -1.51 0.00 4.31 4.32 -1.26 -4.81 117.00 116.58 2qpk n LEU 119 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 2qpk n LEU 119 Cb 0.00 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 2qpk n LEU 119 CO 0.00 -0.39 0.00 0.61 -1.22 0.00 0.00 177.39 176.39 2qpk n GLY 120 N 0.47 1.30 3.24 -0.72 0.00 -1.26 -5.02 105.19 103.21 2qpk n GLY 120 Ca -0.02 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 2qpk n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qpk s SER 121 N 0.00 4.55 0.00 1.61 1.04 -1.26 -4.23 113.70 115.41 2qpk s SER 121 Ca 0.00 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2qpk s SER 121 Cb 0.00 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.40 2qpk s SER 121 CO 0.00 -0.15 0.00 0.59 0.98 0.00 0.00 173.24 174.66 2qpk n ASN 122 N 4.72 -0.43 -4.15 7.02 3.02 -1.26 -5.10 115.26 119.07 2qpk n ASN 122 Ca -0.16 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.15 2qpk n ASN 122 Cb 0.47 -0.14 -0.15 0.00 -0.61 0.00 0.00 39.78 39.35 2qpk n ASN 122 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2qpk s GLU 123 N -1.55 1.34 0.00 3.52 2.56 -1.26 -5.01 118.70 118.31 2qpk s GLU 123 Ca 0.00 -0.59 0.11 0.00 0.00 0.00 0.00 54.97 54.49 2qpk s GLU 123 Cb 0.00 -1.30 0.67 0.00 2.00 0.00 0.00 34.13 35.51 2qpk s GLU 123 CO 0.00 0.35 1.16 0.72 -0.56 0.00 0.00 175.26 176.94 2qpk n HIS 124 N 2.68 0.00 -0.04 5.30 8.25 -1.26 -3.50 115.22 126.66 2qpk n HIS 124 Ca -0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.20 2qpk n HIS 124 Cb 0.54 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 2qpk n HIS 124 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2qpk h SER 125 N 0.00 0.20 0.49 0.41 0.87 -1.95 1.87 113.55 115.45 2qpk h SER 125 Ca 0.00 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.24 2qpk h SER 125 Cb 0.00 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2qpk h SER 125 CO 0.00 0.44 -0.15 0.11 -0.53 0.00 0.00 176.83 176.70 2qpk h LYS 126 N -0.05 0.00 0.00 2.24 1.57 -1.85 -1.58 116.57 116.90 2qpk h LYS 126 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2qpk h LYS 126 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2qpk h LYS 126 CO 0.00 0.15 -0.10 1.15 -0.57 0.00 0.00 179.45 180.08 2qpk h THR 127 N 0.00 1.14 -0.05 -0.16 2.02 -1.62 -2.97 112.91 111.26 2qpk h THR 127 Ca -0.00 -1.89 0.02 0.00 0.77 0.00 0.00 66.41 65.31 2qpk h THR 127 Cb 0.43 2.18 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2qpk h THR 127 CO 0.02 0.39 0.13 -0.61 0.37 0.00 0.00 175.52 175.82 2qpk h GLN 128 N -1.00 0.00 0.03 6.66 4.15 0.31 0.31 115.11 125.58 2qpk h GLN 128 Ca -0.02 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.18 2qpk h GLN 128 Cb 0.70 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 2qpk h GLN 128 CO -0.01 0.00 -1.13 0.00 -1.93 0.00 0.00 178.83 175.75 2qpk h GLU 130 N -0.80 0.42 -0.09 0.00 4.81 -1.31 -2.70 114.58 114.91 2qpk h GLU 130 Ca -0.29 -0.66 -0.04 0.00 -0.13 0.00 0.00 59.36 58.24 2qpk h GLU 130 Cb 1.39 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 2qpk h GLU 130 CO -0.11 1.30 -0.11 0.93 -0.73 0.00 0.00 179.01 180.29 2qpk h GLU 131 N -0.13 0.24 0.00 1.92 3.07 -0.60 -3.38 114.58 115.70 2qpk h GLU 131 Ca -0.17 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 2qpk h GLU 131 Cb 1.78 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.70 2qpk h GLU 131 CO 0.19 0.69 -0.78 0.66 -1.40 0.00 0.00 179.01 178.37 2qpk n TYR 132 N -4.63 0.00 -2.57 4.33 4.02 -1.22 -4.99 117.16 112.08 2qpk n TYR 132 Ca -0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.61 2qpk n TYR 132 Cb 0.34 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 2qpk n TYR 132 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2qpk s ILE 134 N -3.05 4.87 0.41 0.00 1.01 -1.21 -4.89 121.20 118.35 2qpk s ILE 134 Ca 0.09 1.32 -0.24 0.00 0.00 0.00 0.00 60.65 61.82 2qpk s ILE 134 Cb -0.04 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 2qpk s ILE 134 CO 0.12 -0.10 1.14 -1.58 0.00 0.00 0.00 174.94 174.52 2qpk s GLN 135 N 2.78 4.02 0.00 2.79 0.74 -1.26 -4.74 119.66 123.99 2qpk s GLN 135 Ca 0.32 1.75 0.00 0.00 0.05 0.00 0.00 55.36 57.47 2qpk s GLN 135 Cb -0.15 -2.59 0.00 0.00 1.10 0.00 0.00 33.01 31.37 2qpk s GLN 135 CO 0.09 -0.32 0.00 0.41 -0.55 0.00 0.00 175.29 174.92 2qpk n GLY 136 N 0.54 3.43 6.41 2.59 0.00 -0.76 -5.02 105.19 112.37 2qpk n GLY 136 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2qpk n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qpk n ASP 137 N 0.00 0.00 0.00 1.61 8.00 -1.26 -1.03 116.55 123.87 2qpk n ASP 137 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 2qpk n ASP 137 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 2qpk n ASP 137 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2qpk n ASN 138 N -1.95 0.00 -4.55 -2.24 3.02 -1.26 -4.53 115.26 103.76 2qpk n ASN 138 Ca 0.00 -0.83 -0.40 0.00 -0.03 0.00 0.00 54.58 53.32 2qpk n ASN 138 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 2qpk n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qpk n PHE 140 N 5.31 0.78 -1.85 0.00 7.35 -0.48 -1.83 117.46 126.73 2qpk n PHE 140 Ca -0.10 -3.71 -0.37 0.00 -0.76 0.00 0.00 57.45 52.50 2qpk n PHE 140 Cb 0.50 -0.21 0.04 0.00 0.35 0.00 0.00 39.48 40.16 2qpk n PHE 140 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2qpk s PRO 141 N -0.97 3.02 -0.52 -7.13 0.02 -1.26 -4.45 135.00 123.71 2qpk s PRO 141 Ca 0.33 2.08 -0.19 0.00 0.02 0.00 0.00 61.00 63.25 2qpk s PRO 141 Cb 0.07 -2.11 0.07 0.00 0.02 0.00 0.00 34.50 32.55 2qpk s PRO 141 CO -0.14 -1.24 0.61 0.42 -0.33 0.00 0.00 177.00 176.31 2qpk s ILE 142 N -1.39 4.92 0.43 2.83 1.01 -0.56 -4.95 121.20 123.48 2qpk s ILE 142 Ca 0.75 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 60.48 2qpk s ILE 142 Cb -0.37 -4.31 -0.08 0.00 0.01 0.00 0.00 42.46 37.70 2qpk s ILE 142 CO 0.42 -0.84 1.10 -0.04 0.00 0.00 0.00 174.94 175.58 2qpk s MET 143 N 2.49 3.97 0.13 2.79 -1.94 -1.26 -1.37 119.30 124.10 2qpk s MET 143 Ca 0.13 1.61 -0.23 0.00 -1.71 0.00 0.00 55.69 55.48 2qpk s MET 143 Cb -0.21 -2.45 -0.07 0.00 2.01 0.00 0.00 34.83 34.10 2qpk s MET 143 CO 0.10 -0.33 0.71 -0.06 -0.01 0.00 0.00 175.02 175.43 2qpk s PHE 144 N -1.64 3.86 1.10 -0.03 2.99 -0.99 -4.58 117.98 118.69 2qpk s PHE 144 Ca 0.61 1.51 -0.13 0.00 0.00 0.00 0.00 56.93 58.92 2qpk s PHE 144 Cb -0.24 -2.69 0.22 0.00 0.00 0.00 0.00 43.02 40.31 2qpk s PHE 144 CO 0.30 0.52 0.91 -2.30 -0.00 0.00 0.00 175.22 174.65 2qpk n PRO 145 N 1.74 -1.79 -2.07 0.24 -0.02 -1.26 -4.97 135.00 126.86 2qpk n PRO 145 Ca -0.07 -0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 60.59 2qpk n PRO 145 Cb 0.49 -2.16 0.02 0.00 -0.02 0.00 0.00 33.50 31.84 2qpk n PRO 145 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qpk s LYS 146 N -4.32 3.16 0.00 -0.52 -2.85 -1.26 -3.48 119.74 110.47 2qpk s LYS 146 Ca 0.66 1.49 0.00 0.00 -1.00 0.00 0.00 55.97 57.13 2qpk s LYS 146 Cb -0.23 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 33.55 2qpk s LYS 146 CO 0.64 -0.98 0.00 0.09 0.10 0.00 0.00 175.35 175.20 2qpk n ASN 147 N -1.75 -1.51 -4.68 0.03 5.03 -1.26 -5.02 115.26 106.10 2qpk n ASN 147 Ca 0.11 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.14 2qpk n ASN 147 Cb 0.51 -0.66 -0.04 0.00 -1.02 0.00 0.00 39.78 38.58 2qpk n ASN 147 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2qpk s ASP 148 N -2.47 7.02 0.65 6.41 -1.08 -1.23 -4.93 116.67 121.04 2qpk s ASP 148 Ca 0.00 1.25 0.43 0.00 -0.52 0.00 0.00 52.55 53.71 2qpk s ASP 148 Cb 0.00 -2.47 2.31 0.00 -1.46 0.00 0.00 42.92 41.30 2qpk s ASP 148 CO 0.00 -0.39 2.34 1.55 0.52 0.00 0.00 175.17 179.19 2qpk h PRO 149 N 7.25 0.00 0.00 4.34 0.13 -1.95 0.01 132.00 141.78 2qpk h PRO 149 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2qpk h PRO 149 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2qpk h PRO 149 CO 0.84 0.00 -0.06 0.87 -0.23 0.00 0.00 178.00 179.42 2qpk h LYS 150 N 0.00 0.00 -0.73 0.86 1.57 -1.94 -2.50 116.57 113.84 2qpk h LYS 150 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2qpk h LYS 150 Cb 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2qpk h LYS 150 CO 0.00 0.06 0.20 -0.07 -0.57 0.00 0.00 179.45 179.07 2qpk h LEU 151 N 0.00 1.08 -0.59 2.94 3.38 -1.14 1.92 115.31 122.89 2qpk h LEU 151 Ca -0.00 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.61 2qpk h LEU 151 Cb 0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2qpk h LEU 151 CO 0.01 1.02 -0.66 0.11 0.09 0.00 0.00 178.44 179.01 2qpk h LYS 152 N 1.09 0.00 0.00 1.13 1.57 -1.59 -3.37 116.57 115.41 2qpk h LYS 152 Ca 0.23 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.85 2qpk h LYS 152 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2qpk h LYS 152 CO -0.00 0.66 -1.77 2.41 -0.57 0.00 0.00 179.45 180.18 2qpk n THR 153 N -3.65 0.61 -0.03 -0.16 -1.04 -1.00 -4.89 114.28 104.12 2qpk n THR 153 Ca -0.01 -0.45 -0.04 0.00 -2.04 0.00 0.00 64.05 61.51 2qpk n THR 153 Cb 0.67 -0.44 -0.03 0.00 -1.82 0.00 0.00 70.33 68.71 2qpk n THR 153 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qpk n GLN 154 N -2.31 0.15 -1.26 -2.82 6.02 0.65 -5.06 117.38 112.74 2qpk n GLN 154 Ca -0.15 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 2qpk n GLN 154 Cb 0.74 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.89 2qpk n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qpk n GLY 155 N 3.19 0.05 0.02 1.08 0.00 -1.08 -4.93 105.19 103.51 2qpk n GLY 155 Ca -0.11 -1.27 0.11 0.00 0.00 0.00 0.00 46.02 44.75 2qpk n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qpk n LYS 156 N 0.00 0.41 -3.84 1.61 4.76 -1.26 -4.17 118.16 115.68 2qpk n LYS 156 Ca 0.00 -0.10 -0.09 0.00 -2.87 0.00 0.00 58.31 55.25 2qpk n LYS 156 Cb 0.00 -1.54 0.01 0.00 -1.84 0.00 0.00 35.03 31.66 2qpk n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qpk s MET 158 N -2.62 3.35 0.60 0.00 -1.94 -0.47 -4.96 119.30 113.25 2qpk s MET 158 Ca 0.16 -0.69 -0.18 0.00 -1.71 0.00 0.00 55.69 53.27 2qpk s MET 158 Cb -0.05 -2.67 -0.03 0.00 2.01 0.00 0.00 34.83 34.09 2qpk s MET 158 CO 0.11 0.13 1.16 -1.25 -0.01 0.00 0.00 175.02 175.16 2qpk s PRO 159 N 0.57 3.00 -0.26 2.03 0.04 -1.26 -1.50 135.00 137.62 2qpk s PRO 159 Ca -0.08 1.67 -0.17 0.00 0.04 0.00 0.00 61.00 62.46 2qpk s PRO 159 Cb -0.16 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.51 2qpk s PRO 159 CO 0.03 -1.14 0.64 0.12 0.04 0.00 0.00 177.00 176.69 2qpk s PHE 160 N -1.83 -0.93 -0.07 0.56 5.36 -1.26 -4.81 117.98 115.00 2qpk s PHE 160 Ca 0.74 1.94 0.03 0.00 -0.96 0.00 0.00 56.93 58.68 2qpk s PHE 160 Cb -0.26 0.50 -0.02 0.00 -0.34 0.00 0.00 43.02 42.90 2qpk s PHE 160 CO 0.33 -0.46 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.41 2qpk s PHE 161 N 1.33 2.67 0.62 10.12 0.40 -1.26 -1.39 117.98 130.47 2qpk s PHE 161 Ca -0.08 -0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 55.67 2qpk s PHE 161 Cb -0.05 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 2qpk s PHE 161 CO -0.14 0.00 1.29 1.03 0.70 0.00 0.00 175.22 178.09 2qpk s ARG 162 N -0.34 2.72 0.35 0.44 0.52 -0.30 -4.67 118.95 117.68 2qpk s ARG 162 Ca 0.03 2.04 -0.27 0.00 -0.52 0.00 0.00 55.73 57.01 2qpk s ARG 162 Cb -0.13 -1.92 -0.09 0.00 0.52 0.00 0.00 34.95 33.33 2qpk s ARG 162 CO 0.02 -1.46 1.22 0.00 0.02 0.00 0.00 175.30 175.11 2qpk s ALA 163 N -1.42 3.34 1.12 2.13 0.00 -1.26 -1.62 121.76 124.05 2qpk s ALA 163 Ca 0.80 1.10 -0.18 0.00 0.00 0.00 0.00 51.96 53.68 2qpk s ALA 163 Cb -0.37 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.45 2qpk s ALA 163 CO 0.40 -0.54 0.10 0.41 0.00 0.00 0.00 175.76 176.12 2qpk n GLY 164 N 0.80 -2.45 3.46 0.00 0.00 0.30 -4.69 105.19 102.62 2qpk n GLY 164 Ca 0.02 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2qpk n GLY 164 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qpk s PHE 165 N -2.25 0.07 0.98 1.61 -0.12 -1.26 -3.39 117.98 113.61 2qpk s PHE 165 Ca 0.57 -0.42 -0.16 0.00 -0.05 0.00 0.00 56.93 56.87 2qpk s PHE 165 Cb -0.13 0.23 0.25 0.00 -0.63 0.00 0.00 43.02 42.74 2qpk s PHE 165 CO 0.66 -0.85 0.76 1.33 -0.05 0.00 0.00 175.22 177.07 2qpk n VAL 166 N -0.30 0.00 0.00 -2.49 0.24 0.17 -4.46 118.33 111.49 2qpk n VAL 166 Ca -0.09 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2qpk n VAL 166 Cb 0.63 -1.03 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 2qpk n VAL 166 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qpk n PRO 168 N 13.75 0.00 0.00 0.00 -0.02 -1.26 -3.97 135.00 143.50 2qpk n PRO 168 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2qpk n PRO 168 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2qpk n PRO 168 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2qpk n THR 169 N 0.00 0.00 -0.58 3.45 5.66 -1.26 -4.81 114.28 116.74 2qpk n THR 169 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 2qpk n THR 169 Cb 0.00 0.00 0.17 0.00 -1.55 0.00 0.00 70.33 68.95 2qpk n THR 169 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2qpk n PRO 170 N -0.55 -2.97 -1.55 1.09 -0.02 -1.26 -4.88 135.00 124.87 2qpk n PRO 170 Ca 0.00 -1.05 -0.14 0.00 -2.02 0.00 0.00 63.50 60.29 2qpk n PRO 170 Cb 0.00 -1.12 -0.09 0.00 -0.02 0.00 0.00 33.50 32.27 2qpk n PRO 170 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qpk n PRO 171 N -3.97 0.44 -1.99 0.52 -0.02 -1.26 -4.96 135.00 123.77 2qpk n PRO 171 Ca 0.09 -0.84 -0.30 0.00 -2.02 0.00 0.00 63.50 60.44 2qpk n PRO 171 Cb 0.38 -3.39 0.03 0.00 -0.02 0.00 0.00 33.50 30.51 2qpk n PRO 171 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2qpk s TYR 172 N 13.30 3.40 0.00 6.00 5.04 -1.26 -5.05 117.35 138.78 2qpk s TYR 172 Ca 0.95 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 2qpk s TYR 172 Cb -0.20 -2.91 0.00 0.00 0.35 0.00 0.00 41.96 39.20 2qpk s TYR 172 CO 0.15 -0.98 0.02 0.00 -1.34 0.00 0.00 175.55 173.40 2qpk n GLN 173 N -2.85 0.10 0.05 4.97 10.64 -1.26 -5.09 117.38 123.94 2qpk n GLN 173 Ca 0.06 -0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 2qpk n GLN 173 Cb 0.56 -0.34 0.00 0.00 -0.86 0.00 0.00 30.24 29.61 2qpk n GLN 173 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2qpk n SER 174 N -0.02 0.33 -4.71 2.61 3.41 -1.26 -5.08 113.62 108.91 2qpk n SER 174 Ca 0.00 0.16 -0.30 0.00 -0.26 0.00 0.00 58.87 58.47 2qpk n SER 174 Cb 0.15 -0.02 0.14 0.00 -0.26 0.00 0.00 64.21 64.22 2qpk n SER 174 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2qpk s LEU 175 N -6.10 2.19 0.54 1.04 2.96 -1.26 -4.93 118.68 113.13 2qpk s LEU 175 Ca 0.00 1.48 -0.20 0.00 -0.22 0.00 0.00 54.13 55.19 2qpk s LEU 175 Cb 0.00 -3.88 -0.05 0.00 0.50 0.00 0.00 46.19 42.76 2qpk s LEU 175 CO 0.00 -2.72 1.18 0.00 -1.32 0.00 0.00 176.35 173.48 2qpk s ALA 176 N -2.92 2.71 0.01 5.97 0.00 -1.26 -4.93 121.76 121.35 2qpk s ALA 176 Ca 0.64 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 53.23 2qpk s ALA 176 Cb -0.18 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 2qpk s ALA 176 CO 0.57 -0.91 1.43 0.50 0.00 0.00 0.00 175.76 177.35 2qpk s ARG 177 N -3.16 4.27 -0.17 0.00 3.52 -0.03 -5.02 118.95 118.37 2qpk s ARG 177 Ca 0.73 2.02 0.01 0.00 -0.13 0.00 0.00 55.73 58.35 2qpk s ARG 177 Cb -0.28 -3.56 0.01 0.00 -1.56 0.00 0.00 34.95 29.56 2qpk s ARG 177 CO 0.32 -0.59 -0.19 -1.21 -0.81 0.00 0.00 175.30 172.82 2qpk s GLU 178 N 2.36 3.04 0.72 5.12 0.41 -1.26 -4.98 118.70 124.11 2qpk s GLU 178 Ca 0.65 -0.82 -0.12 0.00 -0.41 0.00 0.00 54.97 54.27 2qpk s GLU 178 Cb -0.33 -2.56 0.03 0.00 -1.78 0.00 0.00 34.13 29.49 2qpk s GLU 178 CO 0.27 -0.13 1.09 -0.65 -0.49 0.00 0.00 175.26 175.35 2qpk s GLN 179 N 1.13 2.61 0.08 1.61 1.11 -1.26 -0.66 119.66 124.27 2qpk s GLN 179 Ca 0.01 1.18 -0.07 0.00 0.01 0.00 0.00 55.36 56.49 2qpk s GLN 179 Cb -0.14 -1.94 -0.05 0.00 -1.01 0.00 0.00 33.01 29.87 2qpk s GLN 179 CO -0.08 -1.37 0.35 0.42 0.01 0.00 0.00 175.29 174.61 2qpk s ILE 180 N -2.76 5.18 -0.33 1.08 1.01 -1.22 -1.91 121.20 122.26 2qpk s ILE 180 Ca 0.62 0.23 -0.08 0.00 0.00 0.00 0.00 60.65 61.42 2qpk s ILE 180 Cb -0.17 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.70 2qpk s ILE 180 CO 0.51 0.24 0.12 0.21 0.00 0.00 0.00 174.94 176.01 2qpk s ASN 181 N -1.95 5.33 0.00 3.58 3.84 -0.27 -3.87 114.94 121.61 2qpk s ASN 181 Ca 0.34 -0.91 0.32 0.00 0.21 0.00 0.00 52.86 52.82 2qpk s ASN 181 Cb -0.13 -1.91 1.85 0.00 -0.55 0.00 0.00 41.25 40.51 2qpk s ASN 181 CO 0.20 -0.28 2.20 0.00 -2.79 0.00 0.00 177.10 176.42 2qpk n ALA 182 N 4.88 2.68 -2.52 1.71 0.00 0.22 -0.32 120.51 127.17 2qpk n ALA 182 Ca -0.13 -0.21 -0.24 0.00 0.00 0.00 0.00 53.44 52.85 2qpk n ALA 182 Cb 0.46 -1.50 -0.11 0.00 0.00 0.00 0.00 19.45 18.31 2qpk n ALA 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2qpk s VAL 183 N -2.00 1.56 0.27 0.00 -7.23 -1.26 -4.28 120.40 107.46 2qpk s VAL 183 Ca 0.47 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 2qpk s VAL 183 Cb 0.22 -2.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.21 2qpk s VAL 183 CO 0.37 -0.02 1.10 0.42 -0.31 0.00 0.00 175.10 176.66 2qpk s THR 184 N -3.03 3.50 -0.02 5.32 -4.23 -1.26 -4.18 115.64 111.73 2qpk s THR 184 Ca 0.35 1.49 0.31 0.00 -1.18 0.00 0.00 61.69 62.66 2qpk s THR 184 Cb 0.09 -3.95 0.38 0.00 1.34 0.00 0.00 72.50 70.36 2qpk s THR 184 CO 0.16 0.35 1.90 0.28 -0.54 0.00 0.00 174.62 176.77 2qpk h SER 185 N 3.92 0.00 -3.92 3.99 0.02 -1.52 -3.40 113.55 112.64 2qpk h SER 185 Ca -0.47 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 59.99 2qpk h SER 185 Cb 1.21 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.77 2qpk h SER 185 CO 0.67 0.01 0.43 -0.36 -1.14 0.00 0.00 176.83 176.44 2qpk s PHE 186 N -3.56 3.33 -0.92 3.45 0.40 -1.26 -4.80 117.98 114.62 2qpk s PHE 186 Ca 0.02 1.65 -0.24 0.00 -0.60 0.00 0.00 56.93 57.76 2qpk s PHE 186 Cb 0.08 -3.19 0.04 0.00 0.51 0.00 0.00 43.02 40.46 2qpk s PHE 186 CO 0.57 -0.66 1.45 -1.17 0.70 0.00 0.00 175.22 176.11 2qpk s LEU 187 N -2.33 3.37 -0.03 -0.37 0.20 -1.26 -4.69 118.68 113.56 2qpk s LEU 187 Ca 0.54 -1.05 0.05 0.00 0.69 0.00 0.00 54.13 54.37 2qpk s LEU 187 Cb -0.25 -2.57 0.07 0.00 -0.43 0.00 0.00 46.19 43.02 2qpk s LEU 187 CO 0.32 -1.72 1.03 -0.90 -0.29 0.00 0.00 176.35 174.79 2qpk n ASP 188 N 9.49 0.62 -1.84 3.68 5.68 -1.26 -4.74 116.55 128.17 2qpk n ASP 188 Ca 0.24 -2.26 -0.16 0.00 -0.50 0.00 0.00 54.79 52.11 2qpk n ASP 188 Cb 0.50 -0.25 -0.01 0.00 -1.14 0.00 0.00 41.12 40.22 2qpk n ASP 188 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qpk n ALA 189 N -0.38 -0.47 0.31 2.12 0.00 -1.26 -4.69 120.51 116.14 2qpk n ALA 189 Ca 0.04 0.14 0.20 0.00 0.00 0.00 0.00 53.44 53.82 2qpk n ALA 189 Cb 0.68 -1.83 1.02 0.00 0.00 0.00 0.00 19.45 19.31 2qpk n ALA 189 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qpk h SER 190 N 0.00 0.00 0.84 0.00 4.64 -1.85 -1.04 113.55 116.15 2qpk h SER 190 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2qpk h SER 190 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2qpk h SER 190 CO 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.42 2qpk n LEU 191 N -2.95 0.28 -0.12 5.97 -0.00 -1.26 -0.62 117.00 118.30 2qpk n LEU 191 Ca -0.02 0.55 -0.23 0.00 -0.00 0.00 0.00 56.01 56.31 2qpk n LEU 191 Cb 0.12 -0.49 -0.11 0.00 -0.00 0.00 0.00 43.42 42.94 2qpk n LEU 191 CO 0.20 -0.24 -1.30 0.52 -0.00 0.00 0.00 177.39 176.57 2qpk n VAL 192 N -1.79 1.53 0.05 1.47 0.31 -0.42 -2.54 118.33 116.94 2qpk n VAL 192 Ca 0.04 -0.48 0.11 0.00 -0.01 0.00 0.00 64.34 64.00 2qpk n VAL 192 Cb 0.27 -1.65 -0.09 0.00 -0.91 0.00 0.00 33.84 31.47 2qpk n VAL 192 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2qpk n TYR 193 N -3.70 0.48 0.00 3.52 4.02 -1.01 -3.21 117.16 117.26 2qpk n TYR 193 Ca -0.47 0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 2qpk n TYR 193 Cb 0.94 -0.73 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 2qpk n TYR 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qpk n GLY 194 N 1.23 1.78 0.07 2.72 0.00 0.21 -3.70 105.19 107.50 2qpk n GLY 194 Ca -0.02 -1.98 0.01 0.00 0.00 0.00 0.00 46.02 44.03 2qpk n GLY 194 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qpk n SER 195 N 0.00 0.89 -4.18 1.61 7.64 -1.26 -4.71 113.62 113.61 2qpk n SER 195 Ca 0.00 -0.94 -0.27 0.00 1.01 0.00 0.00 58.87 58.67 2qpk n SER 195 Cb 0.00 0.29 -0.16 0.00 -1.01 0.00 0.00 64.21 63.33 2qpk n SER 195 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2qpk s GLU 196 N -0.49 1.76 0.00 1.43 2.02 -1.26 -3.87 118.70 118.29 2qpk s GLU 196 Ca 0.02 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.34 2qpk s GLU 196 Cb 0.02 -1.60 0.00 0.00 0.10 0.00 0.00 34.13 32.65 2qpk s GLU 196 CO 0.05 0.34 0.00 -2.30 0.02 0.00 0.00 175.26 173.36 2qpk n PRO 197 N 2.88 0.00 0.00 0.39 -0.02 -1.26 -0.57 135.00 136.42 2qpk n PRO 197 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2qpk n PRO 197 Cb 0.53 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 2qpk n PRO 197 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2qpk n LEU 199 N 1.30 0.00 -0.31 2.45 7.94 -1.26 -1.88 117.00 125.24 2qpk n LEU 199 Ca 0.00 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.06 2qpk n LEU 199 Cb 0.00 0.00 0.35 0.00 0.53 0.00 0.00 43.42 44.30 2qpk n LEU 199 CO 0.00 0.00 1.03 0.00 -1.11 0.00 0.00 177.39 177.31 2qpk h ALA 200 N 0.00 1.53 -0.24 1.96 0.00 -0.91 -1.25 119.26 120.35 2qpk h ALA 200 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 2qpk h ALA 200 Cb 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qpk h ALA 200 CO 0.00 -0.44 -0.55 1.03 0.00 0.00 0.00 179.25 179.29 2qpk h SER 201 N 0.32 0.80 1.06 0.00 0.87 -1.62 -3.07 113.55 111.92 2qpk h SER 201 Ca 0.61 -0.43 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2qpk h SER 201 Cb 1.25 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2qpk h SER 201 CO -0.59 1.18 -0.10 -0.09 -0.53 0.00 0.00 176.83 176.70 2qpk h ARG 202 N 0.55 0.00 0.00 2.24 2.43 -1.53 -2.72 114.38 115.35 2qpk h ARG 202 Ca 0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2qpk h ARG 202 Cb 1.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2qpk h ARG 202 CO 0.11 0.10 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.39 2qpk h LEU 203 N 0.00 0.00-10.17 3.80 4.07 -1.18 -3.47 115.31 108.36 2qpk h LEU 203 Ca -0.00 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.47 2qpk h LEU 203 Cb 0.66 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.41 2qpk h LEU 203 CO 0.01 0.15 0.16 -0.13 -1.08 0.00 0.00 178.44 177.55 2qpk s ARG 204 N -3.14 3.78 -0.75 1.13 0.52 -1.03 -0.25 118.95 119.21 2qpk s ARG 204 Ca 0.06 0.52 -0.17 0.00 -0.52 0.00 0.00 55.73 55.61 2qpk s ARG 204 Cb 0.06 -2.35 0.14 0.00 0.52 0.00 0.00 34.95 33.32 2qpk s ARG 204 CO 0.70 -0.09 0.83 1.21 0.02 0.00 0.00 175.30 177.98 2qpk s ASN 205 N -3.22 6.47 0.00 0.23 3.84 -0.05 -4.33 114.94 117.88 2qpk s ASN 205 Ca 0.52 -1.96 0.23 0.00 0.21 0.00 0.00 52.86 51.86 2qpk s ASN 205 Cb -0.10 -2.30 0.51 0.00 -0.55 0.00 0.00 41.25 38.81 2qpk s ASN 205 CO 0.33 -0.94 1.44 0.18 -2.79 0.00 0.00 177.10 175.31 2qpk n LEU 206 N 5.71 2.83 -0.47 3.21 4.77 -1.26 -3.90 117.00 127.88 2qpk n LEU 206 Ca 0.06 -1.17 0.13 0.00 -0.03 0.00 0.00 56.01 55.00 2qpk n LEU 206 Cb 0.45 -0.17 0.33 0.00 -2.33 0.00 0.00 43.42 41.71 2qpk n LEU 206 CO 0.49 0.58 0.68 -1.54 -1.33 0.00 0.00 177.39 176.27 2qpk n SER 207 N 1.10 1.64 -4.07 -1.43 3.41 -1.26 -4.82 113.62 108.19 2qpk n SER 207 Ca 0.18 -1.37 -0.23 0.00 -0.26 0.00 0.00 58.87 57.19 2qpk n SER 207 Cb 0.52 0.12 -0.16 0.00 -0.26 0.00 0.00 64.21 64.43 2qpk n SER 207 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2qpk s SER 208 N -2.24 1.64 -0.06 4.04 0.15 -1.25 -5.04 113.70 110.94 2qpk s SER 208 Ca 0.29 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2qpk s SER 208 Cb 0.20 -0.41 0.07 0.00 -1.71 0.00 0.00 66.02 64.18 2qpk s SER 208 CO 0.43 0.12 1.35 -0.81 1.20 0.00 0.00 173.24 175.52 2qpk n PRO 209 N 3.15 1.16 0.00 5.44 -0.04 -1.26 -4.15 135.00 139.30 2qpk n PRO 209 Ca -0.18 -0.37 0.10 0.00 -0.04 0.00 0.00 63.50 63.01 2qpk n PRO 209 Cb 0.54 -1.15 0.06 0.00 -0.04 0.00 0.00 33.50 32.92 2qpk n PRO 209 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qpk n LEU 210 N 0.54 2.47 -1.68 1.53 4.77 -1.26 -2.93 117.00 120.45 2qpk n LEU 210 Ca 0.07 -0.94 -0.13 0.00 -0.03 0.00 0.00 56.01 54.98 2qpk n LEU 210 Cb 0.61 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.71 2qpk n LEU 210 CO 0.08 0.43 -0.09 0.61 -1.33 0.00 0.00 177.39 177.09 2qpk n GLY 211 N 1.17 -0.11 3.97 -0.72 0.00 -1.25 -4.73 105.19 103.53 2qpk n GLY 211 Ca 0.11 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 2qpk n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qpk s LEU 212 N -3.95 3.98 0.14 0.99 1.43 -1.26 -3.98 118.68 116.03 2qpk s LEU 212 Ca 0.08 0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.14 2qpk s LEU 212 Cb -0.04 -2.93 -0.06 0.00 0.03 0.00 0.00 46.19 43.19 2qpk s LEU 212 CO 0.10 -0.40 0.44 -0.04 0.23 0.00 0.00 176.35 176.69 2qpk s MET 213 N -4.23 3.75 0.49 1.70 -1.94 -1.26 -0.87 119.30 116.93 2qpk s MET 213 Ca 0.43 0.15 -0.24 0.00 -1.71 0.00 0.00 55.69 54.32 2qpk s MET 213 Cb -0.10 -2.86 -0.07 0.00 2.01 0.00 0.00 34.83 33.81 2qpk s MET 213 CO 0.33 0.47 1.32 0.00 -0.01 0.00 0.00 175.02 177.12 2qpk n ALA 214 N 0.40 1.48 -2.36 3.03 0.00 0.65 -4.54 120.51 119.18 2qpk n ALA 214 Ca -0.04 0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 2qpk n ALA 214 Cb 0.52 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 2qpk n ALA 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2qpk s VAL 215 N -1.25 1.25 0.42 0.00 -7.23 -1.26 -4.50 120.40 107.82 2qpk s VAL 215 Ca 0.66 -2.06 -0.26 0.00 -1.81 0.00 0.00 61.98 58.50 2qpk s VAL 215 Cb -0.46 -2.37 -0.09 0.00 0.56 0.00 0.00 36.38 34.02 2qpk s VAL 215 CO 0.54 -0.33 1.46 0.21 -0.31 0.00 0.00 175.10 176.67 2qpk s ASN 216 N -3.35 6.06 -0.01 4.85 3.84 -0.31 -4.58 114.94 121.44 2qpk s ASN 216 Ca 0.28 2.98 0.13 0.00 0.21 0.00 0.00 52.86 56.47 2qpk s ASN 216 Cb 0.05 -2.66 -0.18 0.00 -0.55 0.00 0.00 41.25 37.91 2qpk s ASN 216 CO 0.10 -1.06 0.37 0.00 -2.79 0.00 0.00 177.10 173.72 2qpk n GLN 217 N 0.07 1.30 0.05 0.43 1.13 -1.26 -4.56 117.38 114.54 2qpk n GLN 217 Ca 0.03 -0.07 0.12 0.00 -1.94 0.00 0.00 57.00 55.14 2qpk n GLN 217 Cb 0.41 -1.23 0.14 0.00 0.11 0.00 0.00 30.24 29.67 2qpk n GLN 217 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2qpk n GLU 218 N -1.71 0.27 -3.71 -1.09 -0.58 -1.26 -4.96 120.64 107.61 2qpk n GLU 218 Ca -0.01 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.65 2qpk n GLU 218 Cb 0.28 -1.65 -0.08 0.00 -0.57 0.00 0.00 31.44 29.42 2qpk n GLU 218 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qpk s ALA 219 N -3.16 -1.01 0.09 0.62 0.00 -1.26 -5.17 121.76 111.86 2qpk s ALA 219 Ca 0.06 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.61 2qpk s ALA 219 Cb 0.14 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2qpk s ALA 219 CO 0.74 -0.28 -0.07 -1.58 0.00 0.00 0.00 175.76 174.57 2qpk s TRP 220 N -1.24 0.83 -0.67 0.00 0.52 -1.26 -4.54 118.94 112.59 2qpk s TRP 220 Ca -0.12 -0.84 -0.01 0.00 0.02 0.00 0.00 56.10 55.15 2qpk s TRP 220 Cb -0.04 -0.49 0.17 0.00 -1.15 0.00 0.00 33.47 31.96 2qpk s TRP 220 CO 0.05 -0.15 0.48 0.34 0.02 0.00 0.00 176.95 177.70 2qpk s ASP 221 N -2.76 5.18 -1.49 2.95 2.15 0.22 -4.72 116.67 118.21 2qpk s ASP 221 Ca 0.07 -3.17 -0.02 0.00 0.43 0.00 0.00 52.55 49.87 2qpk s ASP 221 Cb 0.02 -1.81 0.02 0.00 -0.30 0.00 0.00 42.92 40.86 2qpk s ASP 221 CO -0.04 -0.28 0.31 1.41 -0.17 0.00 0.00 175.17 176.40 2qpk n HIS 222 N 3.02 -1.51 -0.82 -5.34 8.25 -1.26 0.65 115.22 118.20 2qpk n HIS 222 Ca 0.11 0.70 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 2qpk n HIS 222 Cb 0.36 -3.32 0.00 0.00 1.12 0.00 0.00 29.99 28.15 2qpk n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qpk n GLY 223 N -2.13 0.87 3.77 -1.41 0.00 -1.26 -5.05 105.19 99.98 2qpk n GLY 223 Ca -0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 2qpk n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qpk s LEU 224 N 0.00 3.74 0.66 0.99 1.43 0.21 -5.11 118.68 120.61 2qpk s LEU 224 Ca 0.00 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 2qpk s LEU 224 Cb 0.00 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 2qpk s LEU 224 CO 0.00 0.14 1.09 0.00 0.23 0.00 0.00 176.35 177.80 2qpk s ALA 225 N -1.51 2.54 0.27 4.21 0.00 -1.26 -0.61 121.76 125.39 2qpk s ALA 225 Ca 0.29 0.41 0.12 0.00 0.00 0.00 0.00 51.96 52.78 2qpk s ALA 225 Cb -0.11 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 2qpk s ALA 225 CO 0.22 -1.21 -0.20 0.71 0.00 0.00 0.00 175.76 175.27 2qpk s TYR 226 N -2.53 2.27 0.54 0.00 4.12 -1.26 -4.77 117.35 115.72 2qpk s TYR 226 Ca 0.64 -0.34 -0.19 0.00 0.02 0.00 0.00 57.07 57.20 2qpk s TYR 226 Cb -0.18 -1.00 -0.06 0.00 -1.52 0.00 0.00 41.96 39.20 2qpk s TYR 226 CO 0.44 0.68 1.10 -0.51 0.02 0.00 0.00 175.55 177.28 2qpk s LEU 227 N -3.40 3.72 0.80 -1.29 1.43 -1.26 -1.16 118.68 117.52 2qpk s LEU 227 Ca 0.29 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 55.35 2qpk s LEU 227 Cb -0.05 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.68 2qpk s LEU 227 CO 0.14 -1.16 1.16 -2.16 0.23 0.00 0.00 176.35 174.56 2qpk s PRO 228 N -3.40 1.77 0.54 1.29 0.04 -1.26 -4.09 135.00 129.89 2qpk s PRO 228 Ca 0.70 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 2qpk s PRO 228 Cb -0.21 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2qpk s PRO 228 CO 0.27 -2.08 0.94 -0.06 0.04 0.00 0.00 177.00 176.12 2qpk s PHE 229 N -2.40 3.55 0.20 0.56 0.08 -1.26 0.29 117.98 119.00 2qpk s PHE 229 Ca 0.69 1.22 -0.22 0.00 0.12 0.00 0.00 56.93 58.74 2qpk s PHE 229 Cb -0.24 -2.63 -0.08 0.00 -0.57 0.00 0.00 43.02 39.49 2qpk s PHE 229 CO 0.52 -0.45 0.76 1.21 -0.10 0.00 0.00 175.22 177.15 2qpk s ASN 230 N -3.73 7.22 0.08 1.36 3.84 -0.64 -4.48 114.94 118.60 2qpk s ASN 230 Ca 0.54 1.54 -0.29 0.00 0.21 0.00 0.00 52.86 54.86 2qpk s ASN 230 Cb -0.10 -2.46 -0.17 0.00 -0.55 0.00 0.00 41.25 37.96 2qpk s ASN 230 CO 0.43 0.11 1.67 0.78 -2.79 0.00 0.00 177.10 177.31 2qpk h ASN 231 N 3.83 -0.45 -2.17 -4.21 4.21 -1.96 -3.46 115.58 111.36 2qpk h ASN 231 Ca -0.48 0.02 -0.60 0.00 1.21 0.00 0.00 56.30 56.45 2qpk h ASN 231 Cb 1.20 0.12 0.05 0.00 -1.12 0.00 0.00 38.32 38.57 2qpk h ASN 231 CO 0.65 -0.32 0.82 1.17 -1.29 0.00 0.00 177.43 178.47 2qpk n LYS 232 N -5.32 2.06 -4.72 0.81 4.81 -1.26 -5.04 118.16 109.50 2qpk n LYS 232 Ca -0.11 0.74 -0.24 0.00 -0.87 0.00 0.00 58.31 57.83 2qpk n LYS 232 Cb 0.23 -2.52 -0.15 0.00 0.02 0.00 0.00 35.03 32.62 2qpk n LYS 232 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2qpk s LYS 233 N 1.46 1.35 0.39 1.64 1.02 -1.26 -3.82 119.74 120.52 2qpk s LYS 233 Ca 0.82 -0.74 -0.24 0.00 0.02 0.00 0.00 55.97 55.83 2qpk s LYS 233 Cb -0.71 -1.36 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 2qpk s LYS 233 CO 0.41 0.36 1.04 -1.25 -0.92 0.00 0.00 175.35 174.99 2qpk s PRO 234 N -0.73 4.22 -0.10 -1.68 0.04 -1.26 -5.17 135.00 130.31 2qpk s PRO 234 Ca 0.06 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.61 2qpk s PRO 234 Cb -0.07 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 2qpk s PRO 234 CO 0.00 -0.09 -0.12 -1.54 0.04 0.00 0.00 177.00 175.29 2qpk s SER 235 N -1.56 4.15 0.60 6.66 1.04 -1.25 -5.01 113.70 118.33 2qpk s SER 235 Ca 0.57 -0.24 0.36 0.00 0.48 0.00 0.00 55.95 57.12 2qpk s SER 235 Cb -0.22 -1.34 1.94 0.00 0.10 0.00 0.00 66.02 66.50 2qpk s SER 235 CO 0.27 0.24 2.24 1.55 0.98 0.00 0.00 173.24 178.52 2qpk h PRO 236 N 6.13 0.00 -0.20 4.02 0.13 -1.93 -2.73 132.00 137.42 2qpk h PRO 236 Ca -0.35 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.62 2qpk h PRO 236 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2qpk h PRO 236 CO 0.54 0.03 -0.54 0.00 -0.23 0.00 0.00 178.00 177.80 2qpk h GLU 238 N 0.45 0.00 -0.84 0.00 4.11 -1.34 -3.28 114.58 113.67 2qpk h GLU 238 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 2qpk h GLU 238 Cb 1.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 2qpk h GLU 238 CO 0.10 0.59 0.44 0.35 0.07 0.00 0.00 179.01 180.56 2qpk h PHE 239 N 0.00 1.16 0.00 2.06 3.57 -1.36 -2.27 116.94 120.11 2qpk h PHE 239 Ca -0.01 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2qpk h PHE 239 Cb 1.32 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2qpk h PHE 239 CO 0.00 0.82 0.00 0.44 -2.23 0.00 0.00 178.31 177.34 2qpk n ILE 240 N -4.33 0.81 -2.73 1.41 -6.64 -1.10 -3.98 119.36 102.79 2qpk n ILE 240 Ca 0.09 0.20 -0.04 0.00 -1.77 0.00 0.00 62.75 61.23 2qpk n ILE 240 Cb 0.11 -1.00 0.02 0.00 -1.44 0.00 0.00 39.64 37.34 2qpk n ILE 240 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 2qpk s ASN 241 N -2.68 -1.03 0.00 7.28 3.84 -0.92 -5.02 114.94 116.40 2qpk s ASN 241 Ca 0.10 -1.23 0.03 0.00 0.21 0.00 0.00 52.86 51.97 2qpk s ASN 241 Cb 0.08 1.35 0.13 0.00 -0.55 0.00 0.00 41.25 42.26 2qpk s ASN 241 CO 0.20 -0.04 1.00 0.35 -2.79 0.00 0.00 177.10 175.82 2qpk n THR 242 N 2.83 1.44 -0.08 -5.21 -2.24 -0.90 -1.47 114.28 108.64 2qpk n THR 242 Ca 0.16 0.36 -0.17 0.00 -2.27 0.00 0.00 64.05 62.12 2qpk n THR 242 Cb 0.59 -1.31 -0.12 0.00 -2.10 0.00 0.00 70.33 67.39 2qpk n THR 242 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2qpk h THR 243 N 0.00 1.33 -0.19 4.28 2.02 -1.95 -3.34 112.91 115.05 2qpk h THR 243 Ca 0.00 -2.22 -0.08 0.00 0.77 0.00 0.00 66.41 64.88 2qpk h THR 243 Cb 0.04 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 2qpk h THR 243 CO 0.00 0.45 -0.23 0.00 0.37 0.00 0.00 175.52 176.11 2qpk h ALA 244 N -0.26 1.25 -6.54 6.16 0.00 -1.80 -3.47 119.26 114.59 2qpk h ALA 244 Ca -0.16 -0.31 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 2qpk h ALA 244 Cb 1.10 -0.11 0.04 0.00 0.00 0.00 0.00 17.79 18.83 2qpk h ALA 244 CO -0.09 0.49 -0.97 -2.13 0.00 0.00 0.00 179.25 176.55 2qpk n ARG 245 N -4.16 -0.82 -3.92 0.00 0.63 -0.54 -4.96 116.66 102.88 2qpk n ARG 245 Ca -0.01 0.29 -0.35 0.00 -0.92 0.00 0.00 57.85 56.86 2qpk n ARG 245 Cb 0.37 -3.43 -0.14 0.00 0.45 0.00 0.00 32.46 29.70 2qpk n ARG 245 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2qpk s VAL 246 N -3.51 3.16 0.92 5.15 1.01 -1.26 -4.95 120.40 120.93 2qpk s VAL 246 Ca 0.48 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 2qpk s VAL 246 Cb -0.21 -2.52 0.15 0.00 0.00 0.00 0.00 36.38 33.79 2qpk s VAL 246 CO 0.91 0.31 1.09 -2.16 0.00 0.00 0.00 175.10 175.25 2qpk s PRO 247 N 1.41 1.02 0.98 2.72 0.04 -1.26 -2.88 135.00 137.03 2qpk s PRO 247 Ca 0.03 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 61.90 2qpk s PRO 247 Cb -0.15 -1.77 0.18 0.00 0.04 0.00 0.00 34.50 32.79 2qpk s PRO 247 CO -0.04 -2.44 1.08 0.00 0.04 0.00 0.00 177.00 175.64 2qpk s PHE 249 N -2.79 3.47 -0.30 0.00 0.40 -1.26 -1.61 117.98 115.88 2qpk s PHE 249 Ca 0.65 0.65 -0.07 0.00 -0.60 0.00 0.00 56.93 57.56 2qpk s PHE 249 Cb -0.20 -2.31 0.01 0.00 0.51 0.00 0.00 43.02 41.02 2qpk s PHE 249 CO 0.59 -0.32 0.09 -1.17 0.70 0.00 0.00 175.22 175.12 2qpk s LEU 250 N -4.70 3.91 0.34 -0.37 2.96 0.15 -4.46 118.68 116.49 2qpk s LEU 250 Ca 0.47 -0.68 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 2qpk s LEU 250 Cb -0.10 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 2qpk s LEU 250 CO 0.43 -0.20 0.21 0.00 -1.32 0.00 0.00 176.35 175.48 2qpk s ALA 251 N 1.52 2.09 -0.62 5.97 0.00 -1.26 -4.37 121.76 125.09 2qpk s ALA 251 Ca 0.03 -1.79 0.18 0.00 0.00 0.00 0.00 51.96 50.38 2qpk s ALA 251 Cb -0.17 1.25 0.81 0.00 0.00 0.00 0.00 23.12 25.00 2qpk s ALA 251 CO 0.03 -0.56 1.55 0.41 0.00 0.00 0.00 175.76 177.20 2qpk n GLY 252 N -0.66 -1.03 3.11 0.00 0.00 -1.12 -4.56 105.19 100.93 2qpk n GLY 252 Ca 0.03 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2qpk n GLY 252 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qpk s ASP 253 N -3.74 1.73 0.11 1.61 2.15 -1.05 -3.69 116.67 113.78 2qpk s ASP 253 Ca 0.03 -0.27 0.19 0.00 0.43 0.00 0.00 52.55 52.93 2qpk s ASP 253 Cb 0.08 -0.24 0.78 0.00 -0.30 0.00 0.00 42.92 43.24 2qpk s ASP 253 CO 0.27 0.17 1.58 0.49 -0.17 0.00 0.00 175.17 177.51 2qpk n PHE 254 N 2.80 0.33 1.17 -5.34 3.01 -1.26 -3.15 117.46 115.02 2qpk n PHE 254 Ca -0.15 0.13 0.12 0.00 1.01 0.00 0.00 57.45 58.56 2qpk n PHE 254 Cb 0.55 -0.71 0.24 0.00 -0.01 0.00 0.00 39.48 39.54 2qpk n PHE 254 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2qpk n ARG 255 N -1.80 1.39 -0.36 -1.08 1.74 -1.26 -4.60 116.66 110.69 2qpk n ARG 255 Ca 0.03 -1.01 0.33 0.00 -0.77 0.00 0.00 57.85 56.44 2qpk n ARG 255 Cb 0.20 -1.48 0.60 0.00 -1.02 0.00 0.00 32.46 30.77 2qpk n ARG 255 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qpk h ALA 256 N 4.07 2.32 -0.37 7.54 0.00 -1.92 0.76 119.26 131.66 2qpk h ALA 256 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qpk h ALA 256 Cb 0.67 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2qpk h ALA 256 CO 0.00 -1.07 0.00 0.43 0.00 0.00 0.00 179.25 178.61 2qpk n SER 257 N -5.12 2.58 -0.16 0.00 7.64 -1.26 -2.48 113.62 114.82 2qpk n SER 257 Ca 0.38 -1.91 0.24 0.00 1.01 0.00 0.00 58.87 58.60 2qpk n SER 257 Cb 1.34 -0.24 0.66 0.00 -1.01 0.00 0.00 64.21 64.95 2qpk n SER 257 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2qpk h GLU 258 N 3.12 0.10 -2.44 1.43 4.22 -1.18 -2.34 114.58 117.49 2qpk h GLU 258 Ca 0.00 -0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.35 2qpk h GLU 258 Cb 0.70 -0.02 -0.21 0.00 0.50 0.00 0.00 28.75 29.72 2qpk h GLU 258 CO 0.00 0.07 -0.03 1.14 -2.18 0.00 0.00 179.01 178.00 2qpk s GLN 259 N -5.10 0.81 0.51 1.92 1.03 -1.26 -1.67 119.66 115.90 2qpk s GLN 259 Ca -0.06 0.30 0.20 0.00 0.04 0.00 0.00 55.36 55.84 2qpk s GLN 259 Cb 0.21 0.38 1.28 0.00 0.03 0.00 0.00 33.01 34.91 2qpk s GLN 259 CO 0.77 -0.20 2.05 0.97 -2.54 0.00 0.00 175.29 176.34 2qpk h ILE 260 N 3.68 0.87 0.00 3.63 2.10 -1.71 -1.22 117.51 124.86 2qpk h ILE 260 Ca -0.28 -0.03 -0.08 0.00 1.08 0.00 0.00 64.86 65.55 2qpk h ILE 260 Cb 1.16 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 37.67 2qpk h ILE 260 CO 0.31 0.01 -0.40 -0.07 -1.08 0.00 0.00 178.15 176.93 2qpk h LEU 261 N 0.07 0.00 -0.03 2.19 4.07 -1.94 -2.26 115.31 117.41 2qpk h LEU 261 Ca 0.16 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.98 2qpk h LEU 261 Cb 0.54 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.29 2qpk h LEU 261 CO -0.01 0.40 -0.53 0.25 -1.08 0.00 0.00 178.44 177.46 2qpk h LEU 262 N 0.00 0.52 -1.55 1.67 5.85 -1.52 -2.67 115.31 117.62 2qpk h LEU 262 Ca -0.00 -0.72 -0.01 0.00 0.84 0.00 0.00 57.88 57.99 2qpk h LEU 262 Cb 1.22 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2qpk h LEU 262 CO 0.05 1.17 0.15 0.00 -0.34 0.00 0.00 178.44 179.47 2qpk h ALA 263 N 0.37 1.65 -0.51 1.25 0.00 -1.11 -1.02 119.26 119.89 2qpk h ALA 263 Ca -0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2qpk h ALA 263 Cb 1.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2qpk h ALA 263 CO 0.11 0.29 0.07 1.15 0.00 0.00 0.00 179.25 180.86 2qpk h THR 264 N 0.46 1.25 -0.40 0.00 2.02 -1.34 -1.71 112.91 113.18 2qpk h THR 264 Ca 0.12 -0.96 -0.12 0.00 0.77 0.00 0.00 66.41 66.21 2qpk h THR 264 Cb 0.06 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2qpk h THR 264 CO -0.02 0.34 -0.24 0.00 0.37 0.00 0.00 175.52 175.97 2qpk h ALA 265 N 0.97 0.81 -0.76 6.16 0.00 -1.01 -2.34 119.26 123.09 2qpk h ALA 265 Ca 0.15 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2qpk h ALA 265 Cb 0.42 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2qpk h ALA 265 CO 0.01 0.65 0.50 0.45 0.00 0.00 0.00 179.25 180.86 2qpk h HIS 266 N 0.71 0.94 -0.49 0.00 3.86 -1.02 -2.41 115.15 116.74 2qpk h HIS 266 Ca 0.09 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 2qpk h HIS 266 Cb 0.77 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 2qpk h HIS 266 CO 0.04 0.58 -0.08 1.15 0.86 0.00 0.00 177.93 180.48 2qpk h THR 267 N 1.01 1.27 -0.41 2.45 2.02 -1.03 -1.27 112.91 116.94 2qpk h THR 267 Ca 0.29 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 66.27 2qpk h THR 267 Cb -0.07 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2qpk h THR 267 CO -0.07 0.42 0.26 -0.07 0.37 0.00 0.00 175.52 176.43 2qpk h LEU 268 N 0.78 0.45 -0.91 2.58 4.07 -1.16 -1.61 115.31 119.51 2qpk h LEU 268 Ca 0.13 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 58.00 2qpk h LEU 268 Cb 0.63 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 2qpk h LEU 268 CO 0.04 0.32 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.57 2qpk h LEU 269 N 0.54 0.69 -0.37 1.67 3.38 -1.36 -1.37 115.31 118.48 2qpk h LEU 269 Ca 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2qpk h LEU 269 Cb -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2qpk h LEU 269 CO -0.04 0.81 0.14 0.25 0.09 0.00 0.00 178.44 179.68 2qpk h LEU 270 N 0.65 0.53 -0.81 1.67 5.85 -0.94 -2.63 115.31 119.63 2qpk h LEU 270 Ca 0.12 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2qpk h LEU 270 Cb 0.53 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2qpk h LEU 270 CO 0.03 0.57 0.46 0.03 -0.34 0.00 0.00 178.44 179.19 2qpk h ARG 271 N 0.46 1.11 -0.70 1.25 3.08 -1.06 -2.36 114.38 116.16 2qpk h ARG 271 Ca 0.12 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2qpk h ARG 271 Cb 0.22 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2qpk h ARG 271 CO -0.01 0.81 0.36 1.49 -1.07 0.00 0.00 179.97 181.55 2qpk h GLU 272 N 1.11 0.98 -0.64 0.04 4.57 -1.07 0.16 114.58 119.74 2qpk h GLU 272 Ca 0.29 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 2qpk h GLU 272 Cb 0.00 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 2qpk h GLU 272 CO -0.05 0.74 0.34 1.25 -1.18 0.00 0.00 179.01 180.12 2qpk h HIS 273 N 0.99 0.88 -0.22 0.92 2.76 -1.06 0.91 115.15 120.33 2qpk h HIS 273 Ca 0.25 -0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.26 2qpk h HIS 273 Cb 0.07 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.75 2qpk h HIS 273 CO 0.01 0.64 -0.37 -0.91 -1.30 0.00 0.00 177.93 176.00 2qpk h ASN 274 N 0.87 0.70 -0.21 3.26 2.35 -1.22 -0.52 115.58 120.81 2qpk h ASN 274 Ca 0.22 -0.53 0.05 0.00 -0.55 0.00 0.00 56.30 55.49 2qpk h ASN 274 Cb 0.06 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.17 2qpk h ASN 274 CO -0.03 1.10 -0.12 -0.09 -1.65 0.00 0.00 177.43 176.63 2qpk h ARG 275 N 0.33 -0.10 -0.76 0.81 2.43 -0.51 -0.55 114.38 116.02 2qpk h ARG 275 Ca 0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2qpk h ARG 275 Cb 0.97 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 2qpk h ARG 275 CO 0.08 -0.07 0.44 -0.07 -1.51 0.00 0.00 179.97 178.84 2qpk h LEU 276 N -0.11 0.93 -0.55 3.80 4.07 -0.77 -0.84 115.31 121.84 2qpk h LEU 276 Ca 0.12 -0.08 -0.16 0.00 0.08 0.00 0.00 57.88 57.84 2qpk h LEU 276 Cb 0.28 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2qpk h LEU 276 CO -0.28 0.74 -0.60 0.00 -1.08 0.00 0.00 178.44 177.22 2qpk h ALA 277 N 1.23 0.74 0.00 1.53 0.00 -0.71 -0.28 119.26 121.77 2qpk h ALA 277 Ca 0.27 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 2qpk h ALA 277 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2qpk h ALA 277 CO -0.05 0.71 -0.90 0.07 0.00 0.00 0.00 179.25 179.09 2qpk h ARG 278 N 0.30 0.00 -0.10 0.00 0.11 -0.96 -2.03 114.38 111.70 2qpk h ARG 278 Ca -0.00 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 2qpk h ARG 278 Cb 1.13 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.20 2qpk h ARG 278 CO 0.10 0.78 -0.58 1.49 0.10 0.00 0.00 179.97 181.87 2qpk h GLU 279 N 0.00 0.30 0.00 0.08 4.57 -1.05 -2.65 114.58 115.84 2qpk h GLU 279 Ca -0.03 -0.20 -0.14 0.00 -1.18 0.00 0.00 59.36 57.81 2qpk h GLU 279 Cb 1.65 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 30.25 2qpk h GLU 279 CO 0.10 0.79 -0.66 -0.07 -1.18 0.00 0.00 179.01 177.99 2qpk h LEU 280 N 0.23 0.00 -1.32 1.64 3.38 -0.99 -3.03 115.31 115.22 2qpk h LEU 280 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2qpk h LEU 280 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2qpk h LEU 280 CO 0.09 0.66 -0.10 0.50 0.09 0.00 0.00 178.44 179.69 2qpk h LYS 281 N 0.00 0.00 0.07 1.13 1.63 -1.02 -1.99 116.57 116.39 2qpk h LYS 281 Ca -0.01 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.54 2qpk h LYS 281 Cb 1.33 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.97 2qpk h LYS 281 CO 0.09 0.10 -1.10 -0.22 -3.45 0.00 0.00 179.45 174.86 2qpk h LYS 282 N 0.00 0.37 0.00 1.90 3.64 -1.38 -3.11 116.57 117.99 2qpk h LYS 282 Ca -0.00 -0.50 -0.19 0.00 -1.27 0.00 0.00 60.65 58.69 2qpk h LYS 282 Cb 0.61 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 2qpk h LYS 282 CO 0.01 1.18 -1.34 -0.07 -2.27 0.00 0.00 179.45 176.97 2qpk h LEU 283 N 0.17 0.00 -6.31 5.20 3.38 -1.52 -3.40 115.31 112.83 2qpk h LEU 283 Ca -0.12 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.27 2qpk h LEU 283 Cb 1.78 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.13 2qpk h LEU 283 CO 0.19 0.71 -0.83 0.59 0.09 0.00 0.00 178.44 179.19 2qpk n ASN 284 N -3.01 1.66 0.23 -0.43 3.02 -0.76 -4.66 115.26 111.30 2qpk n ASN 284 Ca -0.09 -2.96 0.18 0.00 -0.03 0.00 0.00 54.58 51.68 2qpk n ASN 284 Cb 0.89 -0.65 0.86 0.00 -0.61 0.00 0.00 39.78 40.27 2qpk n ASN 284 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2qpk h PRO 285 N 4.58 0.00 0.00 3.52 0.11 -1.77 -1.02 132.00 137.43 2qpk h PRO 285 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2qpk h PRO 285 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2qpk h PRO 285 CO 0.61 0.00 -0.46 1.12 -0.21 0.00 0.00 178.00 179.06 2qpk h HIS 286 N 0.00 0.00 -3.99 0.65 2.07 -1.93 -3.47 115.15 108.48 2qpk h HIS 286 Ca 0.07 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.06 2qpk h HIS 286 Cb 0.53 0.00 0.10 0.00 2.57 0.00 0.00 27.41 30.61 2qpk h HIS 286 CO 0.00 0.00 0.62 -1.58 -3.07 0.00 0.00 177.93 173.90 2qpk s TRP 287 N -3.16 2.59 0.69 6.12 0.52 -0.39 -5.02 118.94 120.29 2qpk s TRP 287 Ca 0.07 1.38 -0.00 0.00 0.02 0.00 0.00 56.10 57.57 2qpk s TRP 287 Cb 0.12 -3.73 0.11 0.00 -1.15 0.00 0.00 33.47 28.82 2qpk s TRP 287 CO 0.69 -2.44 0.95 0.54 0.02 0.00 0.00 176.95 176.71 2qpk s ASN 288 N -0.82 4.55 0.12 2.95 4.22 -1.26 -4.89 114.94 119.81 2qpk s ASN 288 Ca 0.63 -0.28 -0.32 0.00 -2.14 0.00 0.00 52.86 50.75 2qpk s ASN 288 Cb -0.39 -0.21 -0.11 0.00 1.28 0.00 0.00 41.25 41.82 2qpk s ASN 288 CO 0.48 -1.71 1.52 1.23 -2.04 0.00 0.00 177.10 176.59 2qpk h GLY 289 N -0.40 -1.08 0.21 0.45 0.00 -1.88 0.34 103.07 100.71 2qpk h GLY 289 Ca -0.38 0.71 0.11 0.00 0.00 0.00 0.00 47.33 47.78 2qpk h GLY 289 CO 0.43 -0.17 0.12 -2.09 0.00 0.00 0.00 176.54 174.84 2qpk h GLU 290 N -0.43 0.25 -0.76 4.80 4.57 -1.96 0.54 114.58 121.59 2qpk h GLU 290 Ca 0.06 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2qpk h GLU 290 Cb 0.59 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 2qpk h GLU 290 CO -0.52 0.17 0.40 -0.22 -1.18 0.00 0.00 179.01 177.65 2qpk h LYS 291 N 0.26 1.07 -0.31 1.92 1.63 -1.80 0.40 116.57 119.73 2qpk h LYS 291 Ca 0.30 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.95 2qpk h LYS 291 Cb 0.44 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2qpk h LYS 291 CO -0.39 0.81 0.13 -0.07 -3.45 0.00 0.00 179.45 176.48 2qpk h LEU 292 N 1.05 0.43 0.23 5.20 -0.00 0.31 -1.55 115.31 120.98 2qpk h LEU 292 Ca 0.26 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 2qpk h LEU 292 Cb 0.07 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 40.61 2qpk h LEU 292 CO -0.04 0.47 -0.12 0.22 -0.00 0.00 0.00 178.44 178.97 2qpk h TYR 293 N 0.36 -0.32 -0.84 1.13 3.20 -0.44 -1.50 116.97 118.56 2qpk h TYR 293 Ca 0.11 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2qpk h TYR 293 Cb 0.17 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 2qpk h TYR 293 CO -0.01 -0.20 0.47 1.96 -1.64 0.00 0.00 178.16 178.75 2qpk h GLN 294 N -0.33 1.15 0.01 1.82 1.08 -0.92 -1.61 115.11 116.31 2qpk h GLN 294 Ca -0.03 -0.12 -0.20 0.00 -1.45 0.00 0.00 58.65 56.85 2qpk h GLN 294 Cb 0.26 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2qpk h GLN 294 CO 0.04 0.83 -0.89 1.49 -0.95 0.00 0.00 178.83 179.36 2qpk h GLU 295 N 1.16 0.20 -0.17 1.46 4.57 -1.16 -0.88 114.58 119.77 2qpk h GLU 295 Ca 0.30 -0.22 -0.16 0.00 -1.18 0.00 0.00 59.36 58.10 2qpk h GLU 295 Cb 0.00 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2qpk h GLU 295 CO -0.05 0.96 -0.51 0.00 -1.18 0.00 0.00 179.01 178.23 2qpk h ALA 296 N 0.96 0.29 -0.49 2.92 0.00 -1.15 -2.69 119.26 119.11 2qpk h ALA 296 Ca -0.05 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.43 2qpk h ALA 296 Cb 1.52 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2qpk h ALA 296 CO 0.14 0.48 0.19 -0.09 0.00 0.00 0.00 179.25 179.96 2qpk h ARG 297 N 0.33 0.37 -0.52 0.00 2.43 -1.26 0.11 114.38 115.83 2qpk h ARG 297 Ca -0.01 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2qpk h ARG 297 Cb 1.13 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2qpk h ARG 297 CO 0.11 0.24 0.26 -0.22 -1.51 0.00 0.00 179.97 178.85 2qpk h LYS 298 N 0.38 0.74 -0.18 0.20 3.64 -1.21 -1.60 116.57 118.55 2qpk h LYS 298 Ca 0.23 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2qpk h LYS 298 Cb 0.22 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2qpk h LYS 298 CO -0.22 0.61 0.11 0.82 -2.27 0.00 0.00 179.45 178.51 2qpk h ILE 299 N 0.69 1.07 -0.44 2.00 2.04 -0.97 -2.62 117.51 119.28 2qpk h ILE 299 Ca 0.18 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2qpk h ILE 299 Cb 0.11 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2qpk h ILE 299 CO -0.02 0.06 0.24 0.25 0.00 0.00 0.00 178.15 178.68 2qpk h LEU 300 N 0.22 0.53 -0.60 1.44 5.85 -0.53 -1.89 115.31 120.33 2qpk h LEU 300 Ca 0.06 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 2qpk h LEU 300 Cb 0.01 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2qpk h LEU 300 CO -0.01 0.43 -0.44 1.23 -0.34 0.00 0.00 178.44 179.31 2qpk h GLY 301 N 0.68 0.66 1.13 3.75 0.00 -1.12 -2.01 103.07 106.16 2qpk h GLY 301 Ca 0.16 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 2qpk h GLY 301 CO -0.03 0.62 0.08 0.00 0.00 0.00 0.00 176.54 177.21 2qpk h ALA 302 N 1.03 0.94 0.11 3.60 0.00 -1.06 -1.64 119.26 122.22 2qpk h ALA 302 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2qpk h ALA 302 Cb 0.96 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2qpk h ALA 302 CO 0.09 0.66 -0.05 0.35 0.00 0.00 0.00 179.25 180.29 2qpk h PHE 303 N 0.99 -0.13 -0.98 0.00 3.57 -1.08 0.74 116.94 120.04 2qpk h PHE 303 Ca 0.19 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.75 2qpk h PHE 303 Cb 0.46 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 2qpk h PHE 303 CO 0.03 0.01 0.64 0.82 -2.23 0.00 0.00 178.31 177.58 2qpk h ILE 304 N -0.24 1.10 -0.49 1.41 2.04 -1.27 -1.36 117.51 118.69 2qpk h ILE 304 Ca -0.01 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 2qpk h ILE 304 Cb 0.20 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 2qpk h ILE 304 CO 0.02 0.21 0.02 1.56 0.00 0.00 0.00 178.15 179.96 2qpk h GLN 305 N 1.16 0.85 -0.11 2.37 4.20 -0.88 -2.06 115.11 120.64 2qpk h GLN 305 Ca 0.42 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2qpk h GLN 305 Cb 0.15 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2qpk h GLN 305 CO -0.16 0.88 -0.05 0.82 -0.67 0.00 0.00 178.83 179.66 2qpk h ILE 306 N 0.71 1.31 -0.53 2.54 2.04 -0.31 -1.66 117.51 121.62 2qpk h ILE 306 Ca 0.14 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 2qpk h ILE 306 Cb 0.49 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2qpk h ILE 306 CO 0.02 0.30 0.11 0.40 0.00 0.00 0.00 178.15 178.98 2qpk h ILE 307 N -0.12 1.23 0.17 -0.67 2.04 -1.29 0.59 117.51 119.46 2qpk h ILE 307 Ca 0.03 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2qpk h ILE 307 Cb 0.49 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2qpk h ILE 307 CO 0.01 0.31 -0.08 0.74 0.00 0.00 0.00 178.15 179.14 2qpk h THR 308 N 0.79 0.91 0.01 -0.27 2.02 -1.28 -0.57 112.91 114.53 2qpk h THR 308 Ca 0.17 -0.38 -0.22 0.00 0.77 0.00 0.00 66.41 66.75 2qpk h THR 308 Cb 0.32 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2qpk h THR 308 CO 0.00 0.09 -1.08 -0.26 0.37 0.00 0.00 175.52 174.65 2qpk h PHE 309 N -0.41 0.05 0.08 3.16 -1.00 -1.22 0.18 116.94 117.77 2qpk h PHE 309 Ca -0.02 -0.04 -0.25 0.00 2.81 0.00 0.00 57.97 60.47 2qpk h PHE 309 Cb 0.32 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 2qpk h PHE 309 CO -0.01 1.03 -1.28 -0.09 -1.61 0.00 0.00 178.31 176.35 2qpk h ARG 310 N 0.01 0.16 0.00 1.51 2.43 -0.98 -3.41 114.38 114.10 2qpk h ARG 310 Ca -0.04 -0.28 -0.38 0.00 -0.81 0.00 0.00 59.98 58.47 2qpk h ARG 310 Cb 1.81 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 31.39 2qpk h ARG 310 CO 0.13 1.13 -2.45 -0.25 -1.51 0.00 0.00 179.97 177.03 2qpk n ASP 311 N -4.08 1.30 -0.06 -3.80 8.00 -0.66 -4.66 116.55 112.59 2qpk n ASP 311 Ca -0.26 -0.09 -0.03 0.00 0.71 0.00 0.00 54.79 55.12 2qpk n ASP 311 Cb 0.82 0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.98 2qpk n ASP 311 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2qpk h TYR 312 N 0.00 0.00 -0.67 1.24 3.20 -0.82 -3.39 116.97 116.54 2qpk h TYR 312 Ca -0.57 0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.43 2qpk h TYR 312 Cb 2.02 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 40.20 2qpk h TYR 312 CO 0.02 0.00 0.18 -0.07 -1.64 0.00 0.00 178.16 176.65 2qpk h LEU 313 N -0.98 0.07 -2.07 2.82 3.38 -0.90 -1.57 115.31 116.06 2qpk h LEU 313 Ca 0.00 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2qpk h LEU 313 Cb 0.33 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2qpk h LEU 313 CO 0.00 0.02 0.22 -0.65 0.09 0.00 0.00 178.44 178.12 2qpk h PRO 314 N 0.31 0.00 -0.16 1.13 0.11 -1.79 -1.16 132.00 130.43 2qpk h PRO 314 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2qpk h PRO 314 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2qpk h PRO 314 CO -0.43 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 177.80 2qpk n ILE 315 N -4.24 0.19 -0.12 4.15 -5.35 -0.60 -1.89 119.36 111.51 2qpk n ILE 315 Ca 0.04 -0.49 -0.22 0.00 -0.27 0.00 0.00 62.75 61.81 2qpk n ILE 315 Cb 0.38 0.89 -0.08 0.00 -1.74 0.00 0.00 39.64 39.08 2qpk n ILE 315 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2qpk n VAL 316 N 0.92 1.51 0.18 7.28 0.31 -0.54 -3.95 118.33 124.05 2qpk n VAL 316 Ca 0.17 -0.14 0.07 0.00 -0.01 0.00 0.00 64.34 64.43 2qpk n VAL 316 Cb 0.49 -2.06 0.15 0.00 -0.91 0.00 0.00 33.84 31.51 2qpk n VAL 316 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2qpk h LEU 317 N -1.00 0.00 0.00 7.52 4.07 -1.42 0.15 115.31 124.63 2qpk h LEU 317 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2qpk h LEU 317 Cb 1.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.06 2qpk h LEU 317 CO -0.26 0.26 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 2qpk n GLY 318 N 1.03 3.32 0.00 0.83 0.00 -0.79 -1.66 105.19 107.91 2qpk n GLY 318 Ca 0.03 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.92 2qpk n GLY 318 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qpk n SER 319 N 3.23 0.00 0.00 1.61 3.41 -0.87 -1.98 113.62 119.02 2qpk n SER 319 Ca 0.00 0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.99 2qpk n SER 319 Cb 0.00 -0.38 0.37 0.00 -0.26 0.00 0.00 64.21 63.95 2qpk n SER 319 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qpk n GLU 320 N -1.38 0.00 -0.05 4.33 -0.58 -0.67 -4.18 120.64 118.13 2qpk n GLU 320 Ca 0.06 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.71 2qpk n GLU 320 Cb 0.14 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 2qpk n GLU 320 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2qpk h MET 321 N 0.00 -0.30 0.00 3.49 4.05 -1.49 -1.96 114.93 118.72 2qpk h MET 321 Ca 0.00 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 2qpk h MET 321 Cb 0.50 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.37 2qpk h MET 321 CO 0.00 -0.20 -0.16 1.96 0.23 0.00 0.00 176.91 178.74 2qpk h GLN 322 N -0.31 0.00 -0.12 0.39 4.20 -1.81 -0.50 115.11 116.96 2qpk h GLN 322 Ca 0.13 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 2qpk h GLN 322 Cb 0.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2qpk h GLN 322 CO -0.42 0.16 -0.40 -0.22 -0.67 0.00 0.00 178.83 177.28 2qpk h LYS 323 N 0.00 0.26 0.00 1.46 3.64 -1.58 -3.36 116.57 116.99 2qpk h LYS 323 Ca -0.00 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 2qpk h LYS 323 Cb 0.31 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2qpk h LYS 323 CO 0.02 0.62 -1.62 0.91 -2.27 0.00 0.00 179.45 177.11 2qpk n TRP 324 N -4.03 0.00 -3.60 1.91 7.02 -1.06 -4.83 117.44 112.86 2qpk n TRP 324 Ca -0.01 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.19 2qpk n TRP 324 Cb 0.47 -0.36 -0.10 0.00 -2.42 0.00 0.00 31.31 28.90 2qpk n TRP 324 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2qpk n ILE 325 N -2.07 0.37 -0.72 -0.99 5.41 -0.22 -4.63 119.36 116.51 2qpk n ILE 325 Ca -0.07 -4.25 -0.29 0.00 1.00 0.00 0.00 62.75 59.13 2qpk n ILE 325 Cb 0.48 -1.95 0.21 0.00 -0.71 0.00 0.00 39.64 37.68 2qpk n ILE 325 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2qpk s PRO 326 N -0.93 -0.06 0.55 0.38 0.04 -1.26 -4.58 135.00 129.14 2qpk s PRO 326 Ca 0.30 0.98 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 2qpk s PRO 326 Cb 0.02 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.87 2qpk s PRO 326 CO -0.16 -3.19 1.16 -2.30 0.04 0.00 0.00 177.00 172.55 2qpk n PRO 327 N -4.56 1.32 -1.91 0.56 -0.02 -1.26 -4.87 135.00 124.26 2qpk n PRO 327 Ca 0.06 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2qpk n PRO 327 Cb 0.54 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2qpk n PRO 327 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2qpk s TYR 328 N -1.37 2.86 -1.52 6.00 5.04 -1.26 -4.90 117.35 122.19 2qpk s TYR 328 Ca 0.72 0.50 0.14 0.00 -2.44 0.00 0.00 57.07 55.99 2qpk s TYR 328 Cb -0.44 -3.96 0.06 0.00 0.35 0.00 0.00 41.96 37.98 2qpk s TYR 328 CO 0.49 -3.66 0.86 1.04 -1.34 0.00 0.00 175.55 172.95 2qpk n GLN 329 N 4.43 1.31 0.00 4.97 1.13 -1.26 -5.10 117.38 122.85 2qpk n GLN 329 Ca 0.15 -1.08 0.00 0.00 -1.94 0.00 0.00 57.00 54.13 2qpk n GLN 329 Cb 0.39 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.50 2qpk n GLN 329 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qpk n GLY 330 N 0.88 1.82 3.75 1.08 0.00 -1.26 -5.04 105.19 106.42 2qpk n GLY 330 Ca 0.07 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 2qpk n GLY 330 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qpk s TYR 331 N -1.71 3.19 -0.28 1.61 5.04 -1.26 -4.89 117.35 119.05 2qpk s TYR 331 Ca 0.00 1.26 0.03 0.00 -2.44 0.00 0.00 57.07 55.92 2qpk s TYR 331 Cb 0.00 -3.64 0.07 0.00 0.35 0.00 0.00 41.96 38.74 2qpk s TYR 331 CO 0.00 -1.93 -0.05 1.21 -1.34 0.00 0.00 175.55 173.44 2qpk s ASN 332 N 0.08 4.42 0.04 4.32 3.84 -0.44 -4.99 114.94 122.21 2qpk s ASN 332 Ca 0.55 -1.56 0.14 0.00 0.21 0.00 0.00 52.86 52.20 2qpk s ASN 332 Cb -0.38 -1.49 0.62 0.00 -0.55 0.00 0.00 41.25 39.45 2qpk s ASN 332 CO 0.43 -0.25 1.45 -0.46 -2.79 0.00 0.00 177.10 175.48 2qpk n ASN 333 N 4.44 0.10 -0.04 -4.21 2.04 -1.26 -2.60 115.26 113.73 2qpk n ASN 333 Ca -0.09 0.53 0.13 0.00 -0.44 0.00 0.00 54.58 54.71 2qpk n ASN 333 Cb 0.42 -0.55 0.40 0.00 -2.53 0.00 0.00 39.78 37.52 2qpk n ASN 333 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 2qpk n SER 334 N -1.61 0.42 -4.71 0.53 7.64 -1.26 -4.88 113.62 109.75 2qpk n SER 334 Ca 0.03 -0.16 -0.40 0.00 1.01 0.00 0.00 58.87 59.34 2qpk n SER 334 Cb 0.16 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 2qpk n SER 334 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2qpk s VAL 335 N -2.89 5.02 -0.39 0.44 1.01 -1.07 -5.02 120.40 117.50 2qpk s VAL 335 Ca 0.15 1.51 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 2qpk s VAL 335 Cb 0.18 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2qpk s VAL 335 CO 0.61 0.23 1.42 -0.62 0.00 0.00 0.00 175.10 176.74 2qpk s ASP 336 N 0.84 6.36 0.00 3.32 2.15 -1.26 -4.64 116.67 123.44 2qpk s ASP 336 Ca 0.39 0.91 0.29 0.00 0.43 0.00 0.00 52.55 54.57 2qpk s ASP 336 Cb -0.18 -2.54 1.34 0.00 -0.30 0.00 0.00 42.92 41.25 2qpk s ASP 336 CO 0.19 -1.40 1.91 -0.81 -0.17 0.00 0.00 175.17 174.89 2qpk n PRO 337 N 7.99 1.22 -1.93 4.34 -0.04 -1.26 -4.73 135.00 140.59 2qpk n PRO 337 Ca 0.17 -0.49 -0.40 0.00 -0.04 0.00 0.00 63.50 62.74 2qpk n PRO 337 Cb 0.48 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2qpk n PRO 337 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2qpk s ARG 338 N -2.12 3.90 0.09 0.54 0.52 -1.26 -4.58 118.95 116.04 2qpk s ARG 338 Ca 0.39 2.31 -0.30 0.00 -0.52 0.00 0.00 55.73 57.61 2qpk s ARG 338 Cb 0.21 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.86 2qpk s ARG 338 CO 0.38 -0.60 1.06 0.42 0.02 0.00 0.00 175.30 176.58 2qpk s ILE 339 N -1.21 4.33 0.45 1.52 1.09 -1.26 -4.80 121.20 121.32 2qpk s ILE 339 Ca 0.57 1.81 -0.13 0.00 -1.10 0.00 0.00 60.65 61.81 2qpk s ILE 339 Cb -0.41 -4.16 -0.07 0.00 -1.06 0.00 0.00 42.46 36.76 2qpk s ILE 339 CO 0.54 0.22 0.86 -0.94 -0.10 0.00 0.00 174.94 175.51 2qpk s SER 340 N 0.48 6.55 0.15 3.58 1.04 -1.26 -1.83 113.70 122.40 2qpk s SER 340 Ca 0.52 1.30 -0.18 0.00 0.48 0.00 0.00 55.95 58.07 2qpk s SER 340 Cb -0.26 -2.39 0.03 0.00 0.10 0.00 0.00 66.02 63.50 2qpk s SER 340 CO 0.30 -0.48 1.72 -1.13 0.98 0.00 0.00 173.24 174.64 2qpk h ASN 341 N 1.09 -0.05 -0.07 7.02 -0.73 -1.34 -2.58 115.58 118.91 2qpk h ASN 341 Ca -0.47 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 57.74 2qpk h ASN 341 Cb 1.19 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.86 2qpk h ASN 341 CO 0.63 0.01 0.01 1.62 -0.37 0.00 0.00 177.43 179.33 2qpk h VAL 342 N 0.13 1.09 -0.85 2.57 3.04 -1.94 -2.41 116.25 117.87 2qpk h VAL 342 Ca 0.14 -0.32 0.11 0.00 -1.01 0.00 0.00 66.70 65.62 2qpk h VAL 342 Cb 0.17 0.98 -0.08 0.00 -2.01 0.00 0.00 31.29 30.35 2qpk h VAL 342 CO -0.21 0.11 0.49 0.15 -1.01 0.00 0.00 177.57 177.09 2qpk h PHE 343 N 0.19 0.88 0.00 3.17 3.57 -1.83 0.15 116.94 123.07 2qpk h PHE 343 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2qpk h PHE 343 Cb 0.12 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2qpk h PHE 343 CO 0.00 0.34 0.00 0.25 -2.23 0.00 0.00 178.31 176.67 2qpk n THR 344 N -4.75 1.23 -0.12 4.41 -2.24 -0.91 0.28 114.28 112.19 2qpk n THR 344 Ca 0.15 0.43 -0.16 0.00 -2.27 0.00 0.00 64.05 62.20 2qpk n THR 344 Cb 0.31 -1.35 -0.12 0.00 -2.10 0.00 0.00 70.33 67.07 2qpk n THR 344 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qpk n PHE 345 N -1.87 0.00 0.05 4.78 3.01 -0.12 -4.25 117.46 119.07 2qpk n PHE 345 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2qpk n PHE 345 Cb 0.11 -0.94 0.31 0.00 -0.01 0.00 0.00 39.48 38.94 2qpk n PHE 345 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qpk h ALA 346 N 0.14 1.35 0.00 4.37 0.00 0.04 -1.36 119.26 123.80 2qpk h ALA 346 Ca -0.54 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2qpk h ALA 346 Cb 1.90 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2qpk h ALA 346 CO -0.07 0.44 0.00 0.34 0.00 0.00 0.00 179.25 179.96 2qpk n PHE 347 N -4.23 0.00 1.72 0.00 -0.00 0.14 -2.65 117.46 112.44 2qpk n PHE 347 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.47 2qpk n PHE 347 Cb 0.30 -0.31 0.13 0.00 -0.00 0.00 0.00 39.48 39.59 2qpk n PHE 347 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2qpk n ARG 348 N -1.31 0.86 0.30 -4.13 1.74 -0.51 -3.36 116.66 110.24 2qpk n ARG 348 Ca 0.10 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.36 2qpk n ARG 348 Cb 0.19 -1.08 1.01 0.00 -1.02 0.00 0.00 32.46 31.56 2qpk n ARG 348 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2qpk h PHE 349 N 0.00 0.00 -0.03 -1.55 -5.15 -1.69 -2.29 116.94 106.23 2qpk h PHE 349 Ca 0.00 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 2qpk h PHE 349 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 2qpk h PHE 349 CO 0.00 0.00 0.02 0.78 -2.00 0.00 0.00 178.31 177.11 2qpk h GLY 350 N 0.00 0.00 2.00 6.09 0.00 -1.86 -2.34 103.07 106.96 2qpk h GLY 350 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2qpk h GLY 350 CO -0.00 0.00 -0.06 0.45 0.00 0.00 0.00 176.54 176.93 2qpk h HIS 351 N 0.00 0.00 -0.09 5.60 3.86 -1.72 0.09 115.15 122.89 2qpk h HIS 351 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2qpk h HIS 351 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 2qpk h HIS 351 CO 0.00 0.06 0.00 -1.33 0.86 0.00 0.00 177.93 177.52 2qpk n MET 352 N -3.77 1.52 0.00 2.45 2.81 -0.88 -3.35 117.12 115.91 2qpk n MET 352 Ca -0.02 -0.78 0.08 0.00 -1.81 0.00 0.00 57.70 55.17 2qpk n MET 352 Cb 0.15 -1.41 0.06 0.00 -0.71 0.00 0.00 33.22 31.31 2qpk n MET 352 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qpk n GLU 353 N -0.02 1.42 -3.24 0.03 1.02 0.02 -4.16 120.64 115.70 2qpk n GLU 353 Ca 0.17 -1.36 -0.39 0.00 -0.02 0.00 0.00 57.16 55.56 2qpk n GLU 353 Cb 0.27 -1.31 -0.07 0.00 -0.02 0.00 0.00 31.44 30.31 2qpk n GLU 353 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qpk s VAL 354 N -1.51 5.10 0.77 2.62 1.01 -1.21 -1.12 120.40 126.06 2qpk s VAL 354 Ca 0.18 0.98 -0.10 0.00 0.00 0.00 0.00 61.98 63.04 2qpk s VAL 354 Cb 0.14 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.75 2qpk s VAL 354 CO 0.25 0.17 1.11 -2.16 0.00 0.00 0.00 175.10 174.48 2qpk s PRO 355 N 1.63 1.93 0.05 2.72 0.04 -1.26 -4.47 135.00 135.64 2qpk s PRO 355 Ca 0.25 -0.15 0.28 0.00 0.04 0.00 0.00 61.00 61.42 2qpk s PRO 355 Cb -0.15 -2.05 1.07 0.00 0.04 0.00 0.00 34.50 33.40 2qpk s PRO 355 CO 0.10 -1.51 1.84 -1.13 0.04 0.00 0.00 177.00 176.34 2qpk n SER 356 N -3.16 0.24 -4.09 6.66 3.41 -1.26 -4.79 113.62 110.62 2qpk n SER 356 Ca 0.09 0.45 -0.08 0.00 -0.26 0.00 0.00 58.87 59.07 2qpk n SER 356 Cb 0.61 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 2qpk n SER 356 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qpk s THR 357 N -3.03 0.31 -0.05 6.66 -4.23 -1.26 -0.61 115.64 113.43 2qpk s THR 357 Ca 0.13 -1.68 0.05 0.00 -1.18 0.00 0.00 61.69 59.01 2qpk s THR 357 Cb 0.17 -1.34 -0.01 0.00 1.34 0.00 0.00 72.50 72.66 2qpk s THR 357 CO 0.56 -0.88 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.85 2qpk s VAL 358 N -3.42 1.80 0.16 2.29 1.01 -0.60 -4.86 120.40 116.77 2qpk s VAL 358 Ca 0.04 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.20 2qpk s VAL 358 Cb 0.04 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2qpk s VAL 358 CO -0.07 0.51 -0.18 -0.44 0.00 0.00 0.00 175.10 174.91 2qpk s SER 359 N -0.04 3.82 -0.14 3.32 0.01 -1.26 -1.39 113.70 118.02 2qpk s SER 359 Ca -0.05 -0.67 -0.00 0.00 1.31 0.00 0.00 55.95 56.54 2qpk s SER 359 Cb -0.13 -0.49 -0.01 0.00 0.21 0.00 0.00 66.02 65.59 2qpk s SER 359 CO 0.03 0.14 -0.12 -0.13 0.41 0.00 0.00 173.24 173.57 2qpk s ARG 360 N -2.48 3.40 0.06 12.44 3.00 -1.01 -4.26 118.95 130.10 2qpk s ARG 360 Ca 0.20 -0.67 0.08 0.00 0.00 0.00 0.00 55.73 55.34 2qpk s ARG 360 Cb -0.09 -2.66 -0.03 0.00 0.00 0.00 0.00 34.95 32.16 2qpk s ARG 360 CO 0.11 0.19 -0.19 -0.51 0.00 0.00 0.00 175.30 174.90 2qpk s LEU 361 N 0.41 2.58 0.00 2.53 1.43 -0.92 -1.52 118.68 123.20 2qpk s LEU 361 Ca -0.10 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2qpk s LEU 361 Cb -0.16 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.59 2qpk s LEU 361 CO 0.05 0.23 0.15 -0.90 0.23 0.00 0.00 176.35 176.11 2qpk n ASP 362 N 1.36 0.05 0.32 2.29 5.68 0.36 -4.28 116.55 122.33 2qpk n ASP 362 Ca -0.16 -1.08 0.19 0.00 -0.50 0.00 0.00 54.79 53.24 2qpk n ASP 362 Cb 0.52 -0.11 1.05 0.00 -1.14 0.00 0.00 41.12 41.44 2qpk n ASP 362 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2qpk h GLU 363 N 0.00 0.00 -0.53 0.11 5.08 -1.97 0.17 114.58 117.44 2qpk h GLU 363 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2qpk h GLU 363 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2qpk h GLU 363 CO 0.04 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 2qpk n ASN 364 N -3.39 3.35 -1.26 1.42 5.03 -1.26 -4.92 115.26 114.23 2qpk n ASN 364 Ca -0.03 -1.98 -0.14 0.00 0.87 0.00 0.00 54.58 53.31 2qpk n ASN 364 Cb 0.10 -0.35 -0.04 0.00 -1.02 0.00 0.00 39.78 38.47 2qpk n ASN 364 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2qpk n TYR 365 N 1.36 -0.22 -3.72 3.10 4.01 0.59 -5.00 117.16 117.27 2qpk n TYR 365 Ca 0.21 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.75 2qpk n TYR 365 Cb 0.55 -2.68 -0.02 0.00 -0.31 0.00 0.00 39.34 36.89 2qpk n TYR 365 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2qpk s GLN 366 N -3.69 3.17 0.18 -0.72 -1.52 -1.26 -4.78 119.66 111.03 2qpk s GLN 366 Ca 0.00 -0.96 -0.32 0.00 -1.95 0.00 0.00 55.36 52.13 2qpk s GLN 366 Cb 0.00 -2.79 -0.16 0.00 -0.22 0.00 0.00 33.01 29.85 2qpk s GLN 366 CO 0.00 0.22 1.05 -2.30 -0.25 0.00 0.00 175.29 174.01 2qpk n PRO 367 N -1.50 0.97 -3.44 2.91 -0.02 -1.26 -0.49 135.00 132.18 2qpk n PRO 367 Ca -0.04 0.34 -0.44 0.00 -2.02 0.00 0.00 63.50 61.35 2qpk n PRO 367 Cb 0.58 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.24 2qpk n PRO 367 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2qpk s TRP 368 N -0.42 3.47 0.00 6.00 -0.00 -0.57 -4.43 118.94 122.98 2qpk s TRP 368 Ca 0.71 -1.83 0.00 0.00 -0.00 0.00 0.00 56.10 54.98 2qpk s TRP 368 Cb -0.87 -3.65 0.00 0.00 -0.00 0.00 0.00 33.47 28.96 2qpk s TRP 368 CO 0.54 -0.98 0.00 0.41 -0.00 0.00 0.00 176.95 176.92 2qpk n GLY 369 N 4.58 -2.46 0.09 5.86 0.00 -1.26 -4.19 105.19 107.82 2qpk n GLY 369 Ca -0.02 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 2qpk n GLY 369 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qpk h PRO 370 N 0.00 0.00 -1.90 1.61 0.13 -2.01 -3.36 132.00 126.47 2qpk h PRO 370 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 2qpk h PRO 370 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 2qpk h PRO 370 CO 0.00 0.34 -0.10 0.39 -0.23 0.00 0.00 178.00 178.40 2qpk n GLU 371 N -2.94 3.50 0.03 0.86 1.02 -1.26 -4.82 120.64 117.03 2qpk n GLU 371 Ca -0.10 -4.41 -0.11 0.00 -0.02 0.00 0.00 57.16 52.52 2qpk n GLU 371 Cb 0.88 -2.28 0.01 0.00 -0.02 0.00 0.00 31.44 30.03 2qpk n GLU 371 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qpk h ALA 372 N 2.97 0.55 -2.79 0.62 0.00 -1.73 -3.42 119.26 115.46 2qpk h ALA 372 Ca 0.35 -0.59 -0.66 0.00 0.00 0.00 0.00 54.91 54.00 2qpk h ALA 372 Cb 0.55 -0.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.10 2qpk h ALA 372 CO 1.01 0.73 -0.50 -2.00 0.00 0.00 0.00 179.25 178.50 2qpk s GLU 373 N -3.70 3.64 0.12 0.00 2.12 -1.26 -2.40 118.70 117.22 2qpk s GLU 373 Ca -0.07 -0.54 0.09 0.00 0.36 0.00 0.00 54.97 54.81 2qpk s GLU 373 Cb 0.10 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2qpk s GLU 373 CO 0.85 -0.35 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.55 2qpk s LEU 374 N 1.73 2.77 0.22 2.70 1.43 -0.49 -4.95 118.68 122.09 2qpk s LEU 374 Ca 0.06 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 2qpk s LEU 374 Cb -0.17 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 2qpk s LEU 374 CO 0.10 0.18 1.23 -2.84 0.23 0.00 0.00 176.35 175.25 2qpk s PRO 375 N -2.18 4.47 0.26 1.29 0.02 -1.26 -1.56 135.00 136.03 2qpk s PRO 375 Ca 0.19 1.96 -0.04 0.00 0.02 0.00 0.00 61.00 63.13 2qpk s PRO 375 Cb -0.11 -3.20 0.53 0.00 0.02 0.00 0.00 34.50 31.75 2qpk s PRO 375 CO 0.11 -0.10 1.65 1.25 -0.33 0.00 0.00 177.00 179.58 2qpk h LEU 376 N 4.81 -0.15 -2.52 -5.54 6.46 -1.17 -1.36 115.31 115.84 2qpk h LEU 376 Ca -0.45 0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.50 2qpk h LEU 376 Cb 1.22 0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 41.43 2qpk h LEU 376 CO 0.73 -0.14 0.14 1.12 -0.62 0.00 0.00 178.44 179.67 2qpk h HIS 377 N 0.18 0.00 -0.00 1.25 2.07 -1.83 0.03 115.15 116.84 2qpk h HIS 377 Ca 0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.98 2qpk h HIS 377 Cb 0.84 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.82 2qpk h HIS 377 CO -0.34 0.00 -0.05 0.25 -3.07 0.00 0.00 177.93 174.73 2qpk n THR 378 N -3.20 0.00 0.40 6.12 -2.24 -0.51 -3.71 114.28 111.15 2qpk n THR 378 Ca -0.02 -0.08 0.07 0.00 -2.27 0.00 0.00 64.05 61.75 2qpk n THR 378 Cb 0.21 -0.10 0.08 0.00 -2.10 0.00 0.00 70.33 68.42 2qpk n THR 378 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qpk n LEU 379 N -0.72 2.31 -4.71 3.22 4.77 -0.00 -4.78 117.00 117.08 2qpk n LEU 379 Ca 0.18 -1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 54.55 2qpk n LEU 379 Cb 0.24 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2qpk n LEU 379 CO 0.20 0.46 1.07 -0.36 -1.33 0.00 0.00 177.39 177.44 2qpk s PHE 380 N -1.09 3.18 -1.35 -1.77 0.08 -1.24 -2.66 117.98 113.12 2qpk s PHE 380 Ca 0.18 0.92 -0.02 0.00 0.12 0.00 0.00 56.93 58.13 2qpk s PHE 380 Cb 0.12 -3.69 0.01 0.00 -0.57 0.00 0.00 43.02 38.89 2qpk s PHE 380 CO 0.17 -2.43 0.19 1.19 -0.10 0.00 0.00 175.22 174.24 2qpk n PHE 381 N 4.15 -1.48 -3.49 0.36 3.72 -0.67 -4.93 117.46 115.12 2qpk n PHE 381 Ca 0.12 0.17 -0.42 0.00 -0.05 0.00 0.00 57.45 57.27 2qpk n PHE 381 Cb 0.42 -3.37 -0.10 0.00 -0.94 0.00 0.00 39.48 35.49 2qpk n PHE 381 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2qpk s ASN 382 N -2.27 6.07 -0.04 4.37 3.84 -1.14 -4.04 114.94 121.74 2qpk s ASN 382 Ca 0.12 -0.75 0.13 0.00 0.21 0.00 0.00 52.86 52.57 2qpk s ASN 382 Cb -0.06 -2.15 -0.20 0.00 -0.55 0.00 0.00 41.25 38.30 2qpk s ASN 382 CO 0.15 -0.38 0.25 0.35 -2.79 0.00 0.00 177.10 174.67 2qpk n THR 383 N 5.13 0.16 -0.13 -5.21 -2.24 -1.26 -4.41 114.28 106.32 2qpk n THR 383 Ca -0.12 -0.34 0.01 0.00 -2.27 0.00 0.00 64.05 61.33 2qpk n THR 383 Cb 0.48 0.03 0.29 0.00 -2.10 0.00 0.00 70.33 69.04 2qpk n THR 383 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 2qpk h TRP 384 N 0.00 0.78 0.00 4.78 5.08 -1.89 -0.96 115.95 123.74 2qpk h TRP 384 Ca -0.06 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.90 2qpk h TRP 384 Cb 0.82 -0.26 -0.00 0.00 -3.00 0.00 0.00 29.16 26.72 2qpk h TRP 384 CO 0.00 0.53 -0.04 0.00 -1.28 0.00 0.00 178.44 177.65 2qpk h ARG 385 N 0.82 0.00 0.00 0.12 2.47 -1.95 0.36 114.38 116.20 2qpk h ARG 385 Ca 0.21 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.89 2qpk h ARG 385 Cb -0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 2qpk h ARG 385 CO -0.04 0.04 -0.35 0.82 0.56 0.00 0.00 179.97 181.01 2qpk h ILE 386 N 0.00 0.59 -0.05 2.04 2.04 -1.49 -2.47 117.51 118.17 2qpk h ILE 386 Ca -0.00 -1.53 -0.05 0.00 1.00 0.00 0.00 64.86 64.28 2qpk h ILE 386 Cb 0.23 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2qpk h ILE 386 CO 0.01 0.20 -0.21 0.40 0.00 0.00 0.00 178.15 178.55 2qpk h ILE 387 N -1.00 1.18 -0.00 -0.67 5.03 -1.22 -2.14 117.51 118.68 2qpk h ILE 387 Ca -0.06 -0.82 0.00 0.00 -0.12 0.00 0.00 64.86 63.86 2qpk h ILE 387 Cb 0.59 1.38 0.00 0.00 -3.03 0.00 0.00 36.82 35.76 2qpk h ILE 387 CO -0.04 0.24 -0.24 0.29 -0.68 0.00 0.00 178.15 177.72 2qpk n LYS 388 N -4.26 3.35 -2.36 2.37 5.02 0.12 -4.76 118.16 117.64 2qpk n LYS 388 Ca -0.02 -0.28 -0.21 0.00 -2.02 0.00 0.00 58.31 55.78 2qpk n LYS 388 Cb 0.29 -0.93 0.02 0.00 -0.02 0.00 0.00 35.03 34.38 2qpk n LYS 388 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qpk n ASP 389 N -0.71 4.14 0.00 4.39 2.03 -0.93 -4.95 116.55 120.52 2qpk n ASP 389 Ca 0.02 -3.46 0.00 0.00 0.52 0.00 0.00 54.79 51.87 2qpk n ASP 389 Cb 0.14 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 2qpk n ASP 389 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qpk n GLY 390 N -0.53 0.69 7.00 0.27 0.00 -1.26 -4.85 105.19 106.52 2qpk n GLY 390 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2qpk n GLY 390 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qpk n GLY 391 N -1.20 -1.54 0.02 -0.02 0.00 -0.80 -4.40 105.19 97.25 2qpk n GLY 391 Ca 0.00 -1.31 0.11 0.00 0.00 0.00 0.00 46.02 44.82 2qpk n GLY 391 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qpk n ILE 392 N -0.10 0.09 -0.15 -0.61 -5.35 -1.26 -4.44 119.36 107.53 2qpk n ILE 392 Ca 0.00 -0.19 -0.03 0.00 -0.27 0.00 0.00 62.75 62.26 2qpk n ILE 392 Cb 0.00 0.40 0.06 0.00 -1.74 0.00 0.00 39.64 38.36 2qpk n ILE 392 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2qpk h ASP 393 N 0.00 0.15 -0.66 7.28 5.19 -1.98 0.23 116.42 126.63 2qpk h ASP 393 Ca 0.00 0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.49 2qpk h ASP 393 Cb 0.68 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.21 2qpk h ASP 393 CO 0.00 0.12 0.44 -0.65 -3.12 0.00 0.00 179.24 176.03 2qpk h PRO 394 N 0.33 0.84 -0.05 3.56 0.11 -1.78 -2.01 132.00 133.00 2qpk h PRO 394 Ca 0.23 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.08 2qpk h PRO 394 Cb 0.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.18 2qpk h PRO 394 CO -0.25 0.55 -0.85 -0.07 -0.21 0.00 0.00 178.00 177.17 2qpk h LEU 395 N 0.86 0.59 -0.84 2.35 3.38 -1.65 -2.40 115.31 117.61 2qpk h LEU 395 Ca 0.25 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2qpk h LEU 395 Cb -0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2qpk h LEU 395 CO -0.06 1.21 -0.01 0.58 0.09 0.00 0.00 178.44 180.24 2qpk h VAL 396 N 0.29 1.25 -0.49 1.22 2.07 -0.74 -1.08 116.25 118.77 2qpk h VAL 396 Ca -0.06 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 2qpk h VAL 396 Cb 1.47 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2qpk h VAL 396 CO 0.15 0.37 -0.09 0.03 0.02 0.00 0.00 177.57 178.06 2qpk h ARG 397 N 0.79 0.89 -0.80 1.57 3.08 -1.34 -1.92 114.38 116.65 2qpk h ARG 397 Ca 0.15 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 2qpk h ARG 397 Cb 0.49 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 2qpk h ARG 397 CO 0.02 0.94 0.38 0.78 -1.07 0.00 0.00 179.97 181.03 2qpk h GLY 398 N 0.97 1.24 0.73 0.04 0.00 -1.23 -0.13 103.07 104.69 2qpk h GLY 398 Ca 0.13 -0.62 0.09 0.00 0.00 0.00 0.00 47.33 46.94 2qpk h GLY 398 CO 0.04 0.59 0.58 1.41 0.00 0.00 0.00 176.54 179.16 2qpk h LEU 399 N 1.14 0.81 0.16 3.11 3.38 -0.46 0.37 115.31 123.82 2qpk h LEU 399 Ca 0.27 0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.97 2qpk h LEU 399 Cb 0.12 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qpk h LEU 399 CO -0.03 0.48 -1.38 -0.07 0.09 0.00 0.00 178.44 177.53 2qpk h LEU 400 N 0.90 0.52 0.00 1.67 3.38 -0.89 -2.53 115.31 118.36 2qpk h LEU 400 Ca 0.41 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2qpk h LEU 400 Cb 0.39 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2qpk h LEU 400 CO -0.18 1.47 -1.42 0.00 0.09 0.00 0.00 178.44 178.41 2qpk n ALA 401 N -2.62 3.87 -2.20 1.53 0.00 -0.11 -4.48 120.51 116.52 2qpk n ALA 401 Ca -0.13 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.57 2qpk n ALA 401 Cb 1.05 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 19.74 2qpk n ALA 401 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qpk s LYS 402 N -3.23 2.90 0.25 0.00 -0.14 0.10 -4.86 119.74 114.76 2qpk s LYS 402 Ca 0.01 -0.98 0.07 0.00 -1.36 0.00 0.00 55.97 53.71 2qpk s LYS 402 Cb 0.15 -2.70 -0.04 0.00 -1.68 0.00 0.00 37.83 33.56 2qpk s LYS 402 CO 0.88 -0.24 0.20 0.15 -0.76 0.00 0.00 175.35 175.57 2qpk s LYS 403 N -4.40 2.93 0.91 1.68 1.02 -1.26 -0.59 119.74 120.04 2qpk s LYS 403 Ca 0.51 -1.04 -0.14 0.00 0.02 0.00 0.00 55.97 55.33 2qpk s LYS 403 Cb -0.10 -2.57 0.14 0.00 -0.52 0.00 0.00 37.83 34.78 2qpk s LYS 403 CO 0.34 0.41 1.20 -1.12 -0.92 0.00 0.00 175.35 175.26 2qpk s SER 404 N -3.80 3.60 0.23 2.83 0.01 -0.73 -4.22 113.70 111.62 2qpk s SER 404 Ca 0.33 0.68 -0.15 0.00 1.31 0.00 0.00 55.95 58.12 2qpk s SER 404 Cb -0.08 -1.05 -0.08 0.00 0.21 0.00 0.00 66.02 65.02 2qpk s SER 404 CO 0.25 -2.47 0.64 -0.75 0.41 0.00 0.00 173.24 171.32 2qpk s LYS 405 N -5.57 4.00 -0.00 12.44 2.20 -0.28 -0.78 119.74 131.75 2qpk s LYS 405 Ca 0.66 0.57 -0.08 0.00 -0.36 0.00 0.00 55.97 56.76 2qpk s LYS 405 Cb -0.10 -2.71 -0.05 0.00 -1.51 0.00 0.00 37.83 33.46 2qpk s LYS 405 CO 0.52 0.33 0.29 -1.17 -0.36 0.00 0.00 175.35 174.95 2qpk s LEU 406 N -2.45 4.39 0.25 5.43 2.96 -0.46 -4.42 118.68 124.38 2qpk s LEU 406 Ca 0.46 0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 54.70 2qpk s LEU 406 Cb -0.13 -2.61 -0.10 0.00 0.50 0.00 0.00 46.19 43.85 2qpk s LEU 406 CO 0.19 0.28 1.32 -0.32 -1.32 0.00 0.00 176.35 176.51 2qpk s MET 407 N -1.57 4.37 -0.03 1.98 -2.45 -1.26 -4.90 119.30 115.43 2qpk s MET 407 Ca 0.26 2.14 -0.00 0.00 -1.25 0.00 0.00 55.69 56.84 2qpk s MET 407 Cb -0.14 -3.14 0.03 0.00 1.25 0.00 0.00 34.83 32.84 2qpk s MET 407 CO 0.14 -0.24 0.05 1.21 1.05 0.00 0.00 175.02 177.23 2qpk s ASN 408 N 0.02 0.10 0.53 1.11 3.84 -1.24 -5.03 114.94 114.28 2qpk s ASN 408 Ca 0.54 0.07 0.20 0.00 0.21 0.00 0.00 52.86 53.89 2qpk s ASN 408 Cb -0.38 -0.04 1.38 0.00 -0.55 0.00 0.00 41.25 41.66 2qpk s ASN 408 CO 0.44 -0.14 2.14 1.56 -2.79 0.00 0.00 177.10 178.31 2qpk h GLN 409 N 7.35 0.00 0.00 0.43 4.20 -1.93 -1.53 115.11 123.63 2qpk h GLN 409 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2qpk h GLN 409 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2qpk h GLN 409 CO 0.46 0.00 -0.84 -0.25 -0.67 0.00 0.00 178.83 177.53 2qpk n ASP 410 N -4.38 0.65 -3.45 1.46 8.00 -1.26 -4.63 116.55 112.94 2qpk n ASP 410 Ca -0.01 -0.03 -0.27 0.00 0.71 0.00 0.00 54.79 55.19 2qpk n ASP 410 Cb 0.18 0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 41.67 2qpk n ASP 410 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qpk n LYS 411 N -2.05 0.48 0.03 -1.24 5.02 -0.59 -4.77 118.16 115.04 2qpk n LYS 411 Ca 0.02 -3.38 -0.02 0.00 -2.02 0.00 0.00 58.31 52.92 2qpk n LYS 411 Cb 0.44 -1.74 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 2qpk n LYS 411 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2qpk h MET 412 N 5.47 -0.10 -5.16 1.97 2.86 -1.57 -3.28 114.93 115.12 2qpk h MET 412 Ca 0.24 0.01 -0.58 0.00 -2.06 0.00 0.00 59.70 57.31 2qpk h MET 412 Cb 0.88 0.02 -0.32 0.00 0.06 0.00 0.00 31.60 32.24 2qpk h MET 412 CO 0.43 -0.07 -0.84 0.08 1.06 0.00 0.00 176.91 177.57 2qpk s VAL 413 N -1.82 1.51 0.46 -2.22 1.01 -1.05 -4.37 120.40 113.92 2qpk s VAL 413 Ca -0.02 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 2qpk s VAL 413 Cb 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.99 2qpk s VAL 413 CO 0.05 0.44 1.29 0.28 0.00 0.00 0.00 175.10 177.15 2qpk s THR 414 N 0.24 2.56 0.63 3.92 -1.32 -1.26 -4.58 115.64 115.82 2qpk s THR 414 Ca -0.09 0.45 0.34 0.00 -1.21 0.00 0.00 61.69 61.18 2qpk s THR 414 Cb -0.14 -3.25 0.37 0.00 -1.51 0.00 0.00 72.50 67.97 2qpk s THR 414 CO 0.04 0.03 2.14 0.28 -2.21 0.00 0.00 174.62 174.90 2qpk h SER 415 N 2.16 0.00 -0.31 8.08 0.02 -1.95 0.25 113.55 121.80 2qpk h SER 415 Ca -0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 2qpk h SER 415 Cb 1.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 2qpk h SER 415 CO 0.60 0.00 0.18 -0.33 -1.14 0.00 0.00 176.83 176.15 2qpk h GLU 416 N 0.00 0.46 0.00 3.45 4.39 -1.93 -0.13 114.58 120.82 2qpk h GLU 416 Ca 0.04 -0.04 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 2qpk h GLU 416 Cb 0.38 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 2qpk h GLU 416 CO -0.00 0.34 -2.22 1.28 -1.16 0.00 0.00 179.01 177.25 2qpk n LEU 417 N -4.44 0.13 0.18 1.33 4.77 0.45 -3.36 117.00 116.06 2qpk n LEU 417 Ca 0.02 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 2qpk n LEU 417 Cb 0.10 0.38 0.13 0.00 -2.33 0.00 0.00 43.42 41.70 2qpk n LEU 417 CO 0.36 0.40 0.58 -0.09 -1.33 0.00 0.00 177.39 177.32 2qpk h ARG 418 N 0.00 0.00 0.00 3.23 2.43 -0.33 -2.00 114.38 117.71 2qpk h ARG 418 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2qpk h ARG 418 Cb 2.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 2qpk h ARG 418 CO 0.03 0.00 -0.48 0.09 -1.51 0.00 0.00 179.97 178.10 2qpk n ASN 419 N -2.95 2.41 -0.29 -3.80 3.02 -0.09 -4.15 115.26 109.41 2qpk n ASN 419 Ca 0.03 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.67 2qpk n ASN 419 Cb 0.53 0.46 0.16 0.00 -0.61 0.00 0.00 39.78 40.33 2qpk n ASN 419 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qpk n LYS 420 N -0.76 1.83 -1.82 3.52 5.02 -1.09 -3.66 118.16 121.20 2qpk n LYS 420 Ca 0.00 -2.57 -0.41 0.00 -2.02 0.00 0.00 58.31 53.31 2qpk n LYS 420 Cb 0.02 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.47 2qpk n LYS 420 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qpk s LEU 421 N -2.72 4.33 -0.18 -0.35 2.96 -0.42 -4.17 118.68 118.13 2qpk s LEU 421 Ca 0.33 2.99 -0.07 0.00 -0.22 0.00 0.00 54.13 57.15 2qpk s LEU 421 Cb 0.28 -3.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 2qpk s LEU 421 CO 0.05 -0.86 0.06 0.12 -1.32 0.00 0.00 176.35 174.40 2qpk s PHE 422 N -0.79 3.23 -0.13 5.38 5.36 -1.26 -0.62 117.98 129.16 2qpk s PHE 422 Ca 0.55 0.04 -0.05 0.00 -0.96 0.00 0.00 56.93 56.51 2qpk s PHE 422 Cb -0.46 -2.08 -0.04 0.00 -0.34 0.00 0.00 43.02 40.10 2qpk s PHE 422 CO 0.58 0.13 0.06 -0.65 -1.46 0.00 0.00 175.22 173.88 2qpk s GLN 423 N 0.40 3.43 0.51 10.12 -1.52 -1.26 -4.99 119.66 126.36 2qpk s GLN 423 Ca 0.03 -0.30 0.21 0.00 -1.95 0.00 0.00 55.36 53.35 2qpk s GLN 423 Cb -0.13 -3.04 1.30 0.00 -0.22 0.00 0.00 33.01 30.92 2qpk s GLN 423 CO 0.00 0.59 2.02 -1.00 -0.25 0.00 0.00 175.29 176.66 2qpk h PRO 424 N 5.57 0.08 0.00 2.91 0.13 -1.98 -1.58 132.00 137.13 2qpk h PRO 424 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qpk h PRO 424 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2qpk h PRO 424 CO 0.60 0.05 -0.38 1.15 -0.23 0.00 0.00 178.00 179.19 2qpk h THR 425 N 0.08 0.00 -0.51 1.56 2.02 -2.02 -3.43 112.91 110.61 2qpk h THR 425 Ca 0.21 -0.58 -0.64 0.00 0.77 0.00 0.00 66.41 66.17 2qpk h THR 425 Cb 0.74 1.34 -0.10 0.00 -1.74 0.00 0.00 68.15 68.39 2qpk h THR 425 CO -0.02 0.00 -0.45 -1.00 0.37 0.00 0.00 175.52 174.42 2qpk s HIS 426 N -3.17 1.84 -0.21 3.16 3.76 -0.59 -5.09 115.29 114.99 2qpk s HIS 426 Ca 0.07 -0.90 0.04 0.00 -0.15 0.00 0.00 55.06 54.12 2qpk s HIS 426 Cb 0.12 -1.73 0.09 0.00 1.11 0.00 0.00 32.58 32.17 2qpk s HIS 426 CO 0.68 0.01 1.07 0.36 -0.85 0.00 0.00 174.74 176.01 2qpk n LYS 427 N -1.41 2.88 -4.20 1.40 2.85 -1.26 -4.61 118.16 113.81 2qpk n LYS 427 Ca -0.13 -1.70 -0.30 0.00 -1.05 0.00 0.00 58.31 55.14 2qpk n LYS 427 Cb 0.66 -1.10 -0.09 0.00 -0.65 0.00 0.00 35.03 33.85 2qpk n LYS 427 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2qpk s ILE 428 N -1.12 3.52 -1.25 0.58 -4.36 -1.26 -5.01 121.20 112.30 2qpk s ILE 428 Ca 0.07 -1.23 -0.09 0.00 -0.26 0.00 0.00 60.65 59.15 2qpk s ILE 428 Cb 0.05 -2.66 0.19 0.00 1.25 0.00 0.00 42.46 41.28 2qpk s ILE 428 CO 0.04 0.10 1.80 1.41 0.24 0.00 0.00 174.94 178.52 2qpk n HIS 429 N 0.62 2.91 -2.17 1.37 8.25 -1.26 -4.36 115.22 120.58 2qpk n HIS 429 Ca -0.13 -2.78 0.00 0.00 -0.26 0.00 0.00 57.72 54.56 2qpk n HIS 429 Cb 0.52 -1.85 -0.00 0.00 1.12 0.00 0.00 29.99 29.78 2qpk n HIS 429 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qpk n GLY 430 N 2.62 0.75 3.96 -1.41 0.00 -0.93 -4.40 105.19 105.77 2qpk n GLY 430 Ca 0.38 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2qpk n GLY 430 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qpk s PHE 431 N 0.00 3.09 -0.26 1.61 0.40 0.21 -4.72 117.98 118.30 2qpk s PHE 431 Ca 0.11 0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.64 2qpk s PHE 431 Cb 0.13 -2.52 0.07 0.00 0.51 0.00 0.00 43.02 41.21 2qpk s PHE 431 CO -0.06 -0.60 -0.03 0.34 0.70 0.00 0.00 175.22 175.57 2qpk s ASP 432 N -4.30 4.15 0.36 1.36 -1.08 -1.26 -1.30 116.67 114.60 2qpk s ASP 432 Ca 0.52 -1.43 0.06 0.00 -0.52 0.00 0.00 52.55 51.18 2qpk s ASP 432 Cb -0.10 -1.31 0.69 0.00 -1.46 0.00 0.00 42.92 40.74 2qpk s ASP 432 CO 0.39 -0.27 1.92 0.25 0.52 0.00 0.00 175.17 177.98 2qpk h LEU 433 N 7.87 0.45 -0.23 -1.34 5.85 -1.60 -0.29 115.31 126.01 2qpk h LEU 433 Ca -0.15 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 2qpk h LEU 433 Cb 1.05 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 2qpk h LEU 433 CO 0.45 0.49 -0.05 0.00 -0.34 0.00 0.00 178.44 178.98 2qpk h ALA 434 N 1.58 0.32 -0.39 1.25 0.00 -1.90 0.63 119.26 120.75 2qpk h ALA 434 Ca 0.11 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2qpk h ALA 434 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2qpk h ALA 434 CO 0.00 0.10 -0.20 0.00 0.00 0.00 0.00 179.25 179.15 2qpk h ALA 435 N 0.76 0.92 -0.47 0.00 0.00 -1.77 -1.31 119.26 117.37 2qpk h ALA 435 Ca 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2qpk h ALA 435 Cb 0.51 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2qpk h ALA 435 CO 0.02 0.62 0.24 0.82 0.00 0.00 0.00 179.25 180.95 2qpk h ILE 436 N 0.66 1.18 -0.58 0.00 2.04 -0.84 -0.61 117.51 119.36 2qpk h ILE 436 Ca 0.10 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.50 2qpk h ILE 436 Cb 0.70 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2qpk h ILE 436 CO 0.05 0.19 0.37 0.78 0.00 0.00 0.00 178.15 179.54 2qpk h ASN 437 N 0.62 0.61 -0.04 1.72 -0.26 -0.46 1.00 115.58 118.76 2qpk h ASN 437 Ca 0.16 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2qpk h ASN 437 Cb 0.09 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.21 2qpk h ASN 437 CO -0.02 0.43 0.03 -0.07 -1.06 0.00 0.00 177.43 176.73 2qpk h LEU 438 N 0.73 0.05 -0.73 1.61 3.38 -1.02 -1.35 115.31 117.98 2qpk h LEU 438 Ca 0.23 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.19 2qpk h LEU 438 Cb -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2qpk h LEU 438 CO -0.08 0.05 0.48 -0.61 0.09 0.00 0.00 178.44 178.37 2qpk h GLN 439 N 0.04 0.95 -0.26 1.13 5.75 -0.88 -2.16 115.11 119.69 2qpk h GLN 439 Ca 0.01 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 2qpk h GLN 439 Cb 0.01 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 2qpk h GLN 439 CO -0.00 0.63 -0.01 -0.09 -2.65 0.00 0.00 178.83 176.71 2qpk h ARG 440 N 0.98 0.38 -0.33 1.69 9.65 -0.57 -0.29 114.38 125.89 2qpk h ARG 440 Ca 0.27 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 59.12 2qpk h ARG 440 Cb -0.09 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.39 2qpk h ARG 440 CO -0.07 0.42 0.13 0.00 2.80 0.00 0.00 179.97 183.25 2qpk h ARG 442 N 0.28 0.73 -0.89 0.00 3.08 -1.26 -2.35 114.38 113.96 2qpk h ARG 442 Ca 0.15 -0.26 0.10 0.00 0.07 0.00 0.00 59.98 60.04 2qpk h ARG 442 Cb 0.10 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 2qpk h ARG 442 CO -0.14 0.85 0.53 0.22 -1.07 0.00 0.00 179.97 180.36 2qpk h ASP 443 N 0.55 0.78 -0.22 7.04 3.58 -0.68 -1.25 116.42 126.22 2qpk h ASP 443 Ca 0.11 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2qpk h ASP 443 Cb 0.55 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2qpk h ASP 443 CO 0.03 0.43 0.00 1.41 -2.88 0.00 0.00 179.24 178.23 2qpk n HIS 444 N -4.69 0.35 -3.67 0.28 8.25 0.26 -4.87 115.22 111.14 2qpk n HIS 444 Ca 0.15 -0.16 -0.23 0.00 -0.26 0.00 0.00 57.72 57.22 2qpk n HIS 444 Cb 0.30 -0.04 0.05 0.00 1.12 0.00 0.00 29.99 31.43 2qpk n HIS 444 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qpk n GLY 445 N 0.74 -0.42 3.75 -1.41 0.00 -0.47 -4.87 105.19 102.51 2qpk n GLY 445 Ca 0.08 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 2qpk n GLY 445 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qpk s MET 446 N -6.08 4.63 0.84 1.61 -1.94 -0.91 -0.48 119.30 116.97 2qpk s MET 446 Ca 0.31 1.75 -0.11 0.00 -1.71 0.00 0.00 55.69 55.92 2qpk s MET 446 Cb -0.15 -3.24 0.10 0.00 2.01 0.00 0.00 34.83 33.56 2qpk s MET 446 CO 0.78 0.16 1.15 -2.14 -0.01 0.00 0.00 175.02 174.96 2qpk s PRO 447 N -0.91 1.58 1.04 2.03 0.02 -1.26 -4.67 135.00 132.83 2qpk s PRO 447 Ca 0.47 1.51 -0.17 0.00 0.02 0.00 0.00 61.00 62.83 2qpk s PRO 447 Cb -0.30 -1.79 0.22 0.00 0.02 0.00 0.00 34.50 32.65 2qpk s PRO 447 CO 0.38 -2.21 1.24 0.20 -0.33 0.00 0.00 177.00 176.28 2qpk s GLY 448 N -2.68 1.70 0.24 0.52 0.00 -1.26 -4.53 107.32 101.31 2qpk s GLY 448 Ca 0.67 -1.07 -0.05 0.00 0.00 0.00 0.00 44.72 44.27 2qpk s GLY 448 CO 0.54 -0.28 1.74 -1.82 0.00 0.00 0.00 173.10 173.28 2qpk h TYR 449 N -1.94 0.51 0.00 1.90 3.20 -1.13 -2.09 116.97 117.43 2qpk h TYR 449 Ca -0.45 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.38 2qpk h TYR 449 Cb 1.26 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 2qpk h TYR 449 CO -1.38 0.09 -0.37 -0.91 -1.64 0.00 0.00 178.16 173.96 2qpk h ASN 450 N 0.46 0.00 -0.47 -2.11 2.35 -1.80 -1.14 115.58 112.87 2qpk h ASN 450 Ca 0.39 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.08 2qpk h ASN 450 Cb 0.56 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 2qpk h ASN 450 CO -0.37 0.37 0.04 0.28 -1.65 0.00 0.00 177.43 176.10 2qpk h SER 451 N 0.00 0.78 0.01 5.81 0.02 -1.71 -2.14 113.55 116.31 2qpk h SER 451 Ca -0.00 -0.28 -0.17 0.00 -0.84 0.00 0.00 61.79 60.49 2qpk h SER 451 Cb 0.88 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2qpk h SER 451 CO 0.05 0.87 -0.60 -0.50 -1.14 0.00 0.00 176.83 175.51 2qpk h TRP 452 N 0.67 0.76 -0.48 3.45 4.06 -1.30 -2.01 115.95 121.10 2qpk h TRP 452 Ca 0.14 -0.29 0.05 0.00 2.06 0.00 0.00 58.89 60.85 2qpk h TRP 452 Cb 0.44 -0.14 -0.05 0.00 -1.00 0.00 0.00 29.16 28.42 2qpk h TRP 452 CO 0.03 1.05 0.21 0.00 -3.56 0.00 0.00 178.44 176.17 2qpk h ARG 453 N 0.45 0.40 -0.61 0.49 2.47 -1.16 -2.05 114.38 114.37 2qpk h ARG 453 Ca -0.00 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2qpk h ARG 453 Cb 1.17 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.37 2qpk h ARG 453 CO 0.11 0.27 0.35 0.78 0.56 0.00 0.00 179.97 182.04 2qpk h GLY 454 N 0.41 0.91 0.60 0.04 0.00 -1.29 0.18 103.07 103.92 2qpk h GLY 454 Ca 0.22 -0.40 0.15 0.00 0.00 0.00 0.00 47.33 47.29 2qpk h GLY 454 CO -0.18 0.39 0.54 -2.75 0.00 0.00 0.00 176.54 174.53 2qpk h PHE 455 N 0.83 0.61 -0.32 5.60 3.57 -0.94 0.24 116.94 126.54 2qpk h PHE 455 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2qpk h PHE 455 Cb 0.03 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2qpk h PHE 455 CO -0.01 0.22 0.00 0.00 -2.23 0.00 0.00 178.31 176.29 2qpk n GLY 457 N 1.33 0.07 3.75 0.00 0.00 0.07 -5.03 105.19 105.39 2qpk n GLY 457 Ca 0.18 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 2qpk n GLY 457 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qpk s LEU 458 N -2.30 3.61 0.89 0.99 1.43 0.53 -4.99 118.68 118.84 2qpk s LEU 458 Ca 0.00 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 2qpk s LEU 458 Cb 0.00 -2.24 0.08 0.00 0.03 0.00 0.00 46.19 44.05 2qpk s LEU 458 CO 0.00 0.08 0.84 -1.54 0.23 0.00 0.00 176.35 175.96 2qpk n SER 459 N -0.23 -0.52 -3.84 2.29 3.41 -1.26 -3.95 113.62 109.52 2qpk n SER 459 Ca -0.09 0.44 -0.30 0.00 -0.26 0.00 0.00 58.87 58.66 2qpk n SER 459 Cb 0.55 -1.36 -0.15 0.00 -0.26 0.00 0.00 64.21 62.98 2qpk n SER 459 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2qpk s GLN 460 N -3.98 1.01 0.29 4.33 -0.21 -1.26 -4.77 119.66 115.07 2qpk s GLN 460 Ca 0.65 -1.33 -0.30 0.00 0.02 0.00 0.00 55.36 54.40 2qpk s GLN 460 Cb -0.25 -2.43 -0.11 0.00 1.00 0.00 0.00 33.01 31.22 2qpk s GLN 460 CO 0.60 -0.95 1.52 -1.25 -2.12 0.00 0.00 175.29 173.09 2qpk s PRO 461 N 1.37 4.18 -0.01 2.91 0.04 -1.26 -4.90 135.00 137.32 2qpk s PRO 461 Ca 0.09 2.47 0.09 0.00 0.04 0.00 0.00 61.00 63.69 2qpk s PRO 461 Cb -0.18 -3.05 -0.13 0.00 0.04 0.00 0.00 34.50 31.18 2qpk s PRO 461 CO -0.18 -0.53 0.22 1.63 0.04 0.00 0.00 177.00 178.18 2qpk n LYS 462 N 1.98 0.96 -4.48 4.56 4.76 -1.26 -4.58 118.16 120.11 2qpk n LYS 462 Ca 0.06 -0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 2qpk n LYS 462 Cb 0.39 -1.15 -0.10 0.00 -1.84 0.00 0.00 35.03 32.32 2qpk n LYS 462 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2qpk s THR 463 N -2.46 2.10 0.28 -0.18 -4.23 -1.26 -4.71 115.64 105.18 2qpk s THR 463 Ca -0.02 -2.24 0.00 0.00 -1.18 0.00 0.00 61.69 58.25 2qpk s THR 463 Cb 0.06 -2.45 0.28 0.00 1.34 0.00 0.00 72.50 71.73 2qpk s THR 463 CO 0.36 -0.32 1.85 0.25 -0.54 0.00 0.00 174.62 176.22 2qpk h LEU 464 N 2.20 0.97 -0.46 4.79 6.46 -1.95 0.30 115.31 127.61 2qpk h LEU 464 Ca -0.41 0.03 -0.17 0.00 -0.12 0.00 0.00 57.88 57.22 2qpk h LEU 464 Cb 1.25 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 2qpk h LEU 464 CO 0.66 0.55 -0.69 0.50 -0.62 0.00 0.00 178.44 178.84 2qpk h LYS 465 N 1.06 0.37 -0.57 1.25 1.63 -1.98 0.12 116.57 118.44 2qpk h LYS 465 Ca 0.48 -0.29 -0.08 0.00 -0.85 0.00 0.00 60.65 59.91 2qpk h LYS 465 Cb 0.38 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2qpk h LYS 465 CO -0.23 0.92 0.05 0.78 -3.45 0.00 0.00 179.45 177.52 2qpk h GLY 466 N 1.34 1.05 2.00 5.01 0.00 -1.60 -2.87 103.07 108.00 2qpk h GLY 466 Ca -0.02 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.49 2qpk h GLY 466 CO 0.12 0.68 -0.40 -2.00 0.00 0.00 0.00 176.54 174.94 2qpk h LEU 467 N 0.87 0.00 -0.41 3.11 5.85 0.14 -2.48 115.31 122.39 2qpk h LEU 467 Ca 0.17 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 2qpk h LEU 467 Cb 0.48 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2qpk h LEU 467 CO 0.02 0.40 -0.12 1.56 -0.34 0.00 0.00 178.44 179.95 2qpk h GLN 468 N 0.00 0.80 -0.45 1.25 4.20 -0.67 -1.55 115.11 118.69 2qpk h GLN 468 Ca -0.00 -0.32 -0.10 0.00 0.06 0.00 0.00 58.65 58.28 2qpk h GLN 468 Cb 0.82 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2qpk h GLN 468 CO 0.05 0.94 -0.13 1.15 -0.67 0.00 0.00 178.83 180.17 2qpk h THR 469 N 0.61 1.26 -0.06 -0.54 2.02 -1.28 0.77 112.91 115.70 2qpk h THR 469 Ca 0.10 -1.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 2qpk h THR 469 Cb 0.66 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2qpk h THR 469 CO 0.05 0.42 -0.13 0.58 0.37 0.00 0.00 175.52 176.80 2qpk h VAL 470 N 0.75 1.43 0.00 3.16 2.07 -1.39 -3.22 116.25 119.05 2qpk h VAL 470 Ca 0.12 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2qpk h VAL 470 Cb 0.64 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2qpk h VAL 470 CO 0.04 0.41 0.00 -0.07 0.02 0.00 0.00 177.57 177.97 2qpk h LEU 471 N -0.31 0.00 -0.45 2.57 4.07 -1.27 -3.42 115.31 116.50 2qpk h LEU 471 Ca -0.00 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 57.53 2qpk h LEU 471 Cb 0.73 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.51 2qpk h LEU 471 CO 0.03 0.00 -0.69 0.29 -1.08 0.00 0.00 178.44 176.99 2qpk n LYS 472 N -2.96 -6.17 -3.35 1.13 5.02 0.27 -4.44 118.16 107.65 2qpk n LYS 472 Ca 0.03 0.73 -0.09 0.00 -2.02 0.00 0.00 58.31 56.96 2qpk n LYS 472 Cb 0.45 -5.67 -0.08 0.00 -0.02 0.00 0.00 35.03 29.72 2qpk n LYS 472 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2qpk s ASN 473 N -3.15 0.20 0.06 4.39 3.84 -1.07 -5.03 114.94 114.16 2qpk s ASN 473 Ca 0.55 0.26 -0.29 0.00 0.21 0.00 0.00 52.86 53.59 2qpk s ASN 473 Cb -0.26 1.14 -0.18 0.00 -0.55 0.00 0.00 41.25 41.40 2qpk s ASN 473 CO 0.68 -0.30 1.52 0.11 -2.79 0.00 0.00 177.10 176.33 2qpk h LYS 474 N 8.18 -0.61 -0.06 0.43 1.57 -1.93 -2.56 116.57 121.58 2qpk h LYS 474 Ca -0.19 0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.47 2qpk h LYS 474 Cb 1.15 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 2qpk h LYS 474 CO 0.27 -0.36 -0.66 -0.84 -0.57 0.00 0.00 179.45 177.29 2qpk h ILE 475 N -0.73 1.40 -0.34 1.86 3.07 -1.99 -2.39 117.51 118.39 2qpk h ILE 475 Ca -0.06 -2.09 -0.01 0.00 1.55 0.00 0.00 64.86 64.25 2qpk h ILE 475 Cb 0.53 2.08 -0.02 0.00 -0.27 0.00 0.00 36.82 39.14 2qpk h ILE 475 CO 0.11 0.62 0.19 0.25 -1.05 0.00 0.00 178.15 178.26 2qpk h LEU 476 N 0.19 0.42 -1.11 0.16 5.85 -1.97 -1.39 115.31 117.46 2qpk h LEU 476 Ca -0.01 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.72 2qpk h LEU 476 Cb 1.19 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 2qpk h LEU 476 CO 0.10 0.38 0.61 0.00 -0.34 0.00 0.00 178.44 179.19 2qpk h ALA 477 N 1.06 1.55 -0.30 1.25 0.00 -1.37 -1.22 119.26 120.24 2qpk h ALA 477 Ca 0.12 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 2qpk h ALA 477 Cb 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qpk h ALA 477 CO -0.02 0.26 -0.49 -0.22 0.00 0.00 0.00 179.25 178.78 2qpk h LYS 478 N 0.98 0.82 -0.23 0.00 3.64 -0.91 -1.04 116.57 119.84 2qpk h LYS 478 Ca 0.44 -0.49 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 2qpk h LYS 478 Cb 0.36 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2qpk h LYS 478 CO -0.19 1.12 -0.34 0.87 -2.27 0.00 0.00 179.45 178.64 2qpk h LYS 479 N 0.65 0.49 -0.37 1.90 1.57 -0.82 -1.82 116.57 118.17 2qpk h LYS 479 Ca 0.03 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2qpk h LYS 479 Cb 1.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2qpk h LYS 479 CO 0.11 0.77 0.20 -0.07 -0.57 0.00 0.00 179.45 179.89 2qpk h LEU 480 N 0.42 0.46 -0.56 2.94 4.07 -0.95 -2.78 115.31 118.91 2qpk h LEU 480 Ca 0.05 -0.09 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 2qpk h LEU 480 Cb 0.80 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 2qpk h LEU 480 CO 0.06 0.42 0.09 0.24 -1.08 0.00 0.00 178.44 178.17 2qpk h MET 481 N 0.47 0.93 -0.07 1.13 2.86 -1.01 -1.13 114.93 118.11 2qpk h MET 481 Ca 0.13 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2qpk h MET 481 Cb 0.06 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 2qpk h MET 481 CO -0.02 0.90 -0.01 -0.44 1.06 0.00 0.00 176.91 178.39 2qpk h ASP 482 N 0.82 0.08 0.15 1.22 3.32 -1.29 0.67 116.42 121.40 2qpk h ASP 482 Ca 0.17 -0.01 -0.36 0.00 0.02 0.00 0.00 57.03 56.85 2qpk h ASP 482 Cb 0.42 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2qpk h ASP 482 CO 0.01 0.12 -1.99 0.18 -1.72 0.00 0.00 179.24 175.84 2qpk n LEU 483 N -4.46 2.52 -0.01 1.55 4.77 -1.06 -4.60 117.00 115.71 2qpk n LEU 483 Ca -0.02 0.22 0.08 0.00 -0.03 0.00 0.00 56.01 56.26 2qpk n LEU 483 Cb 0.13 -1.03 -0.15 0.00 -2.33 0.00 0.00 43.42 40.05 2qpk n LEU 483 CO 0.35 0.83 -0.75 -1.22 -1.33 0.00 0.00 177.39 175.26 2qpk n TYR 484 N -3.45 0.00 -0.25 -1.77 4.01 -0.44 -4.15 117.16 111.10 2qpk n TYR 484 Ca -0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 2qpk n TYR 484 Cb 1.05 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 2qpk n TYR 484 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2qpk n LYS 485 N -2.19 0.00 -3.64 -0.72 4.76 0.23 -4.77 118.16 111.83 2qpk n LYS 485 Ca -0.05 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.32 2qpk n LYS 485 Cb 0.54 -3.56 -0.07 0.00 -1.84 0.00 0.00 35.03 30.09 2qpk n LYS 485 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2qpk s THR 486 N -1.66 0.00 -0.32 -0.18 -1.32 -1.26 -5.01 115.64 105.89 2qpk s THR 486 Ca 0.00 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.70 2qpk s THR 486 Cb 0.00 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.22 2qpk s THR 486 CO 0.00 0.00 1.67 -2.65 -2.21 0.00 0.00 174.62 171.43 2qpk n PRO 487 N 2.41 0.16 0.21 7.08 -0.02 -1.26 -1.63 135.00 141.95 2qpk n PRO 487 Ca -0.13 0.55 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 2qpk n PRO 487 Cb 0.56 -1.92 0.48 0.00 -0.02 0.00 0.00 33.50 32.60 2qpk n PRO 487 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2qpk h ASP 488 N 0.00 0.00 0.16 2.55 3.32 -1.94 -3.05 116.42 117.46 2qpk h ASP 488 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qpk h ASP 488 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2qpk h ASP 488 CO 0.00 0.28 -0.29 0.59 -1.72 0.00 0.00 179.24 178.10 2qpk n ASN 489 N -3.83 1.31 -4.64 6.45 4.13 -0.65 -4.04 115.26 113.99 2qpk n ASN 489 Ca -0.01 -1.09 -0.42 0.00 1.68 0.00 0.00 54.58 54.73 2qpk n ASN 489 Cb 0.37 0.21 -0.03 0.00 -1.54 0.00 0.00 39.78 38.79 2qpk n ASN 489 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2qpk s ILE 490 N -2.46 3.36 0.30 2.41 1.01 -1.15 -4.84 121.20 119.81 2qpk s ILE 490 Ca 0.24 0.41 -0.28 0.00 0.00 0.00 0.00 60.65 61.02 2qpk s ILE 490 Cb 0.19 -3.32 -0.14 0.00 0.01 0.00 0.00 42.46 39.20 2qpk s ILE 490 CO 0.52 -0.10 1.07 0.47 0.00 0.00 0.00 174.94 176.90 2qpk n ASP 491 N 8.37 1.57 -0.24 3.58 8.00 -1.26 -0.84 116.55 135.74 2qpk n ASP 491 Ca 0.20 1.18 -0.06 0.00 0.71 0.00 0.00 54.79 56.83 2qpk n ASP 491 Cb 0.43 -1.32 0.09 0.00 -0.02 0.00 0.00 41.12 40.30 2qpk n ASP 491 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2qpk h ILE 492 N 2.11 1.25 -0.44 0.53 2.10 -1.89 -0.21 117.51 120.96 2qpk h ILE 492 Ca -0.41 -0.89 0.07 0.00 1.08 0.00 0.00 64.86 64.72 2qpk h ILE 492 Cb 1.33 0.48 -0.06 0.00 -1.09 0.00 0.00 36.82 37.48 2qpk h ILE 492 CO 0.61 0.35 0.10 -0.25 -1.08 0.00 0.00 178.15 177.88 2qpk h TRP 493 N 1.05 0.16 0.19 2.19 7.01 -1.90 0.62 115.95 125.27 2qpk h TRP 493 Ca 0.23 0.03 -0.31 0.00 2.11 0.00 0.00 58.89 60.95 2qpk h TRP 493 Cb 0.30 -0.01 0.02 0.00 -2.10 0.00 0.00 29.16 27.37 2qpk h TRP 493 CO 0.02 0.02 -1.37 0.97 -2.79 0.00 0.00 178.44 175.29 2qpk h ILE 494 N 0.24 1.38 -0.15 2.65 6.09 -1.90 -2.86 117.51 122.96 2qpk h ILE 494 Ca 0.22 -2.89 0.00 0.00 -1.37 0.00 0.00 64.86 60.82 2qpk h ILE 494 Cb 0.26 2.98 -0.01 0.00 0.47 0.00 0.00 36.82 40.53 2qpk h ILE 494 CO -0.27 0.86 0.10 1.23 -3.07 0.00 0.00 178.15 176.99 2qpk h GLY 495 N 0.95 0.21 1.00 8.18 0.00 -0.73 -1.75 103.07 110.95 2qpk h GLY 495 Ca -0.20 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2qpk h GLY 495 CO 0.23 0.08 0.42 -1.33 0.00 0.00 0.00 176.54 175.94 2qpk h GLY 496 N 0.20 0.93 2.00 4.60 0.00 0.17 -2.74 103.07 108.22 2qpk h GLY 496 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2qpk h GLY 496 CO -0.01 0.35 0.00 0.70 0.00 0.00 0.00 176.54 177.58 2qpk n ASN 497 N -4.61 0.59 0.04 0.19 4.13 -1.08 -3.31 115.26 111.20 2qpk n ASN 497 Ca 0.05 0.57 0.13 0.00 1.68 0.00 0.00 54.58 57.01 2qpk n ASN 497 Cb 0.03 -0.72 0.45 0.00 -1.54 0.00 0.00 39.78 38.00 2qpk n ASN 497 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qpk n ALA 498 N -1.71 2.55 -1.79 5.41 0.00 -0.67 -4.87 120.51 119.43 2qpk n ALA 498 Ca 0.05 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 2qpk n ALA 498 Cb 0.37 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 2qpk n ALA 498 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qpk s GLU 499 N -3.05 4.30 0.57 0.00 2.02 -1.21 -4.88 118.70 116.45 2qpk s GLU 499 Ca 0.12 1.35 -0.20 0.00 0.02 0.00 0.00 54.97 56.25 2qpk s GLU 499 Cb 0.16 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 2qpk s GLU 499 CO 0.60 0.01 1.25 -2.14 0.02 0.00 0.00 175.26 175.00 2qpk s PRO 500 N -2.55 3.09 0.32 0.39 0.02 -1.26 -4.37 135.00 130.64 2qpk s PRO 500 Ca 0.57 1.96 -0.29 0.00 0.02 0.00 0.00 61.00 63.26 2qpk s PRO 500 Cb -0.17 -2.08 -0.10 0.00 0.02 0.00 0.00 34.50 32.17 2qpk s PRO 500 CO 0.22 -1.15 1.23 -1.64 -0.33 0.00 0.00 177.00 175.33 2qpk s MET 501 N -3.12 4.41 0.80 5.54 -1.94 -1.26 -3.94 119.30 119.79 2qpk s MET 501 Ca 0.74 2.05 -0.11 0.00 -1.71 0.00 0.00 55.69 56.66 2qpk s MET 501 Cb -0.34 -3.06 0.07 0.00 2.01 0.00 0.00 34.83 33.51 2qpk s MET 501 CO 0.38 -0.08 1.09 0.14 -0.01 0.00 0.00 175.02 176.54 2qpk s VAL 502 N -1.18 3.20 0.20 -6.03 -7.23 -0.46 -4.89 120.40 104.01 2qpk s VAL 502 Ca 0.48 0.39 -0.33 0.00 -1.81 0.00 0.00 61.98 60.72 2qpk s VAL 502 Cb -0.36 -2.91 -0.13 0.00 0.56 0.00 0.00 36.38 33.54 2qpk s VAL 502 CO 0.48 -0.51 1.58 1.21 -0.31 0.00 0.00 175.10 177.54 2qpk n GLU 503 N -3.58 2.32 -0.94 4.82 2.13 -1.26 -1.94 120.64 122.19 2qpk n GLU 503 Ca 0.08 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.74 2qpk n GLU 503 Cb 0.54 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.65 2qpk n GLU 503 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2qpk n ARG 504 N 3.11 -1.22 -1.19 5.31 5.12 -1.26 -2.06 116.66 124.48 2qpk n ARG 504 Ca 0.15 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.37 2qpk n ARG 504 Cb 0.31 -4.39 0.00 0.00 -1.16 0.00 0.00 32.46 27.23 2qpk n ARG 504 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qpk n GLY 505 N -0.39 5.58 0.20 -0.13 0.00 -0.82 -3.92 105.19 105.71 2qpk n GLY 505 Ca 0.00 -2.14 0.01 0.00 0.00 0.00 0.00 46.02 43.89 2qpk n GLY 505 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qpk n ARG 506 N -0.01 0.32 -4.09 1.61 5.12 0.51 -4.74 116.66 115.38 2qpk n ARG 506 Ca 0.00 -0.92 -0.08 0.00 -1.93 0.00 0.00 57.85 54.91 2qpk n ARG 506 Cb 0.00 -0.61 -0.10 0.00 -1.16 0.00 0.00 32.46 30.60 2qpk n ARG 506 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2qpk s VAL 507 N -0.28 0.15 0.29 1.55 -7.23 -1.24 -4.96 120.40 108.69 2qpk s VAL 507 Ca 0.02 -1.79 -0.03 0.00 -1.81 0.00 0.00 61.98 58.38 2qpk s VAL 507 Cb 0.02 -1.77 0.06 0.00 0.56 0.00 0.00 36.38 35.26 2qpk s VAL 507 CO 0.00 -0.69 0.40 0.61 -0.31 0.00 0.00 175.10 175.11 2qpk n GLY 508 N -0.01 -0.15 0.36 2.32 0.00 -1.25 -1.36 105.19 105.09 2qpk n GLY 508 Ca -0.10 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 2qpk n GLY 508 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qpk h PRO 509 N 0.00 -0.59 -0.21 1.61 0.11 -1.92 -0.16 132.00 130.84 2qpk h PRO 509 Ca -0.13 0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.07 2qpk h PRO 509 Cb 0.42 0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.62 2qpk h PRO 509 CO 0.12 -0.40 -0.09 1.25 -0.21 0.00 0.00 178.00 178.68 2qpk h LEU 510 N -0.62 -0.29 -0.70 2.35 5.85 -1.96 -1.51 115.31 118.43 2qpk h LEU 510 Ca 0.01 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2qpk h LEU 510 Cb 0.61 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2qpk h LEU 510 CO -0.14 -0.11 0.07 -0.07 -0.34 0.00 0.00 178.44 177.85 2qpk h LEU 511 N -0.05 1.03 -0.89 2.25 4.07 -1.81 -1.91 115.31 118.01 2qpk h LEU 511 Ca 0.11 -0.26 0.05 0.00 0.08 0.00 0.00 57.88 57.87 2qpk h LEU 511 Cb 0.22 -0.27 -0.06 0.00 1.08 0.00 0.00 40.66 41.62 2qpk h LEU 511 CO -0.24 1.04 0.56 0.00 -1.08 0.00 0.00 178.44 178.72 2qpk h ALA 512 N 1.07 1.21 -0.06 1.53 0.00 -0.71 0.60 119.26 122.90 2qpk h ALA 512 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2qpk h ALA 512 Cb 0.47 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qpk h ALA 512 CO 0.02 0.35 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 2qpk h LEU 514 N -0.23 0.27 0.06 0.00 3.38 -0.92 -1.74 115.31 116.12 2qpk h LEU 514 Ca 0.01 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2qpk h LEU 514 Cb 0.40 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2qpk h LEU 514 CO 0.01 0.50 -0.03 -0.07 0.09 0.00 0.00 178.44 178.94 2qpk h LEU 515 N 0.03 -0.06 -0.41 1.67 3.38 0.17 -3.02 115.31 117.06 2qpk h LEU 515 Ca 0.05 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2qpk h LEU 515 Cb 0.36 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2qpk h LEU 515 CO 0.01 0.07 0.16 1.23 0.09 0.00 0.00 178.44 180.00 2qpk h GLY 516 N -0.20 0.54 0.46 0.83 0.00 -0.71 -2.02 103.07 101.97 2qpk h GLY 516 Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.28 2qpk h GLY 516 CO 0.01 0.05 -0.02 3.21 0.00 0.00 0.00 176.54 179.79 2qpk h ARG 517 N 0.34 0.06 -0.07 4.80 3.08 -1.37 -1.28 114.38 119.94 2qpk h ARG 517 Ca 0.18 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.25 2qpk h ARG 517 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2qpk h ARG 517 CO -0.17 0.04 -0.04 0.37 -1.07 0.00 0.00 179.97 179.10 2qpk h GLN 518 N 0.06 -0.03 -0.47 0.04 5.75 -1.34 -1.65 115.11 117.47 2qpk h GLN 518 Ca 0.15 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.61 2qpk h GLN 518 Cb 0.22 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 2qpk h GLN 518 CO -0.28 -0.02 0.12 0.74 -2.65 0.00 0.00 178.83 176.73 2qpk h PHE 519 N -0.04 0.72 -0.40 3.99 0.04 -1.18 -1.77 116.94 118.30 2qpk h PHE 519 Ca 0.04 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2qpk h PHE 519 Cb 0.10 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 2qpk h PHE 519 CO -0.15 0.61 0.21 0.37 -0.60 0.00 0.00 178.31 178.76 2qpk h GLN 520 N 0.68 0.57 -0.52 1.51 -0.00 -0.94 -2.50 115.11 113.92 2qpk h GLN 520 Ca 0.16 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.65 2qpk h GLN 520 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.61 2qpk h GLN 520 CO -0.00 0.47 0.02 1.96 0.00 0.00 0.00 178.83 181.28 2qpk h GLN 521 N 0.52 0.91 0.00 1.69 4.20 -0.79 0.11 115.11 121.75 2qpk h GLN 521 Ca 0.14 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2qpk h GLN 521 Cb 0.08 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2qpk h GLN 521 CO -0.02 0.92 0.00 -0.84 -0.67 0.00 0.00 178.83 178.22 2qpk h ILE 522 N 0.78 0.00 0.00 2.54 3.07 -1.29 -0.36 117.51 122.25 2qpk h ILE 522 Ca 0.15 -0.47 -0.04 0.00 1.55 0.00 0.00 64.86 66.05 2qpk h ILE 522 Cb 0.50 1.38 -0.01 0.00 -0.27 0.00 0.00 36.82 38.43 2qpk h ILE 522 CO 0.02 0.00 -0.30 -0.09 -1.05 0.00 0.00 178.15 176.73 2qpk h ARG 523 N 0.00 0.00 0.00 0.16 2.43 -1.12 -3.30 114.38 112.55 2qpk h ARG 523 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2qpk h ARG 523 Cb 0.54 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2qpk h ARG 523 CO 0.00 0.46 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.27 2qpk h ASP 524 N -1.00 0.00 -0.62 -3.80 5.19 -0.75 -2.88 116.42 112.55 2qpk h ASP 524 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2qpk h ASP 524 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2qpk h ASP 524 CO -0.03 0.20 0.00 0.61 -3.12 0.00 0.00 179.24 176.90 2qpk n GLY 525 N -0.81 2.84 3.46 2.75 0.00 -0.15 -1.32 105.19 111.96 2qpk n GLY 525 Ca -0.02 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 2qpk n GLY 525 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qpk s ASP 526 N -0.94 5.89 0.54 1.61 2.15 -1.09 -4.71 116.67 120.12 2qpk s ASP 526 Ca 0.51 -0.67 0.32 0.00 0.43 0.00 0.00 52.55 53.14 2qpk s ASP 526 Cb 0.34 -2.09 1.46 0.00 -0.30 0.00 0.00 42.92 42.33 2qpk s ASP 526 CO 0.23 -0.30 2.03 -0.09 -0.17 0.00 0.00 175.17 176.86 2qpk h ARG 527 N 8.48 0.00 -0.50 4.34 2.43 -1.89 -2.39 114.38 124.85 2qpk h ARG 527 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2qpk h ARG 527 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2qpk h ARG 527 CO 0.66 0.07 0.00 1.19 -1.51 0.00 0.00 179.97 180.38 2qpk n PHE 528 N -3.26 1.77 -1.72 2.20 3.01 -1.26 -4.90 117.46 113.30 2qpk n PHE 528 Ca -0.01 -0.76 -0.43 0.00 1.01 0.00 0.00 57.45 57.27 2qpk n PHE 528 Cb 0.28 -0.45 -0.02 0.00 -0.01 0.00 0.00 39.48 39.28 2qpk n PHE 528 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 2qpk n TRP 529 N 0.36 2.59 0.06 1.38 -0.00 -0.90 -4.84 117.44 116.09 2qpk n TRP 529 Ca 0.26 0.32 0.19 0.00 -0.00 0.00 0.00 57.50 58.27 2qpk n TRP 529 Cb 1.11 -2.54 0.72 0.00 -0.00 0.00 0.00 31.31 30.60 2qpk n TRP 529 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 177.69 177.80 2qpk h TRP 530 N 4.57 0.00 -0.01 5.87 5.08 -1.93 -0.39 115.95 129.16 2qpk h TRP 530 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 2qpk h TRP 530 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 2qpk h TRP 530 CO 0.58 0.00 -0.33 0.39 -1.28 0.00 0.00 178.44 177.79 2qpk n GLU 531 N -4.18 0.56 -2.09 0.12 1.02 -1.26 -4.48 120.64 110.33 2qpk n GLU 531 Ca 0.07 -0.32 -0.42 0.00 -0.02 0.00 0.00 57.16 56.47 2qpk n GLU 531 Cb 0.53 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 2qpk n GLU 531 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2qpk s ASN 532 N -2.67 6.73 -0.02 1.62 2.47 -0.16 -4.89 114.94 118.02 2qpk s ASN 532 Ca 0.20 2.14 -0.39 0.00 0.42 0.00 0.00 52.86 55.23 2qpk s ASN 532 Cb 0.19 -2.54 -0.18 0.00 -1.45 0.00 0.00 41.25 37.27 2qpk s ASN 532 CO 0.58 -0.88 1.28 -2.65 -3.72 0.00 0.00 177.10 171.70 2qpk n PRO 533 N 6.85 0.59 0.00 0.43 -0.02 -1.26 -1.79 135.00 139.80 2qpk n PRO 533 Ca 0.16 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2qpk n PRO 533 Cb 0.43 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2qpk n PRO 533 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qpk n GLY 534 N 2.32 3.33 0.08 -1.23 0.00 -1.26 -4.91 105.19 103.51 2qpk n GLY 534 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 2qpk n GLY 534 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qpk h VAL 535 N 0.00 1.54 -2.70 1.61 2.07 -1.67 -3.45 116.25 113.65 2qpk h VAL 535 Ca 0.00 -1.70 -0.49 0.00 0.82 0.00 0.00 66.70 65.33 2qpk h VAL 535 Cb 0.00 2.65 -0.14 0.00 -1.52 0.00 0.00 31.29 32.27 2qpk h VAL 535 CO 0.00 0.45 -0.70 -0.36 0.02 0.00 0.00 177.57 176.98 2qpk s PHE 536 N -3.40 1.89 0.59 1.57 0.40 -1.26 -5.12 117.98 112.65 2qpk s PHE 536 Ca -0.17 -0.63 -0.08 0.00 -0.60 0.00 0.00 56.93 55.45 2qpk s PHE 536 Cb 0.00 -1.00 -0.01 0.00 0.51 0.00 0.00 43.02 42.52 2qpk s PHE 536 CO 0.70 0.33 0.94 0.95 0.70 0.00 0.00 175.22 178.84 2qpk s THR 537 N -2.97 4.21 0.22 0.64 -4.23 -1.26 -4.86 115.64 107.39 2qpk s THR 537 Ca 0.27 0.35 -0.09 0.00 -1.18 0.00 0.00 61.69 61.04 2qpk s THR 537 Cb 0.02 -3.67 0.19 0.00 1.34 0.00 0.00 72.50 70.38 2qpk s THR 537 CO 0.10 -0.76 1.69 -0.08 -0.54 0.00 0.00 174.62 175.03 2qpk h GLU 538 N -0.19 0.21 -0.02 3.99 4.81 -2.00 0.13 114.58 121.50 2qpk h GLU 538 Ca -0.45 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.68 2qpk h GLU 538 Cb 1.23 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2qpk h GLU 538 CO 0.62 0.14 -0.39 0.87 -0.73 0.00 0.00 179.01 179.52 2qpk h LYS 539 N 0.21 0.04 -0.20 1.92 1.57 -1.97 -1.37 116.57 116.77 2qpk h LYS 539 Ca 0.34 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.92 2qpk h LYS 539 Cb 0.54 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 2qpk h LYS 539 CO -0.47 0.43 -0.60 1.96 -0.57 0.00 0.00 179.45 180.19 2qpk h GLN 540 N 0.04 0.67 -0.51 3.15 4.20 -1.38 -2.96 115.11 118.31 2qpk h GLN 540 Ca 0.00 -0.45 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 2qpk h GLN 540 Cb 0.70 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2qpk h GLN 540 CO 0.05 1.07 0.21 0.00 -0.67 0.00 0.00 178.83 179.50 2qpk h ARG 541 N 0.50 0.76 0.00 1.46 3.08 -0.19 -1.44 114.38 118.56 2qpk h ARG 541 Ca -0.00 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2qpk h ARG 541 Cb 1.18 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 2qpk h ARG 541 CO 0.12 0.67 -0.05 -0.44 -1.07 0.00 0.00 179.97 179.20 2qpk h ASP 542 N 0.69 0.00 0.41 7.04 3.32 -1.24 -2.42 116.42 124.22 2qpk h ASP 542 Ca 0.17 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.91 2qpk h ASP 542 Cb 0.18 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.75 2qpk h ASP 542 CO -0.02 0.05 -1.43 -1.28 -1.72 0.00 0.00 179.24 174.84 2qpk h SER 543 N 0.00 0.62 0.19 6.45 0.87 -1.24 -3.35 113.55 117.08 2qpk h SER 543 Ca -0.00 -0.70 -0.08 0.00 -1.23 0.00 0.00 61.79 59.78 2qpk h SER 543 Cb 0.10 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2qpk h SER 543 CO 0.01 1.56 -0.31 -0.07 -0.53 0.00 0.00 176.83 177.49 2qpk h LEU 544 N 0.11 0.18 0.00 2.23 3.38 -0.80 -3.02 115.31 117.39 2qpk h LEU 544 Ca -0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2qpk h LEU 544 Cb 2.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.78 2qpk h LEU 544 CO 0.23 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.25 2qpk n GLN 545 N -4.13 0.73 0.00 1.13 10.64 -1.03 -2.31 117.38 122.42 2qpk n GLN 545 Ca -0.01 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.27 2qpk n GLN 545 Cb 0.39 -1.18 0.08 0.00 -0.86 0.00 0.00 30.24 28.66 2qpk n GLN 545 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2qpk n LYS 546 N -0.68 2.01 -1.43 2.61 5.02 -1.14 -4.97 118.16 119.58 2qpk n LYS 546 Ca 0.06 -1.70 -0.33 0.00 -2.02 0.00 0.00 58.31 54.33 2qpk n LYS 546 Cb 0.03 -1.44 0.08 0.00 -0.02 0.00 0.00 35.03 33.68 2qpk n LYS 546 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qpk s VAL 547 N -1.99 2.84 0.03 -0.18 -7.23 -0.98 -4.79 120.40 108.10 2qpk s VAL 547 Ca 0.25 0.36 -0.25 0.00 -1.81 0.00 0.00 61.98 60.52 2qpk s VAL 547 Cb 0.19 -2.82 0.06 0.00 0.56 0.00 0.00 36.38 34.37 2qpk s VAL 547 CO 0.33 -0.27 0.59 -0.94 -0.31 0.00 0.00 175.10 174.50 2qpk s SER 548 N -2.59 -0.54 0.41 4.85 1.04 -1.26 -5.00 113.70 110.61 2qpk s SER 548 Ca 0.68 0.34 0.10 0.00 0.48 0.00 0.00 55.95 57.54 2qpk s SER 548 Cb -0.23 0.52 0.86 0.00 0.10 0.00 0.00 66.02 67.28 2qpk s SER 548 CO 0.47 -0.72 1.98 0.15 0.98 0.00 0.00 173.24 176.10 2qpk h PHE 549 N 2.75 0.27 -0.13 5.02 3.57 -1.96 -2.71 116.94 123.75 2qpk h PHE 549 Ca -0.30 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.20 2qpk h PHE 549 Cb 1.20 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 2qpk h PHE 549 CO 0.35 0.31 0.02 0.77 -2.23 0.00 0.00 178.31 177.53 2qpk h SER 550 N 0.26 -0.01 -0.67 0.41 0.02 -1.88 -2.15 113.55 109.54 2qpk h SER 550 Ca 0.06 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2qpk h SER 550 Cb 0.24 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2qpk h SER 550 CO 0.01 0.02 0.44 -0.09 -1.14 0.00 0.00 176.83 176.06 2qpk h ARG 551 N 0.07 0.89 -0.80 3.45 9.65 -1.80 -1.88 114.38 123.96 2qpk h ARG 551 Ca 0.06 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 2qpk h ARG 551 Cb 0.06 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 28.39 2qpk h ARG 551 CO -0.08 0.60 0.53 1.25 2.80 0.00 0.00 179.97 185.06 2qpk h LEU 552 N 0.92 0.88 -0.10 3.80 5.85 -1.11 -1.26 115.31 124.30 2qpk h LEU 552 Ca 0.25 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 2qpk h LEU 552 Cb -0.09 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 2qpk h LEU 552 CO -0.05 0.62 -0.08 0.40 -0.34 0.00 0.00 178.44 178.99 2qpk h ILE 553 N 1.03 1.35 -0.30 4.05 2.04 -0.84 -2.72 117.51 122.13 2qpk h ILE 553 Ca 0.30 -1.21 0.06 0.00 1.00 0.00 0.00 64.86 65.02 2qpk h ILE 553 Cb -0.05 1.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 2qpk h ILE 553 CO -0.08 0.34 -0.10 0.00 0.00 0.00 0.00 178.15 178.31 2qpk h ASP 555 N -0.05 0.00 0.00 0.00 3.32 -1.29 -3.33 116.42 115.07 2qpk h ASP 555 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2qpk h ASP 555 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2qpk h ASP 555 CO -0.33 0.00 -0.01 0.59 -1.72 0.00 0.00 179.24 177.77 2qpk n ASN 556 N -2.65 1.76 -2.03 6.45 3.02 -0.74 -5.05 115.26 116.01 2qpk n ASN 556 Ca 0.03 -1.96 -0.09 0.00 -0.03 0.00 0.00 54.58 52.53 2qpk n ASN 556 Cb 0.35 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 2qpk n ASN 556 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2qpk n THR 557 N -0.51 0.00 -1.02 3.41 -2.24 -0.36 -4.99 114.28 108.58 2qpk n THR 557 Ca 0.01 -1.09 0.04 0.00 -2.27 0.00 0.00 64.05 60.75 2qpk n THR 557 Cb 0.32 0.56 0.30 0.00 -2.10 0.00 0.00 70.33 69.41 2qpk n THR 557 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qpk n HIS 558 N -0.29 1.56 -3.02 4.78 8.25 -1.26 -4.85 115.22 120.39 2qpk n HIS 558 Ca 0.03 -0.97 -0.40 0.00 -0.26 0.00 0.00 57.72 56.13 2qpk n HIS 558 Cb 0.28 -0.46 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 2qpk n HIS 558 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qpk s ILE 559 N -2.89 4.72 -0.36 1.59 1.01 -1.26 -4.95 121.20 119.06 2qpk s ILE 559 Ca 0.48 1.58 0.06 0.00 0.00 0.00 0.00 60.65 62.76 2qpk s ILE 559 Cb 0.39 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2qpk s ILE 559 CO 0.11 0.39 0.33 0.35 0.00 0.00 0.00 174.94 176.12 2qpk n THR 560 N 2.67 0.00 -4.45 2.92 -2.24 -1.26 -4.61 114.28 107.31 2qpk n THR 560 Ca -0.03 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.02 2qpk n THR 560 Cb 0.50 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.60 2qpk n THR 560 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qpk s LYS 561 N -1.30 3.07 0.04 -0.78 -0.14 -1.26 -0.71 119.74 118.66 2qpk s LYS 561 Ca 0.03 -0.82 -0.02 0.00 -1.36 0.00 0.00 55.97 53.80 2qpk s LYS 561 Cb 0.04 -2.54 -0.03 0.00 -1.68 0.00 0.00 37.83 33.63 2qpk s LYS 561 CO 0.19 -0.07 0.01 0.14 -0.76 0.00 0.00 175.35 174.86 2qpk s VAL 562 N 0.98 0.17 0.78 3.17 -7.23 -0.61 -4.88 120.40 112.77 2qpk s VAL 562 Ca -0.03 -1.38 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 2qpk s VAL 562 Cb -0.15 -1.04 0.06 0.00 0.56 0.00 0.00 36.38 35.81 2qpk s VAL 562 CO -0.05 -0.76 1.10 -2.16 -0.31 0.00 0.00 175.10 172.92 2qpk s PRO 563 N -2.98 2.23 -0.02 4.82 0.04 -1.26 -1.18 135.00 136.65 2qpk s PRO 563 Ca -0.02 0.60 -0.01 0.00 0.04 0.00 0.00 61.00 61.61 2qpk s PRO 563 Cb 0.01 -1.94 -0.26 0.00 0.04 0.00 0.00 34.50 32.35 2qpk s PRO 563 CO -0.06 -1.51 0.75 1.25 0.04 0.00 0.00 177.00 177.47 2qpk h LEU 564 N -1.00 0.32 -7.36 -3.56 5.85 -1.98 -3.40 115.31 104.17 2qpk h LEU 564 Ca -0.47 -0.51 -0.66 0.00 0.84 0.00 0.00 57.88 57.09 2qpk h LEU 564 Cb 1.27 -0.10 -0.39 0.00 0.37 0.00 0.00 40.66 41.80 2qpk h LEU 564 CO 0.60 1.43 -0.47 -1.00 -0.34 0.00 0.00 178.44 178.66 2qpk s HIS 565 N -2.61 3.41 0.61 1.25 3.76 -1.26 -4.83 115.29 115.63 2qpk s HIS 565 Ca -0.10 -3.06 0.31 0.00 -0.15 0.00 0.00 55.06 52.06 2qpk s HIS 565 Cb 0.07 -2.96 1.80 0.00 1.11 0.00 0.00 32.58 32.59 2qpk s HIS 565 CO 0.83 -0.73 2.16 0.00 -0.85 0.00 0.00 174.74 176.15 2qpk h ALA 566 N 6.35 1.60 0.00 -1.40 0.00 -1.99 -2.90 119.26 120.93 2qpk h ALA 566 Ca 0.02 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2qpk h ALA 566 Cb 0.87 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2qpk h ALA 566 CO 0.72 -0.19 -0.58 0.74 0.00 0.00 0.00 179.25 179.94 2qpk h PHE 567 N 0.00 0.00 -3.83 0.00 0.04 -1.95 -3.43 116.94 107.77 2qpk h PHE 567 Ca 0.05 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.34 2qpk h PHE 567 Cb 0.33 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.54 2qpk h PHE 567 CO 0.00 0.29 0.23 1.14 -0.60 0.00 0.00 178.31 179.36 2qpk s GLN 568 N -3.09 2.92 0.05 1.51 -2.07 -1.10 -1.38 119.66 116.50 2qpk s GLN 568 Ca 0.03 0.10 -0.31 0.00 -1.82 0.00 0.00 55.36 53.36 2qpk s GLN 568 Cb 0.07 -2.22 -0.07 0.00 -1.09 0.00 0.00 33.01 29.70 2qpk s GLN 568 CO 0.74 -0.76 1.47 0.00 -1.32 0.00 0.00 175.29 175.42 2qpk s ALA 569 N -3.06 3.62 -0.07 2.60 0.00 -1.24 -3.82 121.76 119.78 2qpk s ALA 569 Ca 0.55 1.04 0.03 0.00 0.00 0.00 0.00 51.96 53.57 2qpk s ALA 569 Cb -0.11 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.41 2qpk s ALA 569 CO 0.47 -0.89 -0.16 -0.80 0.00 0.00 0.00 175.76 174.37 2qpk s ASN 570 N 1.81 2.20 -0.21 0.00 -0.87 -1.26 -4.93 114.94 111.68 2qpk s ASN 570 Ca 0.67 -0.38 -0.11 0.00 -1.57 0.00 0.00 52.86 51.46 2qpk s ASN 570 Cb -0.35 -0.96 -0.05 0.00 -0.02 0.00 0.00 41.25 39.87 2qpk s ASN 570 CO 0.29 0.09 0.19 0.20 -2.57 0.00 0.00 177.10 175.30 2qpk s ASN 571 N 0.49 6.23 0.17 -1.22 0.01 -1.26 -4.71 114.94 114.64 2qpk s ASN 571 Ca -0.14 0.25 -0.27 0.00 -0.71 0.00 0.00 52.86 51.99 2qpk s ASN 571 Cb -0.16 -2.12 -0.08 0.00 0.41 0.00 0.00 41.25 39.30 2qpk s ASN 571 CO 0.05 0.10 0.82 -0.47 -1.51 0.00 0.00 177.10 176.09 2qpk s TYR 572 N 0.76 3.90 -1.45 2.20 5.04 -1.26 -1.00 117.35 125.53 2qpk s TYR 572 Ca 0.10 1.69 0.22 0.00 -2.44 0.00 0.00 57.07 56.64 2qpk s TYR 572 Cb -0.13 -2.84 -0.11 0.00 0.35 0.00 0.00 41.96 39.24 2qpk s TYR 572 CO 0.02 0.46 1.00 -0.35 -1.34 0.00 0.00 175.55 175.34 2qpk n PRO 573 N 1.77 0.53 -0.21 4.97 -0.05 -1.26 -4.94 135.00 135.80 2qpk n PRO 573 Ca -0.04 -0.44 0.02 0.00 -0.05 0.00 0.00 63.50 62.99 2qpk n PRO 573 Cb 0.48 -1.49 0.12 0.00 -0.05 0.00 0.00 33.50 32.56 2qpk n PRO 573 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 2qpk h HIS 574 N 1.06 0.01 -0.15 0.54 2.76 -1.95 -1.35 115.15 116.08 2qpk h HIS 574 Ca 0.00 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2qpk h HIS 574 Cb 0.61 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.66 2qpk h HIS 574 CO 0.00 -0.15 0.00 -0.25 -1.30 0.00 0.00 177.93 176.23 2qpk n ASP 575 N -5.26 0.92 -4.45 3.26 8.00 -0.17 -4.83 116.55 114.01 2qpk n ASP 575 Ca 0.10 -1.87 -0.34 0.00 0.71 0.00 0.00 54.79 53.39 2qpk n ASP 575 Cb 0.38 -0.10 -0.13 0.00 -0.02 0.00 0.00 41.12 41.25 2qpk n ASP 575 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2qpk s PHE 576 N -1.80 3.02 0.49 1.24 0.40 -0.51 -4.10 117.98 116.72 2qpk s PHE 576 Ca 0.17 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 56.13 2qpk s PHE 576 Cb 0.09 -2.03 0.00 0.00 0.51 0.00 0.00 43.02 41.60 2qpk s PHE 576 CO 0.13 -0.18 0.33 0.14 0.70 0.00 0.00 175.22 176.34 2qpk s VAL 577 N 0.76 1.97 0.12 -0.44 -7.23 -0.32 -4.85 120.40 110.40 2qpk s VAL 577 Ca -0.01 -1.53 -0.26 0.00 -1.81 0.00 0.00 61.98 58.37 2qpk s VAL 577 Cb -0.14 -2.50 -0.07 0.00 0.56 0.00 0.00 36.38 34.23 2qpk s VAL 577 CO 0.02 0.00 0.81 -0.62 -0.31 0.00 0.00 175.10 175.00 2qpk s ASP 578 N -4.15 7.36 0.57 4.85 -1.08 -1.26 -1.57 116.67 121.39 2qpk s ASP 578 Ca 0.37 1.61 0.31 0.00 -0.52 0.00 0.00 52.55 54.32 2qpk s ASP 578 Cb -0.01 -2.51 1.44 0.00 -1.46 0.00 0.00 42.92 40.38 2qpk s ASP 578 CO 0.22 0.09 1.81 0.00 0.52 0.00 0.00 175.17 177.81 2qpk n SER 580 N -3.87 0.00 -0.10 0.00 7.64 -1.26 -1.94 113.62 114.09 2qpk n SER 580 Ca 0.16 -0.13 0.12 0.00 1.01 0.00 0.00 58.87 60.02 2qpk n SER 580 Cb 0.95 -0.27 0.17 0.00 -1.01 0.00 0.00 64.21 64.05 2qpk n SER 580 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2qpk n THR 581 N -1.27 0.00 -3.47 0.44 -1.04 0.15 -4.90 114.28 104.20 2qpk n THR 581 Ca 0.13 -0.05 -0.37 0.00 -2.04 0.00 0.00 64.05 61.72 2qpk n THR 581 Cb 0.20 0.54 -0.07 0.00 -1.82 0.00 0.00 70.33 69.19 2qpk n THR 581 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2qpk s VAL 582 N -2.85 5.27 0.01 12.58 1.01 -0.82 -5.03 120.40 130.57 2qpk s VAL 582 Ca 0.14 0.66 -0.36 0.00 0.00 0.00 0.00 61.98 62.41 2qpk s VAL 582 Cb 0.18 -3.69 -0.15 0.00 0.00 0.00 0.00 36.38 32.72 2qpk s VAL 582 CO 0.69 0.35 1.53 0.47 0.00 0.00 0.00 175.10 178.15 2qpk n ASP 583 N 3.74 2.32 -4.95 3.32 9.92 -1.26 -4.98 116.55 124.65 2qpk n ASP 583 Ca -0.10 1.09 -0.23 0.00 -0.53 0.00 0.00 54.79 55.01 2qpk n ASP 583 Cb 0.52 -1.26 -0.01 0.00 -0.64 0.00 0.00 41.12 39.74 2qpk n ASP 583 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2qpk s LYS 584 N 1.57 3.35 -0.20 -1.24 1.02 -1.26 -4.79 119.74 118.19 2qpk s LYS 584 Ca 0.87 -0.48 -0.26 0.00 0.02 0.00 0.00 55.97 56.12 2qpk s LYS 584 Cb -0.88 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 33.74 2qpk s LYS 584 CO 0.49 0.07 0.88 -1.17 -0.92 0.00 0.00 175.35 174.70 2qpk s LEU 585 N -4.32 4.14 -0.48 3.17 2.96 -1.26 -4.90 118.68 117.98 2qpk s LEU 585 Ca 0.42 1.19 -0.21 0.00 -0.22 0.00 0.00 54.13 55.31 2qpk s LEU 585 Cb -0.10 -3.30 0.04 0.00 0.50 0.00 0.00 46.19 43.34 2qpk s LEU 585 CO 0.35 -0.48 0.73 -0.62 -1.32 0.00 0.00 176.35 175.01 2qpk s ASP 586 N 1.21 6.31 0.00 3.68 2.15 -1.26 -4.92 116.67 123.85 2qpk s ASP 586 Ca 0.39 -0.46 0.21 0.00 0.43 0.00 0.00 52.55 53.13 2qpk s ASP 586 Cb -0.16 -2.35 0.84 0.00 -0.30 0.00 0.00 42.92 40.95 2qpk s ASP 586 CO 0.10 -0.93 1.60 0.18 -0.17 0.00 0.00 175.17 175.95 2qpk n LEU 587 N 6.58 1.42 -0.25 -1.34 4.77 -1.26 -4.33 117.00 122.58 2qpk n LEU 587 Ca -0.02 -0.58 0.05 0.00 -0.03 0.00 0.00 56.01 55.44 2qpk n LEU 587 Cb 0.47 -0.08 0.29 0.00 -2.33 0.00 0.00 43.42 41.77 2qpk n LEU 587 CO 0.57 0.29 1.23 0.77 -1.33 0.00 0.00 177.39 178.92 2qpk h SER 588 N 1.93 0.80 0.01 -1.43 4.64 -2.00 -0.51 113.55 116.98 2qpk h SER 588 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2qpk h SER 588 Cb 0.42 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2qpk h SER 588 CO 0.00 0.51 0.00 -2.65 -0.87 0.00 0.00 176.83 173.82 2qpk n PRO 589 N -4.49 0.00 0.00 4.77 -0.02 -1.26 -0.65 135.00 133.35 2qpk n PRO 589 Ca 0.13 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 2qpk n PRO 589 Cb 0.22 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.49 2qpk n PRO 589 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2qpk n TRP 590 N -1.43 0.00 -2.27 6.00 8.01 -0.20 -4.83 117.44 122.71 2qpk n TRP 590 Ca 0.00 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.78 2qpk n TRP 590 Cb 0.00 -0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 2qpk n TRP 590 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2qpk s ALA 591 N -2.03 3.48 0.30 6.99 0.00 0.18 -4.95 121.76 125.73 2qpk s ALA 591 Ca 0.32 1.08 0.09 0.00 0.00 0.00 0.00 51.96 53.45 2qpk s ALA 591 Cb 0.20 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 2qpk s ALA 591 CO 0.33 -0.46 0.02 -1.54 0.00 0.00 0.00 175.76 174.11 2qpk s SER 592 N -0.13 4.42 -0.08 0.00 1.04 -1.26 -5.12 113.70 112.57 2qpk s SER 592 Ca 0.52 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 2qpk s SER 592 Cb -0.36 -0.70 0.03 0.00 0.10 0.00 0.00 66.02 65.09 2qpk s SER 592 CO 0.42 -0.13 -0.02 -0.13 0.98 0.00 0.00 173.24 174.35 2qpk s ARG 593 N -3.72 0.86 -0.35 4.02 0.52 -1.26 -5.00 118.95 114.02 2qpk s ARG 593 Ca 0.34 -0.01 0.07 0.00 -0.52 0.00 0.00 55.73 55.60 2qpk s ARG 593 Cb -0.04 -1.08 0.59 0.00 0.52 0.00 0.00 34.95 34.94 2qpk s ARG 593 CO 0.20 -0.25 1.68 0.39 0.02 0.00 0.00 175.30 177.34 2qpk n GLU 594 N 4.89 2.19 0.00 3.54 1.02 -1.26 -5.30 120.64 125.72 2qpk n GLU 594 Ca -0.12 -3.10 0.00 0.00 -0.02 0.00 0.00 57.16 53.93 2qpk n GLU 594 Cb 0.50 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2qpk n GLU 594 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60