#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2k s ASP 3 N 0.00 6.62 0.00 4.52 1.11 -1.26 -2.15 116.67 125.50 3i2k s ASP 3 Ca 0.00 2.63 0.00 0.00 0.18 0.00 0.00 52.55 55.36 3i2k s ASP 3 Cb 0.00 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.38 3i2k s ASP 3 CO 0.00 -0.77 0.00 0.61 1.18 0.00 0.00 175.17 176.19 3i2k n GLY 4 N 3.06 0.72 3.95 0.21 0.00 -1.21 -5.07 105.19 106.85 3i2k n GLY 4 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 3i2k n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2k s ASN 5 N -2.17 6.34 0.26 1.61 -0.87 -0.92 -4.69 114.94 114.50 3i2k s ASN 5 Ca 0.00 0.18 -0.20 0.00 -1.57 0.00 0.00 52.86 51.27 3i2k s ASN 5 Cb 0.00 -1.91 0.02 0.00 -0.02 0.00 0.00 41.25 39.34 3i2k s ASN 5 CO 0.00 -0.00 0.66 -0.72 -2.57 0.00 0.00 177.10 174.46 3i2k s TYR 6 N -1.84 -0.13 0.20 2.20 1.13 -1.26 -1.37 117.35 116.28 3i2k s TYR 6 Ca 0.35 -0.28 0.08 0.00 -1.41 0.00 0.00 57.07 55.81 3i2k s TYR 6 Cb -0.10 0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 41.30 3i2k s TYR 6 CO 0.29 -1.14 -0.16 -1.54 -2.51 0.00 0.00 175.55 170.49 3i2k s SER 7 N -2.92 2.70 -0.10 -0.18 1.04 -0.26 -4.88 113.70 109.11 3i2k s SER 7 Ca 0.12 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.57 3i2k s SER 7 Cb -0.04 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.94 3i2k s SER 7 CO 0.05 -0.12 -0.09 -0.69 0.98 0.00 0.00 173.24 173.37 3i2k s VAL 8 N -2.70 1.06 -0.17 5.02 1.01 -1.26 -0.90 120.40 122.46 3i2k s VAL 8 Ca 0.22 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 3i2k s VAL 8 Cb -0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 3i2k s VAL 8 CO 0.08 0.37 -0.07 0.00 0.00 0.00 0.00 175.10 175.47 3i2k s ALA 9 N 1.49 2.80 -0.05 5.51 0.00 -0.41 -4.97 121.76 126.12 3i2k s ALA 9 Ca 0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 3i2k s ALA 9 Cb -0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 3i2k s ALA 9 CO -0.06 -0.05 0.11 -1.12 0.00 0.00 0.00 175.76 174.64 3i2k s SER 10 N 0.84 6.01 -1.31 0.00 0.01 -1.26 -0.59 113.70 117.39 3i2k s SER 10 Ca -0.02 0.30 -0.04 0.00 1.31 0.00 0.00 55.95 57.50 3i2k s SER 10 Cb -0.15 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.26 3i2k s SER 10 CO 0.01 0.33 0.93 0.59 0.41 0.00 0.00 173.24 175.51 3i2k n ASN 11 N 1.50 -2.96 -4.69 2.44 3.02 -0.85 -4.97 115.26 108.76 3i2k n ASN 11 Ca -0.15 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.28 3i2k n ASN 11 Cb 0.53 -4.58 -0.03 0.00 -0.61 0.00 0.00 39.78 35.10 3i2k n ASN 11 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i2k s VAL 12 N -3.45 4.31 -0.27 2.41 1.01 0.00 -4.81 120.40 119.61 3i2k s VAL 12 Ca 0.21 1.64 -0.12 0.00 0.00 0.00 0.00 61.98 63.70 3i2k s VAL 12 Cb -0.10 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3i2k s VAL 12 CO 0.77 0.03 0.25 -0.04 0.00 0.00 0.00 175.10 176.10 3i2k s MET 13 N 1.96 4.00 -0.26 2.72 1.00 -1.26 -0.73 119.30 126.72 3i2k s MET 13 Ca 0.55 -0.19 -0.06 0.00 0.00 0.00 0.00 55.69 56.00 3i2k s MET 13 Cb -0.24 -3.63 -0.00 0.00 0.00 0.00 0.00 34.83 30.95 3i2k s MET 13 CO 0.23 -0.16 0.04 0.08 0.00 0.00 0.00 175.02 175.20 3i2k s VAL 14 N 1.72 3.84 0.06 -6.03 1.01 0.00 -4.90 120.40 116.10 3i2k s VAL 14 Ca 0.10 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 3i2k s VAL 14 Cb -0.15 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 3i2k s VAL 14 CO 0.10 0.24 1.06 -2.16 0.00 0.00 0.00 175.10 174.34 3i2k s PRO 15 N 1.51 4.55 0.76 2.72 0.04 -1.26 -0.94 135.00 142.39 3i2k s PRO 15 Ca 0.04 1.57 -0.08 0.00 0.04 0.00 0.00 61.00 62.58 3i2k s PRO 15 Cb -0.16 -3.39 0.10 0.00 0.04 0.00 0.00 34.50 31.10 3i2k s PRO 15 CO 0.01 -0.06 1.08 -1.64 0.04 0.00 0.00 177.00 176.43 3i2k s MET 16 N 0.68 1.77 0.55 4.56 -1.94 0.32 -4.91 119.30 120.32 3i2k s MET 16 Ca 0.53 -0.43 0.22 0.00 -1.71 0.00 0.00 55.69 54.29 3i2k s MET 16 Cb -0.25 -2.13 1.50 0.00 2.01 0.00 0.00 34.83 35.96 3i2k s MET 16 CO 0.30 -1.53 2.19 0.07 -0.01 0.00 0.00 175.02 176.03 3i2k h ARG 17 N -0.82 0.00 -0.28 2.03 0.11 -1.92 -0.96 114.38 112.54 3i2k h ARG 17 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 3i2k h ARG 17 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3i2k h ARG 17 CO 0.52 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.19 3i2k n ASP 18 N -4.25 2.03 0.00 0.08 5.75 -1.26 -4.94 116.55 113.97 3i2k n ASP 18 Ca -0.03 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 3i2k n ASP 18 Cb 0.10 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 3i2k n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2k n GLY 19 N 1.17 2.15 3.73 6.12 0.00 -0.37 -5.03 105.19 112.96 3i2k n GLY 19 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3i2k n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2k s VAL 20 N -2.31 3.38 -0.19 1.61 1.01 -1.26 -4.67 120.40 117.97 3i2k s VAL 20 Ca 0.00 1.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.96 3i2k s VAL 20 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3i2k s VAL 20 CO 0.00 0.12 0.10 -0.13 0.00 0.00 0.00 175.10 175.19 3i2k s ARG 21 N 0.46 4.03 -0.13 2.72 0.52 -1.26 -0.52 118.95 124.77 3i2k s ARG 21 Ca 0.59 -0.27 -0.05 0.00 -0.52 0.00 0.00 55.73 55.48 3i2k s ARG 21 Cb -0.35 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 3i2k s ARG 21 CO 0.34 0.33 0.07 -0.51 0.02 0.00 0.00 175.30 175.55 3i2k s LEU 22 N 0.25 3.97 0.03 2.53 1.02 -0.11 -1.13 118.68 125.25 3i2k s LEU 22 Ca 0.06 0.26 -0.26 0.00 0.02 0.00 0.00 54.13 54.22 3i2k s LEU 22 Cb -0.12 -1.96 -0.05 0.00 0.02 0.00 0.00 46.19 44.08 3i2k s LEU 22 CO -0.01 0.33 0.80 0.00 0.02 0.00 0.00 176.35 177.49 3i2k s ALA 23 N -0.59 3.33 0.15 4.21 0.00 -1.26 -0.82 121.76 126.78 3i2k s ALA 23 Ca 0.11 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.46 3i2k s ALA 23 Cb -0.12 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 3i2k s ALA 23 CO 0.02 0.00 -0.16 0.14 0.00 0.00 0.00 175.76 175.77 3i2k s VAL 24 N 0.18 1.60 -0.10 0.00 -7.23 0.09 -1.26 120.40 113.67 3i2k s VAL 24 Ca 0.40 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3i2k s VAL 24 Cb -0.20 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 3i2k s VAL 24 CO 0.23 -0.40 -0.04 -1.81 -0.31 0.00 0.00 175.10 172.78 3i2k s ASP 25 N -2.67 4.88 -0.24 4.85 1.01 0.08 -0.82 116.67 123.76 3i2k s ASP 25 Ca 0.14 -0.01 -0.05 0.00 0.71 0.00 0.00 52.55 53.34 3i2k s ASP 25 Cb -0.05 -1.48 -0.01 0.00 1.01 0.00 0.00 42.92 42.40 3i2k s ASP 25 CO 0.05 0.30 -0.00 -0.76 0.21 0.00 0.00 175.17 174.97 3i2k s LEU 26 N -0.42 3.17 -0.46 1.23 1.43 0.24 -1.76 118.68 122.12 3i2k s LEU 26 Ca 0.07 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3i2k s LEU 26 Cb -0.12 -1.79 0.09 0.00 0.03 0.00 0.00 46.19 44.39 3i2k s LEU 26 CO 0.02 -0.06 0.35 -0.31 0.23 0.00 0.00 176.35 176.58 3i2k s TYR 27 N 1.50 3.30 -0.11 0.29 1.51 0.50 -1.29 117.35 123.05 3i2k s TYR 27 Ca 0.05 -1.31 0.03 0.00 -1.01 0.00 0.00 57.07 54.84 3i2k s TYR 27 Cb -0.15 -3.19 0.00 0.00 -0.11 0.00 0.00 41.96 38.52 3i2k s TYR 27 CO -0.01 -0.86 -0.23 1.03 -1.11 0.00 0.00 175.55 174.37 3i2k s ARG 28 N 1.52 3.00 0.48 -0.62 0.52 -0.08 -0.88 118.95 122.89 3i2k s ARG 28 Ca 0.04 -0.86 -0.23 0.00 -0.52 0.00 0.00 55.73 54.16 3i2k s ARG 28 Cb -0.25 -2.33 -0.07 0.00 0.52 0.00 0.00 34.95 32.83 3i2k s ARG 28 CO 0.04 0.10 1.20 -1.25 0.02 0.00 0.00 175.30 175.41 3i2k s PRO 29 N 0.54 3.62 -0.70 3.54 0.04 -1.26 -1.10 135.00 139.68 3i2k s PRO 29 Ca -0.14 1.87 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 3i2k s PRO 29 Cb -0.17 -2.37 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 3i2k s PRO 29 CO 0.04 -0.69 2.02 -0.51 0.04 0.00 0.00 177.00 177.90 3i2k s ASP 30 N -1.28 4.98 -0.09 6.66 1.01 -0.47 -4.85 116.67 122.63 3i2k s ASP 30 Ca 0.65 0.11 0.01 0.00 0.71 0.00 0.00 52.55 54.04 3i2k s ASP 30 Cb -0.31 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.10 3i2k s ASP 30 CO 0.37 -2.70 -0.11 0.00 0.21 0.00 0.00 175.17 172.94 3i2k s ALA 31 N 10.38 1.31 -0.03 5.23 0.00 -1.26 -3.89 121.76 133.49 3i2k s ALA 31 Ca 0.75 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 3i2k s ALA 31 Cb -0.11 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3i2k s ALA 31 CO 0.14 -0.08 1.17 -0.51 0.00 0.00 0.00 175.76 176.48 3i2k s ASP 32 N 1.05 7.09 0.00 0.00 1.01 -1.26 -4.87 116.67 119.69 3i2k s ASP 32 Ca -0.07 1.83 0.00 0.00 0.71 0.00 0.00 52.55 55.01 3i2k s ASP 32 Cb -0.15 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.22 3i2k s ASP 32 CO -0.01 -0.53 0.00 0.61 0.21 0.00 0.00 175.17 175.45 3i2k n GLY 33 N 3.29 -1.65 3.71 0.21 0.00 -1.26 -4.99 105.19 104.49 3i2k n GLY 33 Ca 0.10 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 3i2k n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i2k s PRO 34 N -4.51 1.64 0.18 1.61 0.04 -1.26 -5.00 135.00 127.70 3i2k s PRO 34 Ca 0.00 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.60 3i2k s PRO 34 Cb 0.00 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 3i2k s PRO 34 CO 0.00 -2.16 -0.05 0.14 0.04 0.00 0.00 177.00 174.97 3i2k s VAL 35 N -2.51 1.01 0.61 -0.36 -7.23 0.42 -4.62 120.40 107.73 3i2k s VAL 35 Ca 0.68 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.65 3i2k s VAL 35 Cb -0.23 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 3i2k s VAL 35 CO 0.53 -0.57 1.13 -2.16 -0.31 0.00 0.00 175.10 173.72 3i2k s PRO 36 N -3.82 3.01 -0.01 4.82 0.04 -1.26 -0.95 135.00 136.83 3i2k s PRO 36 Ca 0.22 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.80 3i2k s PRO 36 Cb 0.04 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 3i2k s PRO 36 CO 0.03 -1.10 -0.11 0.08 0.04 0.00 0.00 177.00 175.94 3i2k s VAL 37 N -2.06 0.88 -0.09 -0.36 1.01 -0.53 -1.21 120.40 118.04 3i2k s VAL 37 Ca 0.70 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.25 3i2k s VAL 37 Cb -0.23 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 3i2k s VAL 37 CO 0.35 0.26 -0.17 -0.76 0.00 0.00 0.00 175.10 174.78 3i2k s LEU 38 N -0.13 2.52 -0.07 3.92 1.43 0.54 -0.40 118.68 126.48 3i2k s LEU 38 Ca 0.02 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3i2k s LEU 38 Cb -0.06 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 3i2k s LEU 38 CO -0.00 0.22 -0.13 -0.22 0.23 0.00 0.00 176.35 176.45 3i2k s LEU 39 N 0.00 2.76 -0.08 1.79 2.96 0.13 -0.26 118.68 125.98 3i2k s LEU 39 Ca -0.06 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3i2k s LEU 39 Cb -0.15 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 44.98 3i2k s LEU 39 CO 0.05 0.30 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.56 3i2k s VAL 40 N -0.46 1.21 -0.22 1.68 1.01 -0.08 -3.38 120.40 120.17 3i2k s VAL 40 Ca 0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 3i2k s VAL 40 Cb -0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3i2k s VAL 40 CO 0.02 0.38 -0.04 -0.13 0.00 0.00 0.00 175.10 175.33 3i2k s ARG 41 N 0.90 3.37 -0.08 2.72 0.52 -1.26 -0.96 118.95 124.17 3i2k s ARG 41 Ca -0.10 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 3i2k s ARG 41 Cb -0.15 -3.03 0.02 0.00 0.52 0.00 0.00 34.95 32.31 3i2k s ARG 41 CO 0.01 -0.21 -0.07 1.21 0.02 0.00 0.00 175.30 176.26 3i2k s ASN 42 N 1.48 1.78 0.00 0.23 3.04 -0.11 -4.13 114.94 117.23 3i2k s ASN 42 Ca 0.06 -0.23 0.17 0.00 0.04 0.00 0.00 52.86 52.89 3i2k s ASN 42 Cb -0.14 -0.70 0.49 0.00 -1.54 0.00 0.00 41.25 39.35 3i2k s ASN 42 CO -0.03 -0.09 1.40 -0.81 -3.04 0.00 0.00 177.10 174.53 3i2k n PRO 43 N 4.57 2.07 -0.73 0.43 -0.04 -1.26 -2.02 135.00 138.03 3i2k n PRO 43 Ca -0.16 -1.64 0.01 0.00 -0.04 0.00 0.00 63.50 61.66 3i2k n PRO 43 Cb 0.51 -1.39 0.20 0.00 -0.04 0.00 0.00 33.50 32.78 3i2k n PRO 43 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i2k n TYR 44 N 0.84 0.52 -1.21 0.54 4.01 -1.26 -4.95 117.16 115.64 3i2k n TYR 44 Ca 0.16 -1.57 -0.00 0.00 -0.16 0.00 0.00 57.90 56.33 3i2k n TYR 44 Cb 0.41 -0.36 -0.00 0.00 -0.31 0.00 0.00 39.34 39.08 3i2k n TYR 44 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3i2k n ASP 45 N -1.11 -2.08 0.05 7.72 -0.08 -1.26 -4.66 116.55 115.12 3i2k n ASP 45 Ca 0.26 0.03 0.18 0.00 -1.51 0.00 0.00 54.79 53.76 3i2k n ASP 45 Cb 0.84 -1.09 0.69 0.00 2.34 0.00 0.00 41.12 43.91 3i2k n ASP 45 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3i2k h LYS 46 N 0.09 0.00 0.00 -0.67 2.10 -1.84 -0.35 116.57 115.90 3i2k h LYS 46 Ca -0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 3i2k h LYS 46 Cb 0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 3i2k h LYS 46 CO 0.00 0.00 -0.22 0.74 -2.00 0.00 0.00 179.45 177.97 3i2k h PHE 47 N 0.00 0.00 -1.63 0.07 0.04 -1.95 -3.36 116.94 110.12 3i2k h PHE 47 Ca 0.21 0.00 -0.75 0.00 2.80 0.00 0.00 57.97 60.22 3i2k h PHE 47 Cb 0.86 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.84 3i2k h PHE 47 CO 0.00 0.22 1.82 -3.47 -0.60 0.00 0.00 178.31 176.28 3i2k n ASP 48 N -4.20 5.16 0.13 2.17 -0.08 -0.14 -4.74 116.55 114.86 3i2k n ASP 48 Ca -0.02 -3.09 -0.01 0.00 -1.51 0.00 0.00 54.79 50.16 3i2k n ASP 48 Cb 0.29 -1.49 0.13 0.00 2.34 0.00 0.00 41.12 42.38 3i2k n ASP 48 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 3i2k h VAL 49 N 3.94 1.37 0.00 5.18 -1.51 -1.80 -3.16 116.25 120.28 3i2k h VAL 49 Ca 0.37 -2.29 -0.02 0.00 -1.23 0.00 0.00 66.70 63.53 3i2k h VAL 49 Cb 0.69 2.27 -0.00 0.00 -2.13 0.00 0.00 31.29 32.11 3i2k h VAL 49 CO 1.52 0.63 -0.10 -0.26 -1.23 0.00 0.00 177.57 178.13 3i2k h PHE 50 N 0.00 0.00 -0.55 5.19 0.04 -1.96 -2.47 116.94 117.19 3i2k h PHE 50 Ca -0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 3i2k h PHE 50 Cb 1.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.34 3i2k h PHE 50 CO 0.00 0.10 -0.02 0.00 -0.60 0.00 0.00 178.31 177.80 3i2k h ALA 51 N 1.90 0.92 0.00 2.45 0.00 -1.96 -3.34 119.26 119.24 3i2k h ALA 51 Ca -0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3i2k h ALA 51 Cb 0.64 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3i2k h ALA 51 CO 0.01 0.64 -1.64 -2.67 0.00 0.00 0.00 179.25 175.59 3i2k n TRP 52 N -4.18 0.00 0.19 0.00 4.27 -1.22 -4.70 117.44 111.79 3i2k n TRP 52 Ca 0.03 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.67 3i2k n TRP 52 Cb 0.34 -0.39 0.39 0.00 -1.36 0.00 0.00 31.31 30.29 3i2k n TRP 52 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 3i2k h SER 53 N 0.00 0.00 0.53 -0.67 0.02 -1.56 -1.05 113.55 110.82 3i2k h SER 53 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3i2k h SER 53 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3i2k h SER 53 CO 0.01 0.35 0.00 0.35 -1.14 0.00 0.00 176.83 176.39 3i2k n THR 54 N -3.98 0.92 0.52 -2.27 -2.24 -1.26 -1.25 114.28 104.71 3i2k n THR 54 Ca -0.02 0.35 0.11 0.00 -2.27 0.00 0.00 64.05 62.23 3i2k n THR 54 Cb 0.40 -1.29 0.25 0.00 -2.10 0.00 0.00 70.33 67.60 3i2k n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i2k n GLN 55 N -2.18 2.32 0.00 -0.78 3.00 -0.40 -4.83 117.38 114.52 3i2k n GLN 55 Ca 0.01 -2.00 0.00 0.00 -0.01 0.00 0.00 57.00 55.00 3i2k n GLN 55 Cb 0.18 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.93 3i2k n GLN 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3i2k n SER 56 N 1.21 0.00 -3.50 1.08 2.88 -0.38 -4.93 113.62 109.98 3i2k n SER 56 Ca 0.19 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.59 3i2k n SER 56 Cb 0.54 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 3i2k n SER 56 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3i2k s THR 57 N 0.00 0.01 -1.35 2.46 -4.23 -0.95 -4.72 115.64 106.87 3i2k s THR 57 Ca 0.00 -0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.30 3i2k s THR 57 Cb 0.00 -1.01 0.11 0.00 1.34 0.00 0.00 72.50 72.95 3i2k s THR 57 CO 0.00 -0.06 2.10 0.59 -0.54 0.00 0.00 174.62 176.71 3i2k n ASN 58 N 0.09 5.41 0.05 3.99 3.02 -1.26 -4.73 115.26 121.82 3i2k n ASN 58 Ca -0.18 -3.01 0.10 0.00 -0.03 0.00 0.00 54.58 51.45 3i2k n ASN 58 Cb 0.62 -1.51 0.40 0.00 -0.61 0.00 0.00 39.78 38.68 3i2k n ASN 58 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 3i2k n TRP 59 N 4.11 0.34 0.29 3.10 4.27 -1.26 -1.20 117.44 127.10 3i2k n TRP 59 Ca 0.48 0.13 0.15 0.00 -3.89 0.00 0.00 57.50 54.37 3i2k n TRP 59 Cb 0.35 -0.71 0.89 0.00 -1.36 0.00 0.00 31.31 30.47 3i2k n TRP 59 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 3i2k h LEU 60 N 0.00 0.00 -1.85 5.67 3.38 -2.01 -0.15 115.31 120.35 3i2k h LEU 60 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i2k h LEU 60 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3i2k h LEU 60 CO 0.00 0.04 0.01 -0.33 0.09 0.00 0.00 178.44 178.25 3i2k h GLU 61 N 0.00 0.10 -0.35 1.13 5.08 -1.57 -0.11 114.58 118.86 3i2k h GLU 61 Ca -0.00 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3i2k h GLU 61 Cb 0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3i2k h GLU 61 CO 0.00 0.10 -0.07 0.74 -1.00 0.00 0.00 179.01 178.78 3i2k h PHE 62 N 0.10 0.75 -0.44 4.33 0.04 -1.20 -2.46 116.94 118.07 3i2k h PHE 62 Ca 0.03 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 60.56 3i2k h PHE 62 Cb 0.05 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 3i2k h PHE 62 CO 0.00 0.82 -0.04 0.28 -0.60 0.00 0.00 178.31 178.77 3i2k h VAL 63 N 0.47 1.27 0.00 -0.55 2.07 -1.30 -0.80 116.25 117.40 3i2k h VAL 63 Ca 0.09 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.50 3i2k h VAL 63 Cb 0.57 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3i2k h VAL 63 CO 0.03 0.38 0.00 0.03 0.02 0.00 0.00 177.57 178.03 3i2k h ARG 64 N 0.64 0.00 -0.31 1.57 3.08 -1.07 -2.16 114.38 116.13 3i2k h ARG 64 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3i2k h ARG 64 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3i2k h ARG 64 CO 0.03 0.00 0.00 -3.47 -1.07 0.00 0.00 179.97 175.46 3i2k n ASP 65 N -2.47 3.36 0.00 7.04 2.03 -0.86 -3.28 116.55 122.37 3i2k n ASP 65 Ca 0.01 -2.00 0.00 0.00 0.52 0.00 0.00 54.79 53.32 3i2k n ASP 65 Cb 0.21 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 3i2k n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i2k n GLY 66 N 1.48 1.14 3.84 0.27 0.00 -0.81 -5.05 105.19 106.07 3i2k n GLY 66 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3i2k n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i2k s TYR 67 N -2.00 3.64 0.27 1.61 1.51 -0.37 -4.41 117.35 117.60 3i2k s TYR 67 Ca 0.00 1.01 -0.15 0.00 -1.01 0.00 0.00 57.07 56.92 3i2k s TYR 67 Cb 0.00 -2.32 -0.08 0.00 -0.11 0.00 0.00 41.96 39.45 3i2k s TYR 67 CO 0.00 0.50 0.69 0.00 -1.11 0.00 0.00 175.55 175.63 3i2k s ALA 68 N -1.35 3.40 -0.07 3.71 0.00 -0.35 -3.86 121.76 123.24 3i2k s ALA 68 Ca 0.34 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.34 3i2k s ALA 68 Cb -0.15 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.26 3i2k s ALA 68 CO 0.18 0.37 -0.16 0.08 0.00 0.00 0.00 175.76 176.23 3i2k s VAL 69 N -1.80 1.44 -0.18 0.00 1.01 -0.06 -0.34 120.40 120.47 3i2k s VAL 69 Ca 0.49 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 3i2k s VAL 69 Cb -0.12 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 3i2k s VAL 69 CO 0.19 0.42 -0.11 -0.69 0.00 0.00 0.00 175.10 174.91 3i2k s VAL 70 N 0.47 2.99 -0.15 2.92 1.01 0.64 -0.37 120.40 127.90 3i2k s VAL 70 Ca -0.14 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3i2k s VAL 70 Cb -0.16 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 3i2k s VAL 70 CO 0.05 0.48 -0.15 -0.63 0.00 0.00 0.00 175.10 174.85 3i2k s ILE 71 N 1.04 2.74 -0.06 2.22 1.01 -0.72 -0.90 121.20 126.53 3i2k s ILE 71 Ca -0.01 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.94 3i2k s ILE 71 Cb -0.15 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3i2k s ILE 71 CO -0.02 0.51 -0.18 -1.58 0.00 0.00 0.00 174.94 173.68 3i2k s GLN 72 N 0.76 2.58 -0.08 2.79 0.74 -0.13 -0.74 119.66 125.57 3i2k s GLN 72 Ca -0.06 -0.76 -0.30 0.00 0.05 0.00 0.00 55.36 54.29 3i2k s GLN 72 Cb -0.15 -2.33 -0.03 0.00 1.10 0.00 0.00 33.01 31.60 3i2k s GLN 72 CO 0.01 0.51 1.17 -0.51 -0.55 0.00 0.00 175.29 175.92 3i2k s ASP 73 N -0.46 7.08 0.91 6.67 1.01 -0.39 -0.93 116.67 130.55 3i2k s ASP 73 Ca 0.05 1.74 -0.11 0.00 0.71 0.00 0.00 52.55 54.94 3i2k s ASP 73 Cb -0.12 -2.56 0.14 0.00 1.01 0.00 0.00 42.92 41.40 3i2k s ASP 73 CO 0.02 -0.58 1.11 0.42 0.21 0.00 0.00 175.17 176.35 3i2k s THR 74 N 2.34 2.44 0.16 -1.27 -4.23 -0.86 -4.30 115.64 109.93 3i2k s THR 74 Ca 0.54 0.14 -0.34 0.00 -1.18 0.00 0.00 61.69 60.85 3i2k s THR 74 Cb -0.23 -2.34 -0.15 0.00 1.34 0.00 0.00 72.50 71.13 3i2k s THR 74 CO 0.20 -0.19 1.43 -1.14 -0.54 0.00 0.00 174.62 174.38 3i2k n ARG 75 N -4.11 1.74 -0.84 3.99 0.63 -1.26 -2.35 116.66 114.46 3i2k n ARG 75 Ca 0.09 0.63 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 3i2k n ARG 75 Cb 0.53 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.14 3i2k n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i2k n GLY 76 N 2.72 0.71 3.23 5.14 0.00 -0.22 -3.76 105.19 113.01 3i2k n GLY 76 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3i2k n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2k s LEU 77 N 0.00 2.17 0.00 0.99 1.43 -0.99 -4.23 118.68 118.05 3i2k s LEU 77 Ca 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 3i2k s LEU 77 Cb 0.00 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.30 3i2k s LEU 77 CO 0.00 0.14 0.00 0.49 0.23 0.00 0.00 176.35 177.21 3i2k n PHE 78 N 1.86 0.00 1.25 0.29 3.72 -1.26 -1.52 117.46 121.80 3i2k n PHE 78 Ca -0.17 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.37 3i2k n PHE 78 Cb 0.54 0.00 0.61 0.00 -0.94 0.00 0.00 39.48 39.69 3i2k n PHE 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i2k n ALA 79 N 10.69 2.66 -1.87 4.37 0.00 -1.26 -4.86 120.51 130.24 3i2k n ALA 79 Ca 0.00 -0.20 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 3i2k n ALA 79 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 3i2k n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i2k s SER 80 N -2.71 6.93 0.92 0.00 0.01 -0.58 -4.43 113.70 113.84 3i2k s SER 80 Ca 0.23 1.63 -0.14 0.00 1.31 0.00 0.00 55.95 58.97 3i2k s SER 80 Cb 0.20 -2.51 0.18 0.00 0.21 0.00 0.00 66.02 64.09 3i2k s SER 80 CO 0.51 -0.32 1.27 -1.61 0.41 0.00 0.00 173.24 173.51 3i2k s GLU 81 N -3.09 0.88 0.52 12.44 2.02 -0.28 -4.11 118.70 127.08 3i2k s GLU 81 Ca 0.60 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.15 3i2k s GLU 81 Cb -0.10 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.22 3i2k s GLU 81 CO 0.14 -2.23 0.00 0.41 0.02 0.00 0.00 175.26 173.60 3i2k n GLY 82 N -3.62 -1.89 3.26 -1.39 0.00 -1.26 -1.05 105.19 99.23 3i2k n GLY 82 Ca 0.14 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 3i2k n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2k s GLU 83 N 0.00 2.91 -0.11 1.61 0.41 -1.26 -3.98 118.70 118.27 3i2k s GLU 83 Ca 0.00 -0.86 -0.24 0.00 -0.41 0.00 0.00 54.97 53.45 3i2k s GLU 83 Cb 0.00 -2.29 -0.03 0.00 -1.78 0.00 0.00 34.13 30.03 3i2k s GLU 83 CO 0.00 0.26 0.76 0.12 -0.49 0.00 0.00 175.26 175.91 3i2k s PHE 84 N 0.15 3.51 -0.03 1.61 5.36 -1.25 -4.42 117.98 122.91 3i2k s PHE 84 Ca -0.12 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.10 3i2k s PHE 84 Cb -0.16 -2.90 0.03 0.00 -0.34 0.00 0.00 43.02 39.64 3i2k s PHE 84 CO 0.07 -0.06 -0.00 0.08 -1.46 0.00 0.00 175.22 173.84 3i2k s VAL 85 N 1.41 0.21 0.29 3.12 1.01 -1.26 -5.04 120.40 120.14 3i2k s VAL 85 Ca 0.38 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 3i2k s VAL 85 Cb -0.17 -0.31 -0.13 0.00 0.00 0.00 0.00 36.38 35.76 3i2k s VAL 85 CO 0.16 0.16 1.26 -2.65 0.00 0.00 0.00 175.10 174.03 3i2k n PRO 86 N 4.25 1.90 0.00 2.72 -0.02 -1.26 -3.74 135.00 138.86 3i2k n PRO 86 Ca -0.24 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3i2k n PRO 86 Cb 0.50 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3i2k n PRO 86 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3i2k n HIS 87 N 0.82 0.00 0.27 6.00 8.25 -1.26 -4.73 115.22 124.57 3i2k n HIS 87 Ca 0.08 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.70 3i2k n HIS 87 Cb 0.33 0.00 0.63 0.00 1.12 0.00 0.00 29.99 32.08 3i2k n HIS 87 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3i2k h VAL 88 N 0.00 0.06 -0.01 1.59 -1.51 -1.99 -2.92 116.25 111.46 3i2k h VAL 88 Ca 0.00 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 3i2k h VAL 88 Cb 0.00 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 3i2k h VAL 88 CO 0.00 0.02 -0.22 0.47 -1.23 0.00 0.00 177.57 176.61 3i2k n ASP 89 N -3.12 1.76 0.11 4.19 8.00 -1.26 -4.71 116.55 121.51 3i2k n ASP 89 Ca 0.01 -1.38 -0.02 0.00 0.71 0.00 0.00 54.79 54.10 3i2k n ASP 89 Cb 0.33 0.33 0.04 0.00 -0.02 0.00 0.00 41.12 41.80 3i2k n ASP 89 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3i2k h ASP 90 N 2.05 0.00 0.26 -2.24 3.32 -1.87 -0.79 116.42 117.15 3i2k h ASP 90 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3i2k h ASP 90 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3i2k h ASP 90 CO 0.00 0.74 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.81 3i2k h GLU 91 N 0.00 -0.34 -0.39 3.56 5.08 -1.79 -1.38 114.58 119.32 3i2k h GLU 91 Ca -0.01 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3i2k h GLU 91 Cb 1.42 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 3i2k h GLU 91 CO 0.10 -0.16 -0.10 0.00 -1.00 0.00 0.00 179.01 177.85 3i2k h ALA 92 N 0.27 0.54 -0.34 3.43 0.00 -1.87 -1.39 119.26 119.91 3i2k h ALA 92 Ca -0.04 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3i2k h ALA 92 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i2k h ALA 92 CO 0.06 0.41 -0.20 -0.44 0.00 0.00 0.00 179.25 179.09 3i2k h ASP 93 N 0.57 0.64 -0.35 0.00 3.32 -1.20 -0.75 116.42 118.65 3i2k h ASP 93 Ca 0.10 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 3i2k h ASP 93 Cb 0.62 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3i2k h ASP 93 CO 0.04 0.84 0.04 0.00 -1.72 0.00 0.00 179.24 178.44 3i2k h ALA 94 N 1.22 0.47 -0.29 3.45 0.00 -1.15 -0.49 119.26 122.47 3i2k h ALA 94 Ca 0.09 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3i2k h ALA 94 Cb 0.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3i2k h ALA 94 CO 0.05 0.19 0.14 1.49 0.00 0.00 0.00 179.25 181.12 3i2k h GLU 95 N 0.42 0.29 -0.44 0.00 4.81 -0.89 0.52 114.58 119.30 3i2k h GLU 95 Ca 0.11 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3i2k h GLU 95 Cb 0.38 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3i2k h GLU 95 CO 0.01 0.19 -0.08 -0.44 -0.73 0.00 0.00 179.01 177.96 3i2k h ASP 96 N 0.30 0.76 -0.26 1.04 3.32 -1.09 -1.56 116.42 118.92 3i2k h ASP 96 Ca 0.12 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 3i2k h ASP 96 Cb 0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3i2k h ASP 96 CO -0.09 0.87 -0.14 0.74 -1.72 0.00 0.00 179.24 178.90 3i2k h THR 97 N 0.71 1.30 -0.75 0.35 2.02 -0.71 -1.43 112.91 114.39 3i2k h THR 97 Ca 0.13 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.07 3i2k h THR 97 Cb 0.54 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 3i2k h THR 97 CO 0.03 0.39 0.49 -0.07 0.37 0.00 0.00 175.52 176.73 3i2k h LEU 98 N 0.29 0.87 -0.45 2.58 3.38 -0.78 -0.60 115.31 120.60 3i2k h LEU 98 Ca 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3i2k h LEU 98 Cb 0.66 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3i2k h LEU 98 CO 0.04 0.64 0.30 0.28 0.09 0.00 0.00 178.44 179.79 3i2k h SER 99 N 1.02 0.52 -0.40 -0.43 0.02 -1.17 -0.98 113.55 112.14 3i2k h SER 99 Ca 0.27 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3i2k h SER 99 Cb -0.10 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3i2k h SER 99 CO -0.06 0.38 0.24 -0.25 -1.14 0.00 0.00 176.83 176.01 3i2k h TRP 100 N 0.61 0.52 -0.39 3.45 7.01 -0.83 -2.41 115.95 123.91 3i2k h TRP 100 Ca 0.17 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.19 3i2k h TRP 100 Cb -0.06 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.79 3i2k h TRP 100 CO -0.04 0.37 0.20 0.82 -2.79 0.00 0.00 178.44 177.00 3i2k h ILE 101 N 0.53 0.99 0.00 2.65 2.04 -0.75 -2.14 117.51 120.83 3i2k h ILE 101 Ca 0.14 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3i2k h ILE 101 Cb -0.00 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3i2k h ILE 101 CO -0.03 0.08 -0.07 -0.07 0.00 0.00 0.00 178.15 178.06 3i2k h LEU 102 N 0.41 0.00 -0.33 1.44 3.38 -0.91 -1.22 115.31 118.08 3i2k h LEU 102 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3i2k h LEU 102 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i2k h LEU 102 CO -0.11 0.07 0.00 -0.33 0.09 0.00 0.00 178.44 178.16 3i2k h GLU 103 N 0.00 0.00 -7.09 1.13 5.08 -0.89 -3.45 114.58 109.36 3i2k h GLU 103 Ca -0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 3i2k h GLU 103 Cb 0.17 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.47 3i2k h GLU 103 CO 0.01 0.00 0.40 -0.65 -1.00 0.00 0.00 179.01 177.77 3i2k s GLN 104 N -3.30 3.58 0.53 2.33 -1.52 -0.46 -4.92 119.66 115.90 3i2k s GLN 104 Ca 0.06 1.44 0.21 0.00 -1.95 0.00 0.00 55.36 55.13 3i2k s GLN 104 Cb 0.06 -2.05 1.36 0.00 -0.22 0.00 0.00 33.01 32.17 3i2k s GLN 104 CO 0.63 -0.63 2.08 0.00 -0.25 0.00 0.00 175.29 177.13 3i2k h ALA 105 N 1.32 2.19 -0.02 6.09 0.00 -1.91 -2.21 119.26 124.71 3i2k h ALA 105 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i2k h ALA 105 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i2k h ALA 105 CO 0.58 -0.30 -0.03 -2.67 0.00 0.00 0.00 179.25 176.83 3i2k n TRP 106 N -4.40 0.00 -3.68 0.00 4.27 -1.26 -4.33 117.44 108.04 3i2k n TRP 106 Ca 0.03 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.28 3i2k n TRP 106 Cb 0.33 -0.01 -0.09 0.00 -1.36 0.00 0.00 31.31 30.19 3i2k n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3i2k n ASP 108 N 3.92 1.91 0.00 0.00 5.75 -0.12 -4.69 116.55 123.31 3i2k n ASP 108 Ca -0.15 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 3i2k n ASP 108 Cb 0.52 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3i2k n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i2k n GLY 109 N 1.05 0.62 3.16 6.12 0.00 -1.26 -4.98 105.19 109.90 3i2k n GLY 109 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3i2k n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2k s ASN 110 N -2.98 3.61 0.03 1.61 0.01 -1.26 -4.59 114.94 111.36 3i2k s ASN 110 Ca 0.00 -0.69 0.06 0.00 -0.71 0.00 0.00 52.86 51.53 3i2k s ASN 110 Cb 0.00 -1.56 -0.02 0.00 0.41 0.00 0.00 41.25 40.08 3i2k s ASN 110 CO 0.00 -0.04 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.67 3i2k s VAL 111 N 1.32 1.52 0.35 1.60 1.01 -0.09 -1.45 120.40 124.66 3i2k s VAL 111 Ca 0.03 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.01 3i2k s VAL 111 Cb -0.14 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3i2k s VAL 111 CO -0.09 0.24 0.17 -0.83 0.00 0.00 0.00 175.10 174.58 3i2k s GLY 112 N -0.96 2.35 0.05 4.51 0.00 0.46 -0.40 107.32 113.34 3i2k s GLY 112 Ca 0.06 -1.60 -0.00 0.00 0.00 0.00 0.00 44.72 43.18 3i2k s GLY 112 CO 0.01 -1.68 -0.04 1.06 0.00 0.00 0.00 173.10 172.45 3i2k s MET 113 N -3.70 0.61 0.24 2.90 -1.94 -0.97 -0.70 119.30 115.75 3i2k s MET 113 Ca 0.31 -1.13 -0.16 0.00 -1.71 0.00 0.00 55.69 53.01 3i2k s MET 113 Cb 0.03 0.09 0.01 0.00 2.01 0.00 0.00 34.83 36.97 3i2k s MET 113 CO 0.18 -0.08 0.54 -0.59 -0.01 0.00 0.00 175.02 175.06 3i2k s PHE 114 N -3.38 0.14 0.00 -0.03 -0.71 -1.22 -1.62 117.98 111.17 3i2k s PHE 114 Ca 0.04 -0.53 0.00 0.00 -1.04 0.00 0.00 56.93 55.40 3i2k s PHE 114 Cb 0.04 0.34 0.00 0.00 -1.21 0.00 0.00 43.02 42.19 3i2k s PHE 114 CO -0.07 -1.03 0.00 0.41 -1.34 0.00 0.00 175.22 173.19 3i2k n GLY 115 N -0.39 3.04 3.38 1.99 0.00 -1.17 -4.60 105.19 107.44 3i2k n GLY 115 Ca -0.04 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 3i2k n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2k s VAL 116 N -2.00 2.28 0.00 1.61 0.11 -1.26 -1.44 120.40 119.70 3i2k s VAL 116 Ca 0.00 -1.50 0.00 0.00 -2.93 0.00 0.00 61.98 57.55 3i2k s VAL 116 Cb 0.00 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.90 3i2k s VAL 116 CO 0.00 0.26 0.00 -0.24 -3.33 0.00 0.00 175.10 171.79 3i2k n SER 117 N 1.41 0.00 0.21 3.54 2.88 0.21 -1.36 113.62 120.51 3i2k n SER 117 Ca -0.17 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.41 3i2k n SER 117 Cb 0.52 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.43 3i2k n SER 117 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3i2k h TYR 118 N 0.00 0.00 0.00 0.66 5.03 -1.90 0.20 116.97 120.95 3i2k h TYR 118 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3i2k h TYR 118 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 3i2k h TYR 118 CO 0.00 0.26 0.00 1.28 -1.32 0.00 0.00 178.16 178.38 3i2k n LEU 119 N -4.18 0.15 -0.09 2.82 4.32 -0.46 -1.98 117.00 117.57 3i2k n LEU 119 Ca -0.02 0.53 -0.23 0.00 -0.02 0.00 0.00 56.01 56.27 3i2k n LEU 119 Cb 0.32 -0.50 -0.12 0.00 -1.62 0.00 0.00 43.42 41.50 3i2k n LEU 119 CO 0.37 -0.25 -0.99 0.61 -1.22 0.00 0.00 177.39 175.90 3i2k n GLY 120 N 0.33 -0.58 0.30 -0.72 0.00 0.50 -4.23 105.19 100.79 3i2k n GLY 120 Ca 0.04 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.98 3i2k n GLY 120 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i2k h VAL 121 N -0.58 0.93 0.00 1.61 2.07 -0.94 -1.36 116.25 117.98 3i2k h VAL 121 Ca -0.51 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3i2k h VAL 121 Cb 1.66 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3i2k h VAL 121 CO -0.18 0.14 0.00 0.71 0.02 0.00 0.00 177.57 178.26 3i2k h THR 122 N 0.79 0.00 -0.13 2.57 1.35 -1.62 -1.94 112.91 113.93 3i2k h THR 122 Ca 0.38 -0.19 -0.22 0.00 -0.55 0.00 0.00 66.41 65.83 3i2k h THR 122 Cb 0.31 1.17 0.01 0.00 -1.73 0.00 0.00 68.15 67.91 3i2k h THR 122 CO -0.23 0.00 -0.77 1.56 -0.25 0.00 0.00 175.52 175.84 3i2k h GLN 123 N 0.00 0.75 -0.61 4.72 4.20 -1.43 -1.26 115.11 121.48 3i2k h GLN 123 Ca 0.00 -0.63 -0.06 0.00 0.06 0.00 0.00 58.65 58.01 3i2k h GLN 123 Cb 0.19 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3i2k h GLN 123 CO 0.00 1.24 0.12 -1.49 -0.67 0.00 0.00 178.83 178.03 3i2k h TRP 124 N 0.46 1.01 -0.28 2.96 4.06 -1.33 0.55 115.95 123.38 3i2k h TRP 124 Ca -0.06 -0.12 -0.06 0.00 2.06 0.00 0.00 58.89 60.71 3i2k h TRP 124 Cb 1.40 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 29.26 3i2k h TRP 124 CO 0.09 0.85 -0.08 1.96 -3.56 0.00 0.00 178.44 177.70 3i2k h GLN 125 N 0.92 0.45 -0.23 0.49 4.20 -1.38 -2.41 115.11 117.15 3i2k h GLN 125 Ca 0.19 -0.11 -0.19 0.00 0.06 0.00 0.00 58.65 58.60 3i2k h GLN 125 Cb 0.37 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3i2k h GLN 125 CO 0.01 0.54 -0.60 0.00 -0.67 0.00 0.00 178.83 178.11 3i2k h ALA 126 N 1.49 0.51 0.00 3.87 0.00 -0.84 -3.31 119.26 120.98 3i2k h ALA 126 Ca 0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3i2k h ALA 126 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3i2k h ALA 126 CO 0.02 0.69 -0.17 0.00 0.00 0.00 0.00 179.25 179.79 3i2k h ALA 127 N 0.76 1.31 -0.11 0.00 0.00 -0.39 -1.75 119.26 119.07 3i2k h ALA 127 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i2k h ALA 127 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i2k h ALA 127 CO 0.12 0.21 0.00 1.33 0.00 0.00 0.00 179.25 180.92 3i2k n VAL 128 N -3.74 0.14 0.24 0.00 0.24 -1.11 -4.19 118.33 109.91 3i2k n VAL 128 Ca -0.02 -0.22 0.12 0.00 -2.04 0.00 0.00 64.34 62.18 3i2k n VAL 128 Cb 0.28 0.14 0.56 0.00 -1.47 0.00 0.00 33.84 33.35 3i2k n VAL 128 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3i2k h SER 129 N 1.42 0.00 -0.08 -1.34 4.64 -1.48 -3.47 113.55 113.24 3i2k h SER 129 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3i2k h SER 129 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3i2k h SER 129 CO 0.00 0.16 -0.03 0.61 -0.87 0.00 0.00 176.83 176.70 3i2k n GLY 130 N -0.03 0.52 3.60 -0.77 0.00 -1.26 -4.99 105.19 102.26 3i2k n GLY 130 Ca -0.00 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 3i2k n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2k s VAL 131 N -1.93 4.28 0.48 1.61 1.01 -1.26 -4.90 120.40 119.68 3i2k s VAL 131 Ca 0.00 1.25 0.17 0.00 0.00 0.00 0.00 61.98 63.40 3i2k s VAL 131 Cb 0.00 -4.56 0.23 0.00 0.00 0.00 0.00 36.38 32.05 3i2k s VAL 131 CO 0.00 -0.91 2.07 1.23 0.00 0.00 0.00 175.10 177.48 3i2k h GLY 132 N 10.98 0.00 2.00 4.51 0.00 -1.99 -2.22 103.07 116.36 3i2k h GLY 132 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3i2k h GLY 132 CO 1.10 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 176.31 3i2k h GLY 133 N 0.37 0.00 -6.84 4.60 0.00 -1.91 -3.40 103.07 95.90 3i2k h GLY 133 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3i2k h GLY 133 CO 0.01 0.00 0.97 -2.27 0.00 0.00 0.00 176.54 175.26 3i2k s LEU 134 N -5.17 3.54 -0.02 3.11 2.96 -0.84 -0.91 118.68 121.36 3i2k s LEU 134 Ca 0.01 0.36 0.21 0.00 -0.22 0.00 0.00 54.13 54.49 3i2k s LEU 134 Cb 0.09 -3.38 -0.29 0.00 0.50 0.00 0.00 46.19 43.11 3i2k s LEU 134 CO 0.41 -1.39 0.56 0.29 -1.32 0.00 0.00 176.35 174.91 3i2k n LYS 135 N 8.15 0.56 -3.59 1.98 4.76 0.46 -4.96 118.16 125.52 3i2k n LYS 135 Ca 0.11 -0.14 -0.10 0.00 -2.87 0.00 0.00 58.31 55.31 3i2k n LYS 135 Cb 0.49 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 3i2k n LYS 135 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i2k s ALA 136 N -3.29 -1.95 0.24 7.82 0.00 -1.24 -4.18 121.76 119.16 3i2k s ALA 136 Ca -0.03 1.66 0.05 0.00 0.00 0.00 0.00 51.96 53.63 3i2k s ALA 136 Cb 0.14 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 3i2k s ALA 136 CO 0.85 -0.29 -0.03 0.96 0.00 0.00 0.00 175.76 177.25 3i2k s ILE 137 N -0.75 1.25 -0.43 0.00 -4.36 -0.53 -2.28 121.20 114.10 3i2k s ILE 137 Ca -0.00 -2.07 0.06 0.00 -0.26 0.00 0.00 60.65 58.38 3i2k s ILE 137 Cb -0.02 -2.33 0.20 0.00 1.25 0.00 0.00 42.46 41.56 3i2k s ILE 137 CO -0.01 -0.36 0.49 0.00 0.24 0.00 0.00 174.94 175.31 3i2k n ALA 138 N -0.45 1.76 -2.65 2.27 0.00 -0.64 -1.15 120.51 119.66 3i2k n ALA 138 Ca -0.06 -2.78 -0.42 0.00 0.00 0.00 0.00 53.44 50.19 3i2k n ALA 138 Cb 0.63 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 3i2k n ALA 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i2k s PRO 139 N -0.15 4.19 -0.13 0.00 0.04 -1.10 -3.04 135.00 134.82 3i2k s PRO 139 Ca 0.33 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.25 3i2k s PRO 139 Cb 0.09 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 3i2k s PRO 139 CO -0.16 -0.47 -0.02 0.45 0.04 0.00 0.00 177.00 176.84 3i2k s SER 140 N 1.32 4.98 -1.25 6.66 0.15 -0.52 -2.62 113.70 122.40 3i2k s SER 140 Ca 0.34 -0.02 -0.10 0.00 0.70 0.00 0.00 55.95 56.87 3i2k s SER 140 Cb -0.15 -1.64 -0.01 0.00 -1.71 0.00 0.00 66.02 62.51 3i2k s SER 140 CO 0.08 0.25 0.66 0.23 1.20 0.00 0.00 173.24 175.66 3i2k n MET 141 N 3.00 -2.65 -4.45 5.44 2.81 0.21 -0.62 117.12 120.85 3i2k n MET 141 Ca -0.18 0.48 -0.24 0.00 -1.81 0.00 0.00 57.70 55.95 3i2k n MET 141 Cb 0.53 -4.51 -0.08 0.00 -0.71 0.00 0.00 33.22 28.45 3i2k n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i2k s ALA 142 N -3.66 2.67 0.02 3.04 0.00 -1.26 -3.12 121.76 119.45 3i2k s ALA 142 Ca 0.23 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 3i2k s ALA 142 Cb -0.08 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.01 3i2k s ALA 142 CO 0.86 -0.43 0.17 0.45 0.00 0.00 0.00 175.76 176.81 3i2k s SER 143 N -3.55 0.03 -0.01 0.00 0.15 -1.26 -2.93 113.70 106.12 3i2k s SER 143 Ca 0.28 -0.30 0.12 0.00 0.70 0.00 0.00 55.95 56.75 3i2k s SER 143 Cb 0.02 0.26 0.35 0.00 -1.71 0.00 0.00 66.02 64.94 3i2k s SER 143 CO 0.18 -0.48 1.29 0.00 1.20 0.00 0.00 173.24 175.44 3i2k n ALA 144 N 0.99 2.26 -3.47 5.45 0.00 -1.26 -4.55 120.51 119.94 3i2k n ALA 144 Ca -0.20 -1.24 -0.21 0.00 0.00 0.00 0.00 53.44 51.78 3i2k n ALA 144 Cb 0.57 -0.50 -0.12 0.00 0.00 0.00 0.00 19.45 19.41 3i2k n ALA 144 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i2k s ASP 145 N -1.06 2.15 0.37 0.00 -1.08 -1.26 -0.54 116.67 115.23 3i2k s ASP 145 Ca 0.27 -0.78 0.18 0.00 -0.52 0.00 0.00 52.55 51.70 3i2k s ASP 145 Cb 0.15 0.22 0.62 0.00 -1.46 0.00 0.00 42.92 42.45 3i2k s ASP 145 CO 0.17 -0.39 1.71 -0.07 0.52 0.00 0.00 175.17 177.10 3i2k h LEU 146 N 8.32 0.00 0.11 -1.34 -0.00 -1.86 -1.09 115.31 119.45 3i2k h LEU 146 Ca -0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.71 3i2k h LEU 146 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 3i2k h LEU 146 CO 0.35 0.39 -0.05 0.22 -0.00 0.00 0.00 178.44 179.34 3i2k h TYR 147 N 0.00 -0.14 0.00 1.13 5.03 -1.96 -2.57 116.97 118.46 3i2k h TYR 147 Ca -0.00 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.20 3i2k h TYR 147 Cb 0.94 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 3i2k h TYR 147 CO 0.00 0.05 -0.48 0.00 -1.32 0.00 0.00 178.16 176.41 3i2k h ARG 148 N -0.31 0.00 -1.95 1.82 3.08 -1.73 0.97 114.38 116.27 3i2k h ARG 148 Ca -0.02 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3i2k h ARG 148 Cb 0.25 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.09 3i2k h ARG 148 CO 0.03 0.48 0.09 0.00 -1.07 0.00 0.00 179.97 179.49 3i2k s ALA 149 N -3.90 -1.90 -2.38 0.04 0.00 -0.46 -3.85 121.76 109.32 3i2k s ALA 149 Ca -0.02 2.32 0.19 0.00 0.00 0.00 0.00 51.96 54.45 3i2k s ALA 149 Cb 0.13 -1.41 0.17 0.00 0.00 0.00 0.00 23.12 22.02 3i2k s ALA 149 CO 0.74 -0.37 1.13 -0.35 0.00 0.00 0.00 175.76 176.91 3i2k n PRO 150 N 3.90 1.75 0.05 0.00 -0.04 -1.17 -3.90 135.00 135.57 3i2k n PRO 150 Ca -0.19 -1.70 -0.22 0.00 -0.04 0.00 0.00 63.50 61.36 3i2k n PRO 150 Cb 0.58 -1.38 -0.15 0.00 -0.04 0.00 0.00 33.50 32.52 3i2k n PRO 150 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3i2k h TRP 151 N 3.78 0.61 0.00 0.54 -0.00 -1.60 -3.43 115.95 115.86 3i2k h TRP 151 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 58.89 58.44 3i2k h TRP 151 Cb 0.81 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 29.95 3i2k h TRP 151 CO 0.02 1.69 0.00 0.66 -0.00 0.00 0.00 178.44 180.81 3i2k n TYR 152 N -3.53 0.00 0.00 0.49 4.02 0.26 -0.58 117.16 117.82 3i2k n TYR 152 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 3i2k n TYR 152 Cb 1.06 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.38 3i2k n TYR 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i2k n GLY 153 N 5.00 0.09 0.18 2.72 0.00 -0.77 -4.29 105.19 108.12 3i2k n GLY 153 Ca 0.00 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.13 3i2k n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2k h PRO 154 N 0.00 0.00 -0.00 1.61 0.13 -1.87 -2.16 132.00 129.70 3i2k h PRO 154 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i2k h PRO 154 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i2k h PRO 154 CO 0.00 0.00 -0.57 0.41 -0.23 0.00 0.00 178.00 177.61 3i2k n GLY 155 N -0.82 -0.79 2.01 1.56 0.00 -1.25 -4.94 105.19 100.96 3i2k n GLY 155 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 3i2k n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2k n GLY 156 N 1.45 0.38 3.74 -0.02 0.00 -0.81 -1.19 105.19 108.73 3i2k n GLY 156 Ca 0.07 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 3i2k n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2k s ALA 157 N -2.02 3.45 0.13 4.61 0.00 -1.26 -4.77 121.76 121.89 3i2k s ALA 157 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 3i2k s ALA 157 Cb 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 23.12 21.58 3i2k s ALA 157 CO 0.00 0.67 1.31 -1.17 0.00 0.00 0.00 175.76 176.58 3i2k s LEU 158 N -1.68 4.39 -1.31 0.00 2.96 -1.26 -3.60 118.68 118.17 3i2k s LEU 158 Ca 0.22 2.26 -0.14 0.00 -0.22 0.00 0.00 54.13 56.25 3i2k s LEU 158 Cb -0.12 -3.59 0.11 0.00 0.50 0.00 0.00 46.19 43.09 3i2k s LEU 158 CO 0.13 -0.56 1.80 -1.20 -1.32 0.00 0.00 176.35 175.19 3i2k n SER 159 N 3.56 4.80 -0.13 3.68 7.64 0.25 -0.76 113.62 132.67 3i2k n SER 159 Ca 0.09 -2.95 -0.09 0.00 1.01 0.00 0.00 58.87 56.93 3i2k n SER 159 Cb 0.43 -1.63 0.06 0.00 -1.01 0.00 0.00 64.21 62.06 3i2k n SER 159 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3i2k h VAL 160 N 4.62 1.27 -0.36 0.44 3.04 -1.66 -1.97 116.25 121.63 3i2k h VAL 160 Ca 0.43 -1.32 -0.08 0.00 -1.01 0.00 0.00 66.70 64.73 3i2k h VAL 160 Cb 0.77 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 31.16 3i2k h VAL 160 CO 1.53 0.45 -0.09 1.05 -1.01 0.00 0.00 177.57 179.50 3i2k h GLU 161 N 0.77 0.62 -0.22 4.17 -0.00 -1.63 -1.11 114.58 117.19 3i2k h GLU 161 Ca 0.11 -0.18 -0.01 0.00 -0.00 0.00 0.00 59.36 59.28 3i2k h GLU 161 Cb 0.72 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 29.40 3i2k h GLU 161 CO 0.06 0.70 0.08 0.00 -0.00 0.00 0.00 179.01 179.85 3i2k h ALA 162 N 1.33 0.28 0.13 1.06 0.00 -1.70 -1.31 119.26 119.06 3i2k h ALA 162 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i2k h ALA 162 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3i2k h ALA 162 CO 0.03 -0.12 -0.06 1.25 0.00 0.00 0.00 179.25 180.35 3i2k h LEU 163 N 0.19 -0.14 -0.33 0.00 5.85 -1.05 -1.14 115.31 118.69 3i2k h LEU 163 Ca 0.07 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.60 3i2k h LEU 163 Cb 0.19 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3i2k h LEU 163 CO -0.00 -0.08 -0.49 -0.07 -0.34 0.00 0.00 178.44 177.46 3i2k h LEU 164 N -0.20 0.99 -0.16 2.25 3.38 -1.23 -0.96 115.31 119.39 3i2k h LEU 164 Ca -0.02 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 3i2k h LEU 164 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3i2k h LEU 164 CO 0.03 1.31 0.08 1.23 0.09 0.00 0.00 178.44 181.18 3i2k h GLY 165 N 0.72 0.24 1.02 0.83 0.00 -1.24 -1.81 103.07 102.82 3i2k h GLY 165 Ca 0.03 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 3i2k h GLY 165 CO 0.11 0.11 -0.11 -0.25 0.00 0.00 0.00 176.54 176.40 3i2k h TRP 166 N 0.14 0.96 -0.64 5.60 7.01 -1.17 -1.45 115.95 126.40 3i2k h TRP 166 Ca 0.05 -0.21 -0.01 0.00 2.11 0.00 0.00 58.89 60.84 3i2k h TRP 166 Cb 0.10 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 3i2k h TRP 166 CO -0.03 0.96 0.37 0.77 -2.79 0.00 0.00 178.44 177.72 3i2k h SER 167 N 0.68 0.76 -0.41 2.65 0.02 -1.14 0.90 113.55 117.01 3i2k h SER 167 Ca 0.11 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 3i2k h SER 167 Cb 0.65 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3i2k h SER 167 CO 0.04 0.60 -0.21 0.00 -1.14 0.00 0.00 176.83 176.12 3i2k h ALA 168 N 1.53 0.78 -0.25 3.77 0.00 -0.99 0.11 119.26 124.22 3i2k h ALA 168 Ca 0.23 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3i2k h ALA 168 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3i2k h ALA 168 CO -0.04 0.66 0.07 1.25 0.00 0.00 0.00 179.25 181.19 3i2k h LEU 169 N 0.79 0.37 -0.65 0.00 5.85 -0.37 -1.08 115.31 120.21 3i2k h LEU 169 Ca 0.11 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3i2k h LEU 169 Cb 0.76 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3i2k h LEU 169 CO 0.06 0.48 0.27 0.40 -0.34 0.00 0.00 178.44 179.32 3i2k h ILE 170 N 0.23 1.23 -0.72 4.05 1.08 -0.77 -2.56 117.51 120.05 3i2k h ILE 170 Ca 0.08 -0.72 0.10 0.00 -0.39 0.00 0.00 64.86 63.93 3i2k h ILE 170 Cb 0.25 0.48 -0.07 0.00 -3.07 0.00 0.00 36.82 34.41 3i2k h ILE 170 CO -0.00 0.29 0.36 1.23 -0.69 0.00 0.00 178.15 179.33 3i2k h GLY 171 N 0.92 1.09 1.43 5.37 0.00 -0.53 -2.93 103.07 108.41 3i2k h GLY 171 Ca 0.22 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3i2k h GLY 171 CO -0.02 0.05 -0.56 -0.84 0.00 0.00 0.00 176.54 175.17 3i2k h THR 172 N 0.60 1.32 -0.33 4.70 2.02 -0.81 -2.36 112.91 118.04 3i2k h THR 172 Ca 0.36 -1.81 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 3i2k h THR 172 Cb 0.39 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 3i2k h THR 172 CO -0.28 0.56 0.05 1.23 0.37 0.00 0.00 175.52 177.45 3i2k h GLY 173 N 1.02 0.53 1.44 2.16 0.00 -1.39 -1.81 103.07 105.03 3i2k h GLY 173 Ca 0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3i2k h GLY 173 CO 0.11 0.27 0.02 1.41 0.00 0.00 0.00 176.54 178.35 3i2k h LEU 174 N 0.48 0.65 0.06 3.11 3.38 -1.25 -1.91 115.31 119.84 3i2k h LEU 174 Ca 0.11 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i2k h LEU 174 Cb 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3i2k h LEU 174 CO 0.00 0.71 -0.03 0.40 0.09 0.00 0.00 178.44 179.61 3i2k h ILE 175 N 0.65 1.26 0.00 1.22 2.04 -1.27 -2.99 117.51 118.42 3i2k h ILE 175 Ca 0.14 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.47 3i2k h ILE 175 Cb 0.37 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 3i2k h ILE 175 CO 0.01 0.36 0.00 0.35 0.00 0.00 0.00 178.15 178.87 3i2k n THR 176 N -4.79 1.02 0.70 -0.27 -2.24 -0.71 -2.35 114.28 105.63 3i2k n THR 176 Ca -0.08 0.43 0.08 0.00 -2.27 0.00 0.00 64.05 62.21 3i2k n THR 176 Cb 0.32 -1.37 0.03 0.00 -2.10 0.00 0.00 70.33 67.21 3i2k n THR 176 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i2k n SER 177 N -2.10 1.99 -4.75 3.42 3.41 -0.72 -4.99 113.62 109.88 3i2k n SER 177 Ca 0.01 -1.50 -0.42 0.00 -0.26 0.00 0.00 58.87 56.71 3i2k n SER 177 Cb 0.14 0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 3i2k n SER 177 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i2k s ARG 178 N -1.64 4.12 0.00 4.33 0.52 -0.99 -4.94 118.95 120.35 3i2k s ARG 178 Ca 0.16 2.59 0.00 0.00 -0.52 0.00 0.00 55.73 57.96 3i2k s ARG 178 Cb 0.13 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.58 3i2k s ARG 178 CO 0.30 -0.65 0.83 -1.13 0.02 0.00 0.00 175.30 174.68 3i2k n SER 179 N 2.37 0.00 -4.48 0.23 3.41 -1.26 -4.53 113.62 109.37 3i2k n SER 179 Ca 0.09 0.83 -0.34 0.00 -0.26 0.00 0.00 58.87 59.20 3i2k n SER 179 Cb 0.37 -0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 3i2k n SER 179 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3i2k s ASP 180 N -2.35 4.70 0.78 4.04 1.01 -1.26 -5.09 116.67 118.49 3i2k s ASP 180 Ca 0.00 -0.16 -0.15 0.00 0.71 0.00 0.00 52.55 52.95 3i2k s ASP 180 Cb 0.00 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 42.17 3i2k s ASP 180 CO 0.00 0.16 0.71 0.00 0.21 0.00 0.00 175.17 176.26 3i2k n ALA 181 N 3.57 -1.18 -2.90 5.23 0.00 -1.26 -5.03 120.51 118.94 3i2k n ALA 181 Ca -0.17 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.68 3i2k n ALA 181 Cb 0.52 -1.97 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 3i2k n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i2k s ARG 182 N -3.26 3.30 0.43 0.00 0.52 -1.26 -5.03 118.95 113.64 3i2k s ARG 182 Ca 0.67 -0.60 0.11 0.00 -0.52 0.00 0.00 55.73 55.39 3i2k s ARG 182 Cb -0.31 -2.92 0.97 0.00 0.52 0.00 0.00 34.95 33.21 3i2k s ARG 182 CO 0.57 0.55 2.01 -1.35 0.02 0.00 0.00 175.30 177.09 3i2k h PRO 183 N 2.59 0.45 -0.00 3.54 0.11 -2.06 -2.01 132.00 134.61 3i2k h PRO 183 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i2k h PRO 183 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3i2k h PRO 183 CO 0.70 0.30 -0.03 -0.85 -0.21 0.00 0.00 178.00 177.91 3i2k n GLU 184 N -4.47 0.27 -0.18 1.05 0.00 -1.26 -4.21 120.64 111.84 3i2k n GLU 184 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 57.16 57.15 3i2k n GLU 184 Cb 0.27 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.24 3i2k n GLU 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3i2k h ASP 185 N 0.05 0.59 -0.30 -1.84 3.32 -1.77 -1.06 116.42 115.41 3i2k h ASP 185 Ca 0.00 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3i2k h ASP 185 Cb 0.38 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3i2k h ASP 185 CO 0.00 0.43 0.15 0.00 -1.72 0.00 0.00 179.24 178.10 3i2k h ALA 186 N 1.20 0.36 -0.58 3.45 0.00 -1.78 -0.24 119.26 121.68 3i2k h ALA 186 Ca 0.20 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3i2k h ALA 186 Cb -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3i2k h ALA 186 CO -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 179.25 178.93 3i2k h ALA 187 N 1.15 0.78 -0.78 0.00 0.00 -1.79 -2.43 119.26 116.19 3i2k h ALA 187 Ca 0.12 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3i2k h ALA 187 Cb 0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3i2k h ALA 187 CO -0.08 0.64 0.51 -0.44 0.00 0.00 0.00 179.25 179.88 3i2k h ASP 188 N 0.93 0.89 -0.57 0.00 3.32 -0.74 -1.53 116.42 118.73 3i2k h ASP 188 Ca 0.16 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 3i2k h ASP 188 Cb 0.59 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3i2k h ASP 188 CO 0.04 0.65 -0.01 0.15 -1.72 0.00 0.00 179.24 178.35 3i2k h PHE 189 N 1.05 1.12 -0.76 4.55 3.04 -0.85 -0.09 116.94 125.00 3i2k h PHE 189 Ca 0.28 -0.19 0.03 0.00 3.98 0.00 0.00 57.97 62.07 3i2k h PHE 189 Cb -0.12 -0.29 -0.05 0.00 2.56 0.00 0.00 35.95 38.05 3i2k h PHE 189 CO -0.02 0.99 0.48 0.28 -2.02 0.00 0.00 178.31 178.03 3i2k h VAL 190 N 0.94 1.11 -0.27 1.41 2.07 -1.10 -0.75 116.25 119.66 3i2k h VAL 190 Ca 0.17 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 3i2k h VAL 190 Cb 0.56 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3i2k h VAL 190 CO 0.03 0.17 -0.37 1.56 0.02 0.00 0.00 177.57 178.98 3i2k h GLN 191 N 0.94 0.61 -0.55 1.57 4.20 -0.81 -1.87 115.11 119.21 3i2k h GLN 191 Ca 0.31 -0.30 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 3i2k h GLN 191 Cb 0.02 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3i2k h GLN 191 CO -0.11 0.88 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.78 3i2k h LEU 192 N 0.51 1.01 -1.19 1.46 3.38 -0.71 -2.29 115.31 117.48 3i2k h LEU 192 Ca 0.05 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3i2k h LEU 192 Cb 0.87 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3i2k h LEU 192 CO 0.08 1.11 0.35 0.00 0.09 0.00 0.00 178.44 180.07 3i2k h ALA 193 N 0.93 1.38 -0.36 1.53 0.00 -0.97 -1.72 119.26 120.05 3i2k h ALA 193 Ca 0.15 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3i2k h ALA 193 Cb 0.64 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3i2k h ALA 193 CO 0.04 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 3i2k h ALA 194 N 1.47 1.24 -0.06 0.00 0.00 -0.96 0.14 119.26 121.08 3i2k h ALA 194 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i2k h ALA 194 Cb 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3i2k h ALA 194 CO -0.04 0.50 -0.00 0.82 0.00 0.00 0.00 179.25 180.53 3i2k h ILE 195 N 0.56 1.26 0.00 0.00 2.04 -0.91 -2.77 117.51 117.69 3i2k h ILE 195 Ca 0.11 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 3i2k h ILE 195 Cb 0.44 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 3i2k h ILE 195 CO 0.02 0.22 -0.21 -0.07 0.00 0.00 0.00 178.15 178.11 3i2k h LEU 196 N -0.19 0.00 -0.01 1.44 3.38 -0.98 -1.31 115.31 117.64 3i2k h LEU 196 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i2k h LEU 196 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3i2k h LEU 196 CO 0.00 0.21 0.00 0.59 0.09 0.00 0.00 178.44 179.34 3i2k n ASN 197 N -4.06 0.36 -2.85 -0.43 3.02 0.01 -4.45 115.26 106.86 3i2k n ASN 197 Ca -0.02 0.54 -0.12 0.00 -0.03 0.00 0.00 54.58 54.95 3i2k n ASN 197 Cb 0.29 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 38.86 3i2k n ASN 197 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i2k n ASP 198 N -1.84 -2.11 0.00 6.41 2.03 -0.55 -5.00 116.55 115.50 3i2k n ASP 198 Ca 0.06 -3.24 -0.10 0.00 0.52 0.00 0.00 54.79 52.04 3i2k n ASP 198 Cb 0.37 1.29 0.05 0.00 -0.72 0.00 0.00 41.12 42.11 3i2k n ASP 198 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3i2k h VAL 199 N 2.73 1.32 -0.68 5.18 2.07 -1.62 -1.60 116.25 123.65 3i2k h VAL 199 Ca -0.09 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.57 3i2k h VAL 199 Cb 1.01 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 3i2k h VAL 199 CO 0.33 0.56 0.27 0.00 0.02 0.00 0.00 177.57 178.76 3i2k h ALA 200 N 0.95 1.19 -0.47 1.67 0.00 -1.94 -0.15 119.26 120.50 3i2k h ALA 200 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3i2k h ALA 200 Cb 1.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3i2k h ALA 200 CO 0.11 0.59 0.23 0.78 0.00 0.00 0.00 179.25 180.95 3i2k h GLY 201 N 1.06 0.73 1.05 0.00 0.00 -1.85 -1.62 103.07 102.45 3i2k h GLY 201 Ca 0.23 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3i2k h GLY 201 CO -0.02 0.35 0.49 0.00 0.00 0.00 0.00 176.54 177.35 3i2k h ALA 202 N 1.07 1.18 0.00 3.60 0.00 -0.88 -2.43 119.26 121.79 3i2k h ALA 202 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i2k h ALA 202 Cb 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3i2k h ALA 202 CO -0.02 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3i2k n ALA 203 N -2.41 2.02 0.64 0.00 0.00 -0.11 -3.38 120.51 117.28 3i2k n ALA 203 Ca 0.09 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.66 3i2k n ALA 203 Cb 0.10 -1.42 0.28 0.00 0.00 0.00 0.00 19.45 18.41 3i2k n ALA 203 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i2k n SER 204 N -2.07 0.69 -4.74 0.00 7.64 -0.64 -4.89 113.62 109.62 3i2k n SER 204 Ca 0.04 0.27 -0.41 0.00 1.01 0.00 0.00 58.87 59.78 3i2k n SER 204 Cb 0.32 -0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.30 3i2k n SER 204 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i2k s VAL 205 N -3.12 3.65 0.02 0.44 1.01 -1.22 -5.02 120.40 116.15 3i2k s VAL 205 Ca 0.08 1.40 0.07 0.00 0.00 0.00 0.00 61.98 63.54 3i2k s VAL 205 Cb 0.14 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3i2k s VAL 205 CO 0.67 0.23 -0.22 0.42 0.00 0.00 0.00 175.10 176.20 3i2k s THR 206 N -0.14 1.75 0.44 3.92 -4.23 -1.26 -3.31 115.64 112.81 3i2k s THR 206 Ca 0.52 -1.09 -0.24 0.00 -1.18 0.00 0.00 61.69 59.69 3i2k s THR 206 Cb -0.32 -1.49 -0.08 0.00 1.34 0.00 0.00 72.50 71.96 3i2k s THR 206 CO 0.36 0.36 1.25 -2.84 -0.54 0.00 0.00 174.62 173.22 3i2k s PRO 207 N -0.87 3.79 0.42 3.99 0.02 -1.26 -4.80 135.00 136.30 3i2k s PRO 207 Ca 0.08 2.02 0.08 0.00 0.02 0.00 0.00 61.00 63.20 3i2k s PRO 207 Cb -0.09 -2.57 0.89 0.00 0.02 0.00 0.00 34.50 32.75 3i2k s PRO 207 CO 0.01 -0.60 2.05 1.25 -0.33 0.00 0.00 177.00 179.38 3i2k h LEU 208 N 2.31 0.41 -0.50 -5.54 5.85 -1.36 -2.52 115.31 113.95 3i2k h LEU 208 Ca -0.50 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3i2k h LEU 208 Cb 1.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3i2k h LEU 208 CO 0.61 0.32 0.00 0.00 -0.34 0.00 0.00 178.44 179.03 3i2k n ALA 209 N -2.48 1.71 -2.83 1.25 0.00 -0.31 -4.41 120.51 113.43 3i2k n ALA 209 Ca 0.02 0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 3i2k n ALA 209 Cb 0.08 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 3i2k n ALA 209 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i2k s GLU 210 N -3.23 3.15 -0.52 0.00 2.02 -0.95 -4.94 118.70 114.22 3i2k s GLU 210 Ca 0.05 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.26 3i2k s GLU 210 Cb 0.10 -4.16 0.16 0.00 0.10 0.00 0.00 34.13 30.33 3i2k s GLU 210 CO 0.38 -1.51 0.37 -0.65 0.02 0.00 0.00 175.26 173.87 3i2k s GLN 211 N 3.34 1.52 0.18 1.61 -1.52 -1.26 -4.91 119.66 118.62 3i2k s GLN 211 Ca 0.20 -2.49 -0.13 0.00 -1.95 0.00 0.00 55.36 50.99 3i2k s GLN 211 Cb -0.18 -2.31 0.13 0.00 -0.22 0.00 0.00 33.01 30.43 3i2k s GLN 211 CO 0.12 -1.30 1.80 -1.35 -0.25 0.00 0.00 175.29 174.31 3i2k h PRO 212 N 5.85 0.53 0.27 2.91 0.11 -1.97 0.12 132.00 139.82 3i2k h PRO 212 Ca 0.16 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 3i2k h PRO 212 Cb 0.86 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3i2k h PRO 212 CO 0.51 0.35 -0.13 1.25 -0.21 0.00 0.00 178.00 179.77 3i2k h LEU 213 N 0.55 -0.31 -0.85 2.35 5.85 -1.99 -2.95 115.31 117.95 3i2k h LEU 213 Ca 0.22 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 3i2k h LEU 213 Cb 0.10 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3i2k h LEU 213 CO -0.14 0.17 0.04 -0.07 -0.34 0.00 0.00 178.44 178.10 3i2k h LEU 214 N -1.06 0.86 -1.70 2.25 3.38 -1.94 -1.46 115.31 115.65 3i2k h LEU 214 Ca -0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3i2k h LEU 214 Cb 0.37 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3i2k h LEU 214 CO 0.06 0.90 -0.18 1.23 0.09 0.00 0.00 178.44 180.54 3i2k h GLY 215 N 1.00 0.00 0.28 0.83 0.00 -0.88 0.22 103.07 104.51 3i2k h GLY 215 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 3i2k h GLY 215 CO 0.02 0.00 -0.24 -0.09 0.00 0.00 0.00 176.54 176.23 3i2k h ARG 216 N 0.00 0.11 -0.23 4.80 2.43 -1.23 -3.02 114.38 117.23 3i2k h ARG 216 Ca -0.00 -0.16 -0.18 0.00 -0.81 0.00 0.00 59.98 58.84 3i2k h ARG 216 Cb 0.40 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3i2k h ARG 216 CO 0.02 1.01 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.87 3i2k h LEU 217 N -0.72 0.80 -6.39 3.80 3.38 -1.11 -3.39 115.31 111.68 3i2k h LEU 217 Ca -0.04 -0.43 -0.59 0.00 0.09 0.00 0.00 57.88 56.91 3i2k h LEU 217 Cb 1.12 -0.23 -0.38 0.00 0.09 0.00 0.00 40.66 41.26 3i2k h LEU 217 CO 0.05 1.19 -0.96 -0.63 0.09 0.00 0.00 178.44 178.18 3i2k s ILE 218 N -4.04 0.29 0.45 1.22 1.01 0.75 -5.00 121.20 115.88 3i2k s ILE 218 Ca -0.09 -2.50 0.23 0.00 0.00 0.00 0.00 60.65 58.29 3i2k s ILE 218 Cb 0.11 -1.22 0.43 0.00 0.01 0.00 0.00 42.46 41.78 3i2k s ILE 218 CO 0.87 -1.20 1.82 -0.65 0.00 0.00 0.00 174.94 175.78 3i2k h PRO 219 N 5.84 0.27 -1.20 2.79 0.11 -1.67 -1.26 132.00 136.87 3i2k h PRO 219 Ca 0.24 -0.02 0.36 0.00 0.11 0.00 0.00 66.00 66.69 3i2k h PRO 219 Cb 0.92 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 31.86 3i2k h PRO 219 CO 0.35 0.18 0.78 2.35 -0.21 0.00 0.00 178.00 181.45 3i2k h TRP 220 N 0.28 0.56 -0.82 0.65 7.01 -1.90 -0.43 115.95 121.30 3i2k h TRP 220 Ca 0.53 0.02 0.19 0.00 2.11 0.00 0.00 58.89 61.75 3i2k h TRP 220 Cb 1.56 -0.15 -0.12 0.00 -2.10 0.00 0.00 29.16 28.35 3i2k h TRP 220 CO -0.00 -0.09 0.25 0.28 -2.79 0.00 0.00 178.44 176.09 3i2k h VAL 221 N 0.21 0.46 0.00 2.65 2.07 -1.54 -0.46 116.25 119.64 3i2k h VAL 221 Ca 0.72 -0.10 -0.33 0.00 0.82 0.00 0.00 66.70 67.80 3i2k h VAL 221 Cb 2.12 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3i2k h VAL 221 CO -0.35 0.05 -1.82 -0.38 0.02 0.00 0.00 177.57 175.10 3i2k n ILE 222 N -5.14 1.54 -0.31 4.57 2.08 -0.57 -1.49 119.36 120.04 3i2k n ILE 222 Ca 0.18 -0.19 -0.03 0.00 0.56 0.00 0.00 62.75 63.27 3i2k n ILE 222 Cb 0.56 -1.97 0.13 0.00 -0.75 0.00 0.00 39.64 37.62 3i2k n ILE 222 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3i2k h ASP 223 N -0.97 1.06 0.00 4.38 3.32 -1.03 -0.16 116.42 123.02 3i2k h ASP 223 Ca -0.50 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.47 3i2k h ASP 223 Cb 1.45 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3i2k h ASP 223 CO -0.30 0.83 -0.68 1.67 -1.72 0.00 0.00 179.24 179.05 3i2k n GLN 224 N -4.35 0.44 0.08 3.56 -0.06 -0.24 -4.62 117.38 112.18 3i2k n GLN 224 Ca 0.09 0.34 -0.04 0.00 -2.00 0.00 0.00 57.00 55.39 3i2k n GLN 224 Cb 0.08 -1.46 -0.02 0.00 -4.06 0.00 0.00 30.24 24.78 3i2k n GLN 224 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3i2k h VAL 225 N -0.89 0.00 -0.61 1.69 2.07 -1.37 -2.86 116.25 114.28 3i2k h VAL 225 Ca 0.00 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 3i2k h VAL 225 Cb 0.68 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3i2k h VAL 225 CO 0.00 0.00 0.16 0.58 0.02 0.00 0.00 177.57 178.33 3i2k h VAL 226 N -0.90 1.24 0.00 2.57 2.07 -1.26 -2.78 116.25 117.20 3i2k h VAL 226 Ca -0.03 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3i2k h VAL 226 Cb 0.21 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3i2k h VAL 226 CO 0.05 0.33 0.00 0.47 0.02 0.00 0.00 177.57 178.44 3i2k n ASP 227 N -4.26 0.20 -3.66 0.57 8.00 -0.08 -4.19 116.55 113.14 3i2k n ASP 227 Ca 0.05 0.53 -0.27 0.00 0.71 0.00 0.00 54.79 55.80 3i2k n ASP 227 Cb 0.24 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.65 3i2k n ASP 227 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3i2k n HIS 228 N -1.70 3.26 0.22 1.24 8.25 -1.05 -4.91 115.22 120.53 3i2k n HIS 228 Ca 0.05 -4.21 0.10 0.00 -0.26 0.00 0.00 57.72 53.40 3i2k n HIS 228 Cb 0.27 -0.57 0.42 0.00 1.12 0.00 0.00 29.99 31.23 3i2k n HIS 228 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i2k h PRO 229 N 4.81 0.00 -6.67 -0.41 0.13 -1.76 -3.44 132.00 124.67 3i2k h PRO 229 Ca 0.17 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.80 3i2k h PRO 229 Cb 0.72 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 3i2k h PRO 229 CO 0.76 0.22 0.06 -0.51 -0.23 0.00 0.00 178.00 178.31 3i2k s ASP 230 N -6.18 6.76 -1.29 1.44 1.01 -1.26 -4.95 116.67 112.20 3i2k s ASP 230 Ca 0.01 1.23 -0.16 0.00 0.71 0.00 0.00 52.55 54.34 3i2k s ASP 230 Cb 0.10 -2.35 -0.00 0.00 1.01 0.00 0.00 42.92 41.67 3i2k s ASP 230 CO 0.64 -0.18 2.11 -3.20 0.21 0.00 0.00 175.17 174.75 3i2k n ASN 231 N -0.29 3.66 -1.52 0.27 5.15 0.10 -4.89 115.26 117.74 3i2k n ASN 231 Ca 0.03 -2.81 0.00 0.00 -0.60 0.00 0.00 54.58 51.20 3i2k n ASN 231 Cb 0.53 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.23 3i2k n ASN 231 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3i2k n ASP 232 N 6.87 0.00 0.22 1.20 5.68 -1.26 -4.57 116.55 124.69 3i2k n ASP 232 Ca 0.51 -0.68 0.06 0.00 -0.50 0.00 0.00 54.79 54.18 3i2k n ASP 232 Cb 0.40 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 40.89 3i2k n ASP 232 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i2k h GLU 233 N 0.00 0.00 -0.51 0.11 3.07 -1.98 -0.60 114.58 114.66 3i2k h GLU 233 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 3i2k h GLU 233 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3i2k h GLU 233 CO 0.00 0.22 0.13 0.66 -1.40 0.00 0.00 179.01 178.62 3i2k h SER 234 N 0.00 0.72 0.19 1.42 4.64 -1.94 -1.00 113.55 117.58 3i2k h SER 234 Ca -0.00 -0.12 -0.31 0.00 -0.47 0.00 0.00 61.79 60.89 3i2k h SER 234 Cb 0.41 -0.19 0.03 0.00 -0.31 0.00 0.00 62.40 62.35 3i2k h SER 234 CO 0.03 0.71 -1.32 -0.50 -0.87 0.00 0.00 176.83 174.88 3i2k h TRP 235 N 0.76 0.96 -0.90 4.77 4.06 -1.68 -3.29 115.95 120.62 3i2k h TRP 235 Ca 0.17 -0.66 0.06 0.00 2.06 0.00 0.00 58.89 60.53 3i2k h TRP 235 Cb 0.27 -0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 28.31 3i2k h TRP 235 CO 0.01 1.50 0.59 1.96 -3.56 0.00 0.00 178.44 178.95 3i2k h GLN 236 N 0.14 0.99 -0.87 0.49 1.08 -0.88 -1.68 115.11 114.38 3i2k h GLN 236 Ca -0.22 -0.06 0.08 0.00 -1.45 0.00 0.00 58.65 57.00 3i2k h GLN 236 Cb 2.01 -0.22 -0.06 0.00 -0.05 0.00 0.00 27.48 29.16 3i2k h GLN 236 CO 0.25 0.66 0.57 0.77 -0.95 0.00 0.00 178.83 180.12 3i2k h SER 237 N 1.02 0.83 0.15 1.46 0.02 -1.25 -2.52 113.55 113.26 3i2k h SER 237 Ca 0.39 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3i2k h SER 237 Cb 0.20 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3i2k h SER 237 CO -0.15 0.52 -0.68 2.30 -1.14 0.00 0.00 176.83 177.68 3i2k n ILE 238 N -4.50 0.00 -2.20 3.27 -5.35 -0.90 -4.92 119.36 104.76 3i2k n ILE 238 Ca 0.14 -0.07 -0.41 0.00 -0.27 0.00 0.00 62.75 62.14 3i2k n ILE 238 Cb 0.24 0.80 -0.03 0.00 -1.74 0.00 0.00 39.64 38.91 3i2k n ILE 238 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3i2k s SER 239 N -2.83 6.88 -0.01 7.28 0.15 -0.68 -4.78 113.70 119.72 3i2k s SER 239 Ca 0.13 2.53 0.17 0.00 0.70 0.00 0.00 55.95 59.48 3i2k s SER 239 Cb 0.17 -2.63 -0.21 0.00 -1.71 0.00 0.00 66.02 61.64 3i2k s SER 239 CO 0.72 -0.48 0.60 0.18 1.20 0.00 0.00 173.24 175.47 3i2k n LEU 240 N 1.53 0.54 -0.22 3.45 7.99 0.29 -4.81 117.00 125.78 3i2k n LEU 240 Ca 0.02 -0.34 -0.04 0.00 -0.01 0.00 0.00 56.01 55.64 3i2k n LEU 240 Cb 0.42 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.80 3i2k n LEU 240 CO 0.58 0.13 1.11 0.15 -1.51 0.00 0.00 177.39 177.85 3i2k h PHE 241 N 0.00 0.72 0.00 -1.77 3.57 -1.71 -1.46 116.94 116.29 3i2k h PHE 241 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3i2k h PHE 241 Cb 0.51 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 3i2k h PHE 241 CO 0.00 0.41 -0.11 0.93 -2.23 0.00 0.00 178.31 177.30 3i2k h GLU 242 N 0.75 0.00 0.00 1.11 4.39 -1.89 -1.71 114.58 117.23 3i2k h GLU 242 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3i2k h GLU 242 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3i2k h GLU 242 CO -0.11 0.11 0.00 0.00 -1.16 0.00 0.00 179.01 177.86 3i2k h ARG 243 N 0.00 0.00 -0.66 2.33 3.08 -1.62 -3.36 114.38 114.15 3i2k h ARG 243 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3i2k h ARG 243 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3i2k h ARG 243 CO 0.01 0.00 0.31 -0.07 -1.07 0.00 0.00 179.97 179.16 3i2k h LEU 244 N 0.00 0.85 -2.12 3.04 3.38 -1.14 -2.65 115.31 116.67 3i2k h LEU 244 Ca 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3i2k h LEU 244 Cb 0.76 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3i2k h LEU 244 CO 0.00 0.73 -0.03 1.23 0.09 0.00 0.00 178.44 180.46 3i2k h GLY 245 N 1.02 0.00 1.38 0.83 0.00 -1.73 -2.02 103.07 102.55 3i2k h GLY 245 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3i2k h GLY 245 CO -0.03 0.00 -0.22 0.61 0.00 0.00 0.00 176.54 176.90 3i2k n GLY 246 N -1.33 -1.29 3.88 4.60 0.00 -1.00 -4.91 105.19 105.14 3i2k n GLY 246 Ca -0.03 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 3i2k n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2k s LEU 247 N -2.90 3.18 -0.37 0.99 1.43 -0.76 -5.01 118.68 115.24 3i2k s LEU 247 Ca 0.16 1.33 0.14 0.00 -1.03 0.00 0.00 54.13 54.72 3i2k s LEU 247 Cb 0.19 -4.32 0.42 0.00 0.03 0.00 0.00 46.19 42.51 3i2k s LEU 247 CO 0.59 -0.96 0.93 0.00 0.23 0.00 0.00 176.35 177.14 3i2k n ALA 248 N -2.78 3.46 -3.32 4.21 0.00 -1.26 -4.78 120.51 116.04 3i2k n ALA 248 Ca 0.06 -3.49 -0.35 0.00 0.00 0.00 0.00 53.44 49.66 3i2k n ALA 248 Cb 0.55 -0.86 -0.13 0.00 0.00 0.00 0.00 19.45 19.00 3i2k n ALA 248 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i2k s THR 249 N -3.45 3.62 0.34 0.00 2.01 -1.26 -4.82 115.64 112.08 3i2k s THR 249 Ca 0.35 -0.41 -0.28 0.00 0.31 0.00 0.00 61.69 61.65 3i2k s THR 249 Cb 0.41 -2.65 -0.12 0.00 0.01 0.00 0.00 72.50 70.16 3i2k s THR 249 CO -0.04 0.42 1.35 -2.65 -0.69 0.00 0.00 174.62 173.01 3i2k n PRO 250 N 4.61 2.25 -3.79 4.92 -0.02 -1.26 -4.77 135.00 136.94 3i2k n PRO 250 Ca -0.18 0.79 -0.17 0.00 -2.02 0.00 0.00 63.50 61.92 3i2k n PRO 250 Cb 0.51 -2.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.41 3i2k n PRO 250 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i2k s ALA 251 N -1.00 0.23 -0.48 3.55 0.00 -1.01 -1.46 121.76 121.59 3i2k s ALA 251 Ca 0.56 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.58 3i2k s ALA 251 Cb -0.55 -0.40 0.08 0.00 0.00 0.00 0.00 23.12 22.25 3i2k s ALA 251 CO 0.61 -0.22 0.39 -1.17 0.00 0.00 0.00 175.76 175.38 3i2k s LEU 252 N 1.40 5.65 -0.20 0.00 0.20 -0.30 -1.19 118.68 124.25 3i2k s LEU 252 Ca -0.05 -1.43 -0.07 0.00 0.69 0.00 0.00 54.13 53.28 3i2k s LEU 252 Cb -0.13 -2.16 -0.04 0.00 -0.43 0.00 0.00 46.19 43.44 3i2k s LEU 252 CO -0.03 -0.67 0.06 -0.63 -0.29 0.00 0.00 176.35 174.79 3i2k s ILE 253 N 1.60 4.55 -0.00 6.68 1.01 -0.00 -2.70 121.20 132.34 3i2k s ILE 253 Ca 0.04 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.63 3i2k s ILE 253 Cb -0.25 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 3i2k s ILE 253 CO 0.05 0.42 -0.14 -0.89 0.00 0.00 0.00 174.94 174.38 3i2k s THR 254 N 0.77 3.06 0.21 2.92 2.01 -1.08 -1.17 115.64 122.36 3i2k s THR 254 Ca 0.03 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 3i2k s THR 254 Cb -0.14 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 3i2k s THR 254 CO 0.02 0.44 0.21 0.00 -0.69 0.00 0.00 174.62 174.61 3i2k s ALA 255 N -0.87 0.88 0.00 7.40 0.00 -0.05 -0.62 121.76 128.50 3i2k s ALA 255 Ca 0.14 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.59 3i2k s ALA 255 Cb -0.11 1.32 -0.01 0.00 0.00 0.00 0.00 23.12 24.33 3i2k s ALA 255 CO 0.04 -0.65 -0.06 0.20 0.00 0.00 0.00 175.76 175.29 3i2k s GLY 256 N -3.14 0.32 0.54 0.00 0.00 -1.26 -2.09 107.32 101.70 3i2k s GLY 256 Ca 0.35 -0.32 0.28 0.00 0.00 0.00 0.00 44.72 45.03 3i2k s GLY 256 CO 0.12 -0.29 2.11 1.49 0.00 0.00 0.00 173.10 176.53 3i2k h TRP 257 N 5.80 0.00 -0.27 1.90 -0.00 -0.89 -1.54 115.95 120.95 3i2k h TRP 257 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.60 3i2k h TRP 257 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.35 3i2k h TRP 257 CO 0.44 0.09 0.00 0.66 -0.00 0.00 0.00 178.44 179.63 3i2k n TYR 258 N -3.68 0.95 -3.30 0.49 4.01 -0.26 -4.91 117.16 110.45 3i2k n TYR 258 Ca -0.02 -0.86 -0.38 0.00 -0.16 0.00 0.00 57.90 56.48 3i2k n TYR 258 Cb 0.20 -0.31 -0.06 0.00 -0.31 0.00 0.00 39.34 38.87 3i2k n TYR 258 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i2k s ASP 259 N -1.86 6.92 0.53 7.72 2.15 -0.58 -4.22 116.67 127.33 3i2k s ASP 259 Ca 0.42 1.10 0.30 0.00 0.43 0.00 0.00 52.55 54.80 3i2k s ASP 259 Cb 0.33 -2.33 1.46 0.00 -0.30 0.00 0.00 42.92 42.09 3i2k s ASP 259 CO 0.09 0.18 1.91 1.23 -0.17 0.00 0.00 175.17 178.42 3i2k h GLY 260 N 5.28 0.01 -0.72 2.66 0.00 -1.85 -1.49 103.07 106.97 3i2k h GLY 260 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3i2k h GLY 260 CO 0.67 -0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.90 3i2k n PHE 261 N -4.29 0.14 -0.22 5.60 3.01 -1.26 -4.64 117.46 115.80 3i2k n PHE 261 Ca 0.17 -0.07 -0.03 0.00 1.01 0.00 0.00 57.45 58.53 3i2k n PHE 261 Cb 0.90 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.44 3i2k n PHE 261 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3i2k h VAL 262 N 2.29 1.04 -0.48 -4.37 3.04 -1.49 0.26 116.25 116.54 3i2k h VAL 262 Ca 0.00 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.42 3i2k h VAL 262 Cb 0.50 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.00 3i2k h VAL 262 CO 0.00 0.13 0.23 1.23 -1.01 0.00 0.00 177.57 178.15 3i2k h GLY 263 N 0.73 0.74 1.69 3.17 0.00 -1.84 -1.70 103.07 105.87 3i2k h GLY 263 Ca 0.27 -0.37 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 3i2k h GLY 263 CO -0.13 0.35 -0.75 0.83 0.00 0.00 0.00 176.54 176.84 3i2k h GLU 264 N 0.63 0.29 -0.08 4.80 4.39 -1.60 -1.80 114.58 121.21 3i2k h GLU 264 Ca 0.16 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3i2k h GLU 264 Cb 0.13 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3i2k h GLU 264 CO -0.02 0.91 0.05 0.77 -1.16 0.00 0.00 179.01 179.57 3i2k h SER 265 N 0.19 0.09 -0.72 1.42 0.02 -0.38 -1.90 113.55 112.28 3i2k h SER 265 Ca -0.03 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3i2k h SER 265 Cb 1.32 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 3i2k h SER 265 CO 0.12 0.07 0.29 -0.07 -1.14 0.00 0.00 176.83 176.10 3i2k h LEU 266 N 0.11 1.01 -1.69 5.07 3.38 -1.26 -2.44 115.31 119.48 3i2k h LEU 266 Ca 0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3i2k h LEU 266 Cb -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3i2k h LEU 266 CO -0.01 0.90 -0.18 0.03 0.09 0.00 0.00 178.44 179.27 3i2k h ARG 267 N 1.07 0.00 -0.36 1.13 3.08 -1.06 -1.99 114.38 116.26 3i2k h ARG 267 Ca 0.25 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.15 3i2k h ARG 267 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3i2k h ARG 267 CO -0.02 0.18 -0.34 1.79 -1.07 0.00 0.00 179.97 180.51 3i2k h THR 268 N 0.00 1.28 -0.21 2.04 1.35 -0.86 -2.05 112.91 114.46 3i2k h THR 268 Ca -0.00 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 3i2k h THR 268 Cb 0.35 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 3i2k h THR 268 CO 0.02 0.50 0.13 0.15 -0.25 0.00 0.00 175.52 176.08 3i2k h PHE 269 N 0.68 0.27 -0.37 4.73 3.57 -1.19 -2.23 116.94 122.40 3i2k h PHE 269 Ca 0.07 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3i2k h PHE 269 Cb 0.90 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 3i2k h PHE 269 CO 0.05 0.18 0.09 0.28 -2.23 0.00 0.00 178.31 176.68 3i2k h VAL 270 N 0.27 1.17 0.00 1.41 2.07 -1.40 -1.51 116.25 118.26 3i2k h VAL 270 Ca 0.08 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 3i2k h VAL 270 Cb -0.02 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3i2k h VAL 270 CO -0.02 0.21 -0.55 0.00 0.02 0.00 0.00 177.57 177.24 3i2k h ALA 271 N 1.58 1.00 0.00 1.67 0.00 -0.93 -3.32 119.26 119.26 3i2k h ALA 271 Ca 0.12 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3i2k h ALA 271 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i2k h ALA 271 CO -0.00 0.69 -0.78 1.33 0.00 0.00 0.00 179.25 180.49 3i2k n VAL 272 N -3.76 0.00 0.24 0.00 0.24 -0.88 -4.18 118.33 109.99 3i2k n VAL 272 Ca -0.01 -0.22 0.08 0.00 -2.04 0.00 0.00 64.34 62.15 3i2k n VAL 272 Cb 0.58 0.85 0.58 0.00 -1.47 0.00 0.00 33.84 34.37 3i2k n VAL 272 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3i2k h LYS 273 N 0.00 0.00 0.00 7.34 2.10 -1.39 -2.79 116.57 121.84 3i2k h LYS 273 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 3i2k h LYS 273 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 3i2k h LYS 273 CO 0.00 0.18 -0.42 -0.44 -2.00 0.00 0.00 179.45 176.77 3i2k h ASP 274 N 0.00 0.00 0.00 7.07 3.32 -1.84 -3.35 116.42 121.63 3i2k h ASP 274 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i2k h ASP 274 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3i2k h ASP 274 CO 0.02 0.42 -0.73 0.59 -1.72 0.00 0.00 179.24 177.83 3i2k n ASN 275 N -3.27 0.72 -3.63 6.45 3.02 -1.07 -5.03 115.26 112.45 3i2k n ASN 275 Ca 0.02 -0.83 -0.08 0.00 -0.03 0.00 0.00 54.58 53.65 3i2k n ASN 275 Cb 0.66 1.02 -0.02 0.00 -0.61 0.00 0.00 39.78 40.83 3i2k n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i2k s ALA 276 N -2.42 -0.87 -0.74 5.41 0.00 -1.12 -4.67 121.76 117.35 3i2k s ALA 276 Ca 0.05 -0.56 -0.26 0.00 0.00 0.00 0.00 51.96 51.20 3i2k s ALA 276 Cb 0.11 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 3i2k s ALA 276 CO 0.61 -0.99 1.69 0.34 0.00 0.00 0.00 175.76 177.42 3i2k s ASP 277 N -2.99 5.59 0.00 0.00 2.15 -1.26 -4.53 116.67 115.64 3i2k s ASP 277 Ca 0.15 -0.23 -0.05 0.00 0.43 0.00 0.00 52.55 52.86 3i2k s ASP 277 Cb -0.05 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.98 3i2k s ASP 277 CO 0.09 -2.22 0.23 0.00 -0.17 0.00 0.00 175.17 173.09 3i2k s ALA 278 N 8.02 3.90 0.10 3.66 0.00 -1.26 -2.40 121.76 133.78 3i2k s ALA 278 Ca 0.58 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.93 3i2k s ALA 278 Cb -0.09 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 3i2k s ALA 278 CO 0.12 0.70 -0.15 1.03 0.00 0.00 0.00 175.76 177.46 3i2k s ARG 279 N -1.88 0.95 -0.03 0.00 1.81 -0.33 -4.91 118.95 114.55 3i2k s ARG 279 Ca 0.28 -1.10 0.01 0.00 -1.72 0.00 0.00 55.73 53.20 3i2k s ARG 279 Cb -0.13 -0.95 0.02 0.00 -0.45 0.00 0.00 34.95 33.44 3i2k s ARG 279 CO 0.18 0.20 -0.04 -1.17 -0.68 0.00 0.00 175.30 173.79 3i2k s LEU 280 N -2.06 1.50 -0.08 2.53 2.96 -0.41 -0.82 118.68 122.29 3i2k s LEU 280 Ca 0.04 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3i2k s LEU 280 Cb -0.08 -0.35 0.02 0.00 0.50 0.00 0.00 46.19 46.28 3i2k s LEU 280 CO 0.03 -0.03 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.26 3i2k s VAL 281 N 0.62 0.95 -0.14 1.68 1.01 -0.32 -0.78 120.40 123.42 3i2k s VAL 281 Ca -0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 3i2k s VAL 281 Cb -0.11 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.36 3i2k s VAL 281 CO -0.00 0.34 -0.07 -0.69 0.00 0.00 0.00 175.10 174.67 3i2k s VAL 282 N 1.26 1.13 0.52 2.92 1.01 -0.47 -0.87 120.40 125.90 3i2k s VAL 282 Ca -0.04 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3i2k s VAL 282 Cb -0.14 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.06 3i2k s VAL 282 CO -0.03 0.26 0.54 -0.83 0.00 0.00 0.00 175.10 175.04 3i2k s GLY 283 N 1.64 2.09 -0.34 4.51 0.00 -0.89 -0.48 107.32 113.86 3i2k s GLY 283 Ca 0.03 -1.70 -0.00 0.00 0.00 0.00 0.00 44.72 43.05 3i2k s GLY 283 CO -0.08 -1.79 1.88 -1.55 0.00 0.00 0.00 173.10 171.56 3i2k n PRO 284 N -1.89 1.88 -3.53 2.90 -0.04 -1.26 -0.59 135.00 132.46 3i2k n PRO 284 Ca 0.06 -1.80 -0.26 0.00 -0.04 0.00 0.00 63.50 61.46 3i2k n PRO 284 Cb 0.63 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 3i2k n PRO 284 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i2k s TRP 285 N -2.06 3.49 0.48 0.54 0.51 -1.26 -4.61 118.94 116.03 3i2k s TRP 285 Ca 0.35 0.39 0.08 0.00 -2.12 0.00 0.00 56.10 54.80 3i2k s TRP 285 Cb 0.28 -1.91 0.02 0.00 -0.81 0.00 0.00 33.47 31.06 3i2k s TRP 285 CO 0.01 0.26 0.51 -1.54 -0.51 0.00 0.00 176.95 175.68 3i2k s SER 286 N -3.48 5.06 0.38 2.95 1.04 -0.71 -1.10 113.70 117.84 3i2k s SER 286 Ca 0.40 -0.84 0.06 0.00 0.48 0.00 0.00 55.95 56.05 3i2k s SER 286 Cb -0.10 -0.15 0.75 0.00 0.10 0.00 0.00 66.02 66.62 3i2k s SER 286 CO 0.31 -0.94 1.98 -0.74 0.98 0.00 0.00 173.24 174.83 3i2k h HIS 287 N 0.70 0.53 -0.08 5.02 2.76 -1.77 -2.81 115.15 119.50 3i2k h HIS 287 Ca -0.37 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.78 3i2k h HIS 287 Cb 1.28 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.07 3i2k h HIS 287 CO 0.58 0.42 0.00 -1.13 -1.30 0.00 0.00 177.93 176.50 3i2k n SER 288 N -4.39 2.14 -3.71 3.26 3.41 -1.26 -4.84 113.62 108.23 3i2k n SER 288 Ca 0.02 -1.57 -0.30 0.00 -0.26 0.00 0.00 58.87 56.76 3i2k n SER 288 Cb 0.14 -0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 63.90 3i2k n SER 288 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3i2k s ASN 289 N -0.96 3.88 -0.29 4.04 2.47 -1.06 -4.94 114.94 118.08 3i2k s ASN 289 Ca 0.15 -1.94 0.10 0.00 0.42 0.00 0.00 52.86 51.60 3i2k s ASN 289 Cb 0.10 -0.89 0.58 0.00 -1.45 0.00 0.00 41.25 39.59 3i2k s ASN 289 CO 0.15 -0.37 1.58 0.18 -3.72 0.00 0.00 177.10 174.92 3i2k n LEU 290 N 4.45 4.81 0.15 3.21 4.32 -1.26 -1.74 117.00 130.94 3i2k n LEU 290 Ca 0.02 -3.47 0.07 0.00 -0.02 0.00 0.00 56.01 52.60 3i2k n LEU 290 Cb 0.40 -0.66 0.06 0.00 -1.62 0.00 0.00 43.42 41.60 3i2k n LEU 290 CO 0.15 1.01 0.44 0.71 -1.22 0.00 0.00 177.39 178.48 3i2k h THR 291 N 1.48 0.36 0.00 -5.08 1.35 -1.92 -0.49 112.91 108.60 3i2k h THR 291 Ca 0.24 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3i2k h THR 291 Cb 1.91 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 70.40 3i2k h THR 291 CO 0.52 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 3i2k n GLY 292 N 1.19 1.32 3.43 5.82 0.00 -1.26 -3.79 105.19 111.90 3i2k n GLY 292 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3i2k n GLY 292 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i2k s ARG 293 N -0.05 3.47 0.21 1.61 0.52 -1.26 -0.86 118.95 122.59 3i2k s ARG 293 Ca 0.00 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 3i2k s ARG 293 Cb 0.00 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 3i2k s ARG 293 CO 0.00 0.25 0.06 -0.80 0.02 0.00 0.00 175.30 174.84 3i2k s ASN 294 N 0.29 1.03 0.24 0.23 0.01 0.03 -4.99 114.94 111.78 3i2k s ASN 294 Ca -0.07 -1.30 -0.04 0.00 -0.71 0.00 0.00 52.86 50.74 3i2k s ASN 294 Cb -0.15 0.18 0.45 0.00 0.41 0.00 0.00 41.25 42.13 3i2k s ASN 294 CO 0.04 -0.69 1.74 0.00 -1.51 0.00 0.00 177.10 176.68 3i2k h ALA 295 N 2.55 1.05 0.00 0.60 0.00 -1.92 -3.00 119.26 118.54 3i2k h ALA 295 Ca -0.37 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i2k h ALA 295 Cb 1.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3i2k h ALA 295 CO 0.60 -0.19 -0.11 -0.25 0.00 0.00 0.00 179.25 179.30 3i2k n ASP 296 N -4.99 1.67 -3.65 0.00 8.00 -1.26 -5.00 116.55 111.32 3i2k n ASP 296 Ca 0.14 -2.59 -0.04 0.00 0.71 0.00 0.00 54.79 53.01 3i2k n ASP 296 Cb 0.40 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 3i2k n ASP 296 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i2k s ARG 297 N -1.84 0.54 -0.11 -1.24 6.06 -1.13 -4.95 118.95 116.26 3i2k s ARG 297 Ca 0.19 1.31 0.03 0.00 -2.50 0.00 0.00 55.73 54.76 3i2k s ARG 297 Cb 0.17 0.62 0.01 0.00 0.06 0.00 0.00 34.95 35.80 3i2k s ARG 297 CO 0.02 -0.20 -0.22 0.15 -2.50 0.00 0.00 175.30 172.54 3i2k s LYS 298 N 2.60 2.94 0.00 5.12 3.01 -1.26 -0.79 119.74 131.35 3i2k s LYS 298 Ca -0.06 -0.83 0.25 0.00 -1.01 0.00 0.00 55.97 54.32 3i2k s LYS 298 Cb -0.11 -2.30 0.50 0.00 -1.01 0.00 0.00 37.83 34.92 3i2k s LYS 298 CO -0.18 0.08 1.41 1.19 0.51 0.00 0.00 175.35 178.37 3i2k n PHE 299 N 3.78 0.00 0.00 3.18 3.72 -0.04 -5.03 117.46 123.08 3i2k n PHE 299 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 3i2k n PHE 299 Cb 0.52 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3i2k n PHE 299 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i2k n GLY 300 N 1.33 1.17 0.27 1.37 0.00 -1.26 -4.43 105.19 103.64 3i2k n GLY 300 Ca 0.13 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.45 3i2k n GLY 300 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i2k h ILE 301 N 0.00 0.86 0.00 -0.61 2.10 -1.94 -1.07 117.51 116.85 3i2k h ILE 301 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 3i2k h ILE 301 Cb 0.00 1.00 -0.00 0.00 -1.09 0.00 0.00 36.82 36.72 3i2k h ILE 301 CO 0.00 0.00 -0.11 0.00 -1.08 0.00 0.00 178.15 176.96 3i2k h ALA 302 N 2.00 1.28 0.00 0.18 0.00 -1.95 -2.55 119.26 118.22 3i2k h ALA 302 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3i2k h ALA 302 Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i2k h ALA 302 CO -0.00 0.14 -0.20 0.00 0.00 0.00 0.00 179.25 179.19 3i2k h ALA 303 N 1.89 0.89 -2.29 0.00 0.00 -1.40 -3.46 119.26 114.89 3i2k h ALA 303 Ca -0.00 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 54.14 3i2k h ALA 303 Cb 0.32 -0.03 0.08 0.00 0.00 0.00 0.00 17.79 18.16 3i2k h ALA 303 CO 0.01 0.25 0.59 2.41 0.00 0.00 0.00 179.25 182.51 3i2k n THR 304 N -3.18 0.96 -1.65 0.00 -1.04 -0.96 -4.42 114.28 103.99 3i2k n THR 304 Ca 0.03 -0.24 -0.57 0.00 -2.04 0.00 0.00 64.05 61.22 3i2k n THR 304 Cb 0.57 -1.44 -0.08 0.00 -1.82 0.00 0.00 70.33 67.56 3i2k n THR 304 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i2k n TYR 305 N 1.85 1.94 -2.62 -1.42 9.36 -0.19 -4.75 117.16 121.33 3i2k n TYR 305 Ca 0.12 0.54 -0.43 0.00 3.32 0.00 0.00 57.90 61.44 3i2k n TYR 305 Cb 0.31 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.57 3i2k n TYR 305 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3i2k n PRO 306 N 5.85 3.36 -0.14 2.98 -0.04 -1.26 -4.80 135.00 140.95 3i2k n PRO 306 Ca 0.30 -3.56 -0.02 0.00 -0.04 0.00 0.00 63.50 60.18 3i2k n PRO 306 Cb 0.12 -3.11 0.20 0.00 -0.04 0.00 0.00 33.50 30.68 3i2k n PRO 306 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3i2k h ILE 307 N 4.51 1.22 0.36 0.52 2.10 -1.90 0.96 117.51 125.29 3i2k h ILE 307 Ca 0.38 -0.72 -0.01 0.00 1.08 0.00 0.00 64.86 65.59 3i2k h ILE 307 Cb 0.79 0.57 -0.00 0.00 -1.09 0.00 0.00 36.82 37.09 3i2k h ILE 307 CO 1.44 0.28 -0.21 -0.61 -1.08 0.00 0.00 178.15 177.97 3i2k h GLN 308 N 0.83 -0.52 -0.76 2.19 4.15 -1.94 -0.62 115.11 118.43 3i2k h GLN 308 Ca 0.19 0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.60 3i2k h GLN 308 Cb 0.22 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 3i2k h GLN 308 CO -0.01 -0.35 0.29 0.93 -1.93 0.00 0.00 178.83 177.76 3i2k h GLU 309 N -0.54 1.13 -0.90 1.69 5.08 -1.86 -1.30 114.58 117.88 3i2k h GLU 309 Ca -0.04 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3i2k h GLU 309 Cb 0.44 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3i2k h GLU 309 CO 0.05 0.93 0.56 0.00 -1.00 0.00 0.00 179.01 179.54 3i2k h ALA 310 N 1.21 1.14 -0.29 3.43 0.00 -0.71 -0.04 119.26 124.00 3i2k h ALA 310 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3i2k h ALA 310 Cb 0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i2k h ALA 310 CO -0.02 0.58 0.13 1.15 0.00 0.00 0.00 179.25 181.09 3i2k h THR 311 N 1.23 1.17 -0.59 0.00 2.02 -0.34 0.06 112.91 116.45 3i2k h THR 311 Ca 0.32 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 67.03 3i2k h THR 311 Cb -0.08 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3i2k h THR 311 CO -0.06 0.17 0.37 0.74 0.37 0.00 0.00 175.52 177.11 3i2k h THR 312 N 0.32 1.10 -0.39 3.16 2.02 -1.03 -0.83 112.91 117.26 3i2k h THR 312 Ca 0.10 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 3i2k h THR 312 Cb 0.15 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3i2k h THR 312 CO -0.01 0.14 -0.02 -0.03 0.37 0.00 0.00 175.52 175.97 3i2k h MET 313 N 0.74 0.70 -0.62 6.66 -1.53 -0.75 -1.57 114.93 118.57 3i2k h MET 313 Ca 0.23 -0.23 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 3i2k h MET 313 Cb -0.01 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 30.95 3i2k h MET 313 CO -0.08 0.80 0.36 0.45 0.14 0.00 0.00 176.91 178.58 3i2k h HIS 314 N 0.52 0.83 -0.76 1.39 3.86 -0.78 -0.31 115.15 119.91 3i2k h HIS 314 Ca 0.11 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 3i2k h HIS 314 Cb 0.50 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3i2k h HIS 314 CO 0.04 0.57 0.28 -0.22 0.86 0.00 0.00 177.93 179.47 3i2k h LYS 315 N 0.84 1.15 -0.57 2.45 3.64 -0.96 0.14 116.57 123.25 3i2k h LYS 315 Ca 0.22 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3i2k h LYS 315 Cb 0.00 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 3i2k h LYS 315 CO -0.04 0.95 0.24 0.00 -2.27 0.00 0.00 179.45 178.33 3i2k h ALA 316 N 1.14 0.74 -0.17 5.00 0.00 -0.95 0.21 119.26 125.23 3i2k h ALA 316 Ca 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i2k h ALA 316 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i2k h ALA 316 CO -0.02 0.35 0.09 0.35 0.00 0.00 0.00 179.25 180.02 3i2k h PHE 317 N 0.79 0.24 -0.21 0.00 3.57 -0.64 -0.68 116.94 120.00 3i2k h PHE 317 Ca 0.19 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 3i2k h PHE 317 Cb 0.19 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3i2k h PHE 317 CO 0.01 0.24 -0.42 0.74 -2.23 0.00 0.00 178.31 176.65 3i2k h PHE 318 N 0.17 0.61 -0.82 0.41 0.04 -0.85 -2.02 116.94 114.48 3i2k h PHE 318 Ca 0.06 -0.18 0.02 0.00 2.80 0.00 0.00 57.97 60.68 3i2k h PHE 318 Cb 0.08 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 3i2k h PHE 318 CO -0.04 0.84 0.54 -0.44 -0.60 0.00 0.00 178.31 178.62 3i2k h ASP 319 N 0.42 0.91 -0.15 2.17 3.32 -0.34 0.37 116.42 123.12 3i2k h ASP 319 Ca 0.03 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3i2k h ASP 319 Cb 0.90 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3i2k h ASP 319 CO 0.08 0.64 0.05 -0.09 -1.72 0.00 0.00 179.24 178.19 3i2k h ARG 320 N 1.07 0.24 0.00 3.56 9.65 -0.85 -2.00 114.38 126.05 3i2k h ARG 320 Ca 0.32 -0.05 -0.23 0.00 -1.10 0.00 0.00 59.98 58.92 3i2k h ARG 320 Cb -0.05 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 3i2k h ARG 320 CO -0.09 0.37 -2.08 0.72 2.80 0.00 0.00 179.97 181.68 3i2k n HIS 321 N -4.84 0.22 -0.08 2.20 8.25 -0.78 -2.52 115.22 117.66 3i2k n HIS 321 Ca -0.05 0.07 -0.08 0.00 -0.26 0.00 0.00 57.72 57.40 3i2k n HIS 321 Cb 0.14 -0.89 -0.16 0.00 1.12 0.00 0.00 29.99 30.21 3i2k n HIS 321 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i2k n LEU 322 N -2.65 0.10 0.00 2.41 4.32 0.13 -4.52 117.00 116.79 3i2k n LEU 322 Ca -0.20 0.05 0.11 0.00 -0.02 0.00 0.00 56.01 55.94 3i2k n LEU 322 Cb 0.94 0.43 -0.14 0.00 -1.62 0.00 0.00 43.42 43.02 3i2k n LEU 322 CO 0.44 0.45 -0.60 0.54 -1.22 0.00 0.00 177.39 177.00 3i2k n ARG 323 N -2.75 0.60 -1.57 3.23 1.74 -1.05 -4.83 116.66 112.03 3i2k n ARG 323 Ca -0.29 -0.14 -0.03 0.00 -0.77 0.00 0.00 57.85 56.61 3i2k n ARG 323 Cb 1.10 -1.56 -0.01 0.00 -1.02 0.00 0.00 32.46 30.98 3i2k n ARG 323 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i2k n GLY 324 N 1.27 0.43 3.53 -0.13 0.00 -0.96 -4.99 105.19 104.34 3i2k n GLY 324 Ca -0.03 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3i2k n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2k s GLU 325 N -3.21 3.23 0.51 1.61 2.02 -0.79 -4.89 118.70 117.19 3i2k s GLU 325 Ca 0.00 -0.53 0.22 0.00 0.02 0.00 0.00 54.97 54.67 3i2k s GLU 325 Cb 0.00 -4.36 1.34 0.00 0.10 0.00 0.00 34.13 31.21 3i2k s GLU 325 CO 0.00 -2.07 2.09 1.79 0.02 0.00 0.00 175.26 177.10 3i2k h THR 326 N 6.10 0.83 -0.62 3.63 1.35 -1.88 -1.61 112.91 120.71 3i2k h THR 326 Ca -0.21 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3i2k h THR 326 Cb 1.05 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3i2k h THR 326 CO 1.27 0.10 0.00 -0.67 -0.25 0.00 0.00 175.52 175.97 3i2k n ASP 327 N -4.06 4.17 0.26 5.36 2.03 -1.26 -4.62 116.55 118.42 3i2k n ASP 327 Ca -0.02 -2.24 0.09 0.00 0.52 0.00 0.00 54.79 53.13 3i2k n ASP 327 Cb 0.19 -0.50 0.65 0.00 -0.72 0.00 0.00 41.12 40.74 3i2k n ASP 327 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i2k h ALA 328 N 3.76 1.77 -0.59 -1.67 0.00 -1.60 -1.80 119.26 119.14 3i2k h ALA 328 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i2k h ALA 328 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i2k h ALA 328 CO 0.11 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.72 3i2k n LEU 329 N -4.29 5.13 -4.67 0.00 4.77 -1.26 -4.80 117.00 111.88 3i2k n LEU 329 Ca -0.03 -2.60 -0.46 0.00 -0.03 0.00 0.00 56.01 52.89 3i2k n LEU 329 Cb 0.15 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.56 3i2k n LEU 329 CO 0.33 0.69 1.20 0.00 -1.33 0.00 0.00 177.39 178.28 3i2k n ALA 330 N 0.82 1.25 -0.63 -1.18 0.00 -0.68 -1.65 120.51 118.43 3i2k n ALA 330 Ca 0.26 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.14 3i2k n ALA 330 Cb 1.03 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3i2k n ALA 330 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2k n GLY 331 N 3.44 1.72 3.69 0.00 0.00 -1.26 -5.01 105.19 107.76 3i2k n GLY 331 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3i2k n GLY 331 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2k s VAL 332 N -3.62 5.00 0.70 1.61 1.01 -0.66 -5.05 120.40 119.40 3i2k s VAL 332 Ca 0.00 1.38 -0.13 0.00 0.00 0.00 0.00 61.98 63.23 3i2k s VAL 332 Cb 0.00 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.38 3i2k s VAL 332 CO 0.00 0.15 1.09 -2.16 0.00 0.00 0.00 175.10 174.18 3i2k s PRO 333 N 1.49 2.69 0.09 2.72 0.04 -1.26 -4.96 135.00 135.82 3i2k s PRO 333 Ca 0.34 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.42 3i2k s PRO 333 Cb -0.17 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 3i2k s PRO 333 CO 0.14 -1.31 1.49 -0.22 0.04 0.00 0.00 177.00 177.13 3i2k h LYS 334 N -0.50 0.58 -4.67 4.56 1.63 -1.88 -3.45 116.57 112.84 3i2k h LYS 334 Ca -0.45 -0.23 -0.43 0.00 -0.85 0.00 0.00 60.65 58.70 3i2k h LYS 334 Cb 1.23 -0.03 -0.30 0.00 -0.60 0.00 0.00 32.23 32.53 3i2k h LYS 334 CO 0.54 0.78 -0.79 0.08 -3.45 0.00 0.00 179.45 176.61 3i2k s VAL 335 N -4.75 0.80 -0.12 2.00 1.01 -0.94 -1.28 120.40 117.12 3i2k s VAL 335 Ca -0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 3i2k s VAL 335 Cb 0.08 -0.70 0.04 0.00 0.00 0.00 0.00 36.38 35.80 3i2k s VAL 335 CO 0.78 0.24 0.03 -0.60 0.00 0.00 0.00 175.10 175.56 3i2k s ARG 336 N 0.08 0.45 -0.03 2.72 3.52 0.04 -0.66 118.95 125.07 3i2k s ARG 336 Ca -0.01 -0.05 0.06 0.00 -0.13 0.00 0.00 55.73 55.59 3i2k s ARG 336 Cb -0.07 -1.40 -0.02 0.00 -1.56 0.00 0.00 34.95 31.89 3i2k s ARG 336 CO 0.00 -0.47 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.33 3i2k s LEU 337 N 1.99 2.48 -0.48 -0.88 1.43 -0.28 -1.37 118.68 121.56 3i2k s LEU 337 Ca 0.03 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.57 3i2k s LEU 337 Cb -0.14 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.63 3i2k s LEU 337 CO -0.06 0.33 0.86 0.12 0.23 0.00 0.00 176.35 177.82 3i2k s PHE 338 N -0.71 2.93 -0.42 0.29 5.36 0.37 -0.51 117.98 125.27 3i2k s PHE 338 Ca 0.11 0.18 -0.24 0.00 -0.96 0.00 0.00 56.93 56.02 3i2k s PHE 338 Cb -0.10 -3.85 0.02 0.00 -0.34 0.00 0.00 43.02 38.74 3i2k s PHE 338 CO 0.01 -1.11 0.82 0.08 -1.46 0.00 0.00 175.22 173.56 3i2k s VAL 339 N 3.57 4.63 0.74 3.12 1.01 0.14 -4.76 120.40 128.85 3i2k s VAL 339 Ca 0.32 0.67 -0.11 0.00 0.00 0.00 0.00 61.98 62.86 3i2k s VAL 339 Cb -0.12 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 31.98 3i2k s VAL 339 CO 0.23 -0.65 1.07 -0.04 0.00 0.00 0.00 175.10 175.71 3i2k s MET 340 N 3.35 2.60 0.00 2.72 1.00 -0.38 -0.79 119.30 127.80 3i2k s MET 340 Ca 0.32 0.91 0.00 0.00 0.00 0.00 0.00 55.69 56.92 3i2k s MET 340 Cb -0.12 -1.96 0.00 0.00 0.00 0.00 0.00 34.83 32.76 3i2k s MET 340 CO 0.22 -1.33 0.00 0.41 0.00 0.00 0.00 175.02 174.32 3i2k n GLY 341 N -1.88 2.02 0.26 -0.03 0.00 -1.26 -0.51 105.19 103.78 3i2k n GLY 341 Ca 0.08 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3i2k n GLY 341 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i2k h ILE 342 N 0.00 0.55 -5.89 -0.61 3.07 -1.76 -3.48 117.51 109.39 3i2k h ILE 342 Ca 0.00 -0.63 -0.36 0.00 1.55 0.00 0.00 64.86 65.42 3i2k h ILE 342 Cb 0.00 1.42 0.12 0.00 -0.27 0.00 0.00 36.82 38.08 3i2k h ILE 342 CO 0.00 0.13 -0.86 0.47 -1.05 0.00 0.00 178.15 176.84 3i2k n ASP 343 N -3.58 -4.03 -3.94 2.16 8.00 0.03 -5.01 116.55 110.18 3i2k n ASP 343 Ca -0.01 -0.82 -0.10 0.00 0.71 0.00 0.00 54.79 54.56 3i2k n ASP 343 Cb 0.27 -4.33 -0.12 0.00 -0.02 0.00 0.00 41.12 36.92 3i2k n ASP 343 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i2k s GLU 344 N -5.43 0.19 0.34 -1.24 2.02 -0.93 -4.95 118.70 108.70 3i2k s GLU 344 Ca 0.27 -0.36 -0.27 0.00 0.02 0.00 0.00 54.97 54.62 3i2k s GLU 344 Cb -0.06 0.06 -0.09 0.00 0.10 0.00 0.00 34.13 34.13 3i2k s GLU 344 CO 0.80 -0.03 1.14 -1.58 0.02 0.00 0.00 175.26 175.61 3i2k s TRP 345 N -0.86 3.31 -0.09 1.61 0.52 -1.26 -0.68 118.94 121.49 3i2k s TRP 345 Ca -0.09 1.61 -0.06 0.00 0.02 0.00 0.00 56.10 57.57 3i2k s TRP 345 Cb -0.06 -3.35 0.03 0.00 -1.15 0.00 0.00 33.47 28.94 3i2k s TRP 345 CO -0.01 -0.97 0.22 0.50 0.02 0.00 0.00 176.95 176.71 3i2k s ARG 346 N -1.89 0.22 0.22 4.98 3.52 0.33 -4.92 118.95 121.40 3i2k s ARG 346 Ca 0.51 0.38 -0.17 0.00 -0.13 0.00 0.00 55.73 56.31 3i2k s ARG 346 Cb -0.31 0.02 -0.08 0.00 -1.56 0.00 0.00 34.95 33.01 3i2k s ARG 346 CO 0.40 -0.08 0.68 -0.51 -0.81 0.00 0.00 175.30 174.97 3i2k s ASP 347 N 0.57 6.95 0.15 -2.12 1.01 -1.26 -1.13 116.67 120.84 3i2k s ASP 347 Ca -0.04 1.30 0.01 0.00 0.71 0.00 0.00 52.55 54.53 3i2k s ASP 347 Cb -0.05 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 3i2k s ASP 347 CO -0.03 0.01 0.02 -1.61 0.21 0.00 0.00 175.17 173.77 3i2k s GLU 348 N -2.14 1.01 0.01 8.23 0.41 0.16 -4.97 118.70 121.41 3i2k s GLU 348 Ca 0.43 -1.48 0.22 0.00 -0.41 0.00 0.00 54.97 53.74 3i2k s GLU 348 Cb -0.15 -0.04 -0.00 0.00 -1.78 0.00 0.00 34.13 32.15 3i2k s GLU 348 CO 0.20 -0.18 1.01 0.25 -0.49 0.00 0.00 175.26 176.06 3i2k n THR 349 N -0.16 0.05 -3.53 3.63 -2.24 -1.26 -2.22 114.28 108.55 3i2k n THR 349 Ca -0.07 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 3i2k n THR 349 Cb 0.63 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 3i2k n THR 349 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i2k s ASP 350 N -3.40 -0.41 -0.05 3.42 -1.08 -1.26 -4.74 116.67 109.15 3i2k s ASP 350 Ca 0.06 -0.10 -0.00 0.00 -0.52 0.00 0.00 52.55 51.99 3i2k s ASP 350 Cb 0.16 0.50 0.03 0.00 -1.46 0.00 0.00 42.92 42.14 3i2k s ASP 350 CO 0.82 -0.84 -0.01 0.86 0.52 0.00 0.00 175.17 176.52 3i2k s TRP 351 N -3.43 0.57 0.87 -5.34 -0.11 -1.26 -3.65 118.94 106.59 3i2k s TRP 351 Ca 0.05 -0.12 -0.13 0.00 1.22 0.00 0.00 56.10 57.12 3i2k s TRP 351 Cb -0.01 -0.66 0.05 0.00 -1.50 0.00 0.00 33.47 31.35 3i2k s TRP 351 CO -0.08 -0.24 0.77 -2.30 -4.62 0.00 0.00 176.95 170.49 3i2k n PRO 352 N 4.64 -0.09 -1.97 5.86 -0.02 -1.26 -4.73 135.00 137.44 3i2k n PRO 352 Ca -0.16 0.04 -0.39 0.00 -2.02 0.00 0.00 63.50 60.96 3i2k n PRO 352 Cb 0.50 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3i2k n PRO 352 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i2k s LEU 353 N -3.12 4.15 0.26 2.45 1.02 -1.24 -4.91 118.68 117.30 3i2k s LEU 353 Ca 0.65 2.72 -0.01 0.00 0.02 0.00 0.00 54.13 57.51 3i2k s LEU 353 Cb -0.26 -3.95 0.55 0.00 0.02 0.00 0.00 46.19 42.55 3i2k s LEU 353 CO 0.60 -0.99 1.75 -0.65 0.02 0.00 0.00 176.35 177.07 3i2k h PRO 354 N 2.48 0.54 -0.71 1.29 0.11 -1.98 -2.97 132.00 130.75 3i2k h PRO 354 Ca -0.50 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.40 3i2k h PRO 354 Cb 1.25 -0.12 -0.11 0.00 0.11 0.00 0.00 31.00 32.14 3i2k h PRO 354 CO 0.62 0.36 0.23 -0.25 -0.21 0.00 0.00 178.00 178.74 3i2k n ASP 355 N -4.92 5.01 -4.69 -2.05 8.00 -1.26 -4.98 116.55 111.67 3i2k n ASP 355 Ca 0.17 -3.18 -0.42 0.00 0.71 0.00 0.00 54.79 52.07 3i2k n ASP 355 Cb 0.46 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 3i2k n ASP 355 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i2k s THR 356 N -2.96 3.42 -0.47 -3.53 2.01 -1.12 -4.79 115.64 108.19 3i2k s THR 356 Ca 0.55 0.82 -0.15 0.00 0.31 0.00 0.00 61.69 63.23 3i2k s THR 356 Cb 0.44 -3.53 0.08 0.00 0.01 0.00 0.00 72.50 69.50 3i2k s THR 356 CO 0.14 -0.01 0.39 0.00 -0.69 0.00 0.00 174.62 174.45 3i2k s ALA 357 N 2.58 3.54 -0.64 7.40 0.00 -0.41 -4.91 121.76 129.32 3i2k s ALA 357 Ca 0.68 -2.14 -0.27 0.00 0.00 0.00 0.00 51.96 50.23 3i2k s ALA 357 Cb -0.35 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 19.75 3i2k s ALA 357 CO 0.29 -1.74 1.36 0.71 0.00 0.00 0.00 175.76 176.38 3i2k s TYR 358 N 1.62 2.29 -0.19 0.00 2.02 -1.26 -0.96 117.35 120.86 3i2k s TYR 358 Ca 0.04 0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 57.00 3i2k s TYR 358 Cb -0.24 -4.49 0.00 0.00 -0.40 0.00 0.00 41.96 36.83 3i2k s TYR 358 CO 0.06 -1.97 -0.11 0.99 -1.57 0.00 0.00 175.55 172.94 3i2k s THR 359 N 5.99 2.85 0.18 -0.71 2.01 0.07 -4.88 115.64 121.15 3i2k s THR 359 Ca 0.45 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.47 3i2k s THR 359 Cb -0.09 -2.25 -0.08 0.00 0.01 0.00 0.00 72.50 70.08 3i2k s THR 359 CO 0.21 0.48 1.29 -2.84 -0.69 0.00 0.00 174.62 173.06 3i2k s PRO 360 N 1.26 4.40 -0.27 4.92 0.02 -1.26 -1.09 135.00 142.97 3i2k s PRO 360 Ca 0.03 2.01 -0.02 0.00 0.02 0.00 0.00 61.00 63.04 3i2k s PRO 360 Cb -0.14 -3.22 0.04 0.00 0.02 0.00 0.00 34.50 31.20 3i2k s PRO 360 CO -0.05 -0.24 -0.03 -0.06 -0.33 0.00 0.00 177.00 176.29 3i2k s PHE 361 N 0.23 3.17 0.17 6.54 0.40 0.80 -4.41 117.98 124.87 3i2k s PHE 361 Ca 0.57 -1.70 -0.23 0.00 -0.60 0.00 0.00 56.93 54.96 3i2k s PHE 361 Cb -0.35 -2.08 -0.08 0.00 0.51 0.00 0.00 43.02 41.01 3i2k s PHE 361 CO 0.37 -0.76 0.74 0.71 0.70 0.00 0.00 175.22 176.97 3i2k s TYR 362 N 1.29 3.82 0.17 0.36 2.02 0.14 -1.21 117.35 123.94 3i2k s TYR 362 Ca -0.03 1.52 -0.30 0.00 -0.37 0.00 0.00 57.07 57.90 3i2k s TYR 362 Cb -0.18 -2.70 -0.08 0.00 -0.40 0.00 0.00 41.96 38.61 3i2k s TYR 362 CO -0.03 0.47 1.14 -0.51 -1.57 0.00 0.00 175.55 175.05 3i2k s LEU 363 N -1.40 4.46 0.00 -1.29 1.43 -0.58 -2.19 118.68 119.11 3i2k s LEU 363 Ca 0.37 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 3i2k s LEU 363 Cb -0.21 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.41 3i2k s LEU 363 CO 0.24 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.13 3i2k n GLY 364 N 2.18 2.72 0.00 -3.19 0.00 -0.24 -4.59 105.19 102.08 3i2k n GLY 364 Ca 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3i2k n GLY 364 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2k n GLY 365 N 0.00 3.80 3.75 -0.02 0.00 -1.26 -0.66 105.19 110.80 3i2k n GLY 365 Ca 0.00 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 3i2k n GLY 365 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2k s SER 366 N 0.00 7.58 0.00 1.61 0.01 -1.25 -4.90 113.70 116.75 3i2k s SER 366 Ca 0.00 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.13 3i2k s SER 366 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3i2k s SER 366 CO 0.00 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.41 3i2k n GLY 367 N 1.60 0.44 3.53 3.44 0.00 -1.26 -4.16 105.19 108.77 3i2k n GLY 367 Ca -0.02 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 3i2k n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2k s ALA 368 N -2.00 2.84 -2.35 4.61 0.00 -1.26 -4.92 121.76 118.68 3i2k s ALA 368 Ca 0.00 -0.93 0.25 0.00 0.00 0.00 0.00 51.96 51.28 3i2k s ALA 368 Cb 0.00 -1.12 0.95 0.00 0.00 0.00 0.00 23.12 22.95 3i2k s ALA 368 CO 0.00 0.55 1.68 0.00 0.00 0.00 0.00 175.76 177.99 3i2k n ALA 369 N 2.30 2.56 -1.79 0.00 0.00 -1.26 -1.10 120.51 121.22 3i2k n ALA 369 Ca -0.18 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.39 3i2k n ALA 369 Cb 0.53 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3i2k n ALA 369 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3i2k s ASN 370 N -1.78 6.43 0.26 0.00 -0.87 -1.26 -1.22 114.94 116.49 3i2k s ASN 370 Ca 0.35 2.82 0.00 0.00 -1.57 0.00 0.00 52.86 54.47 3i2k s ASN 370 Cb 0.19 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 3i2k s ASN 370 CO 0.30 -0.92 0.00 0.35 -2.57 0.00 0.00 177.10 174.26 3i2k n THR 371 N 3.57 -0.31 0.41 1.60 -2.24 0.24 -3.42 114.28 114.13 3i2k n THR 371 Ca 0.14 0.37 0.12 0.00 -2.27 0.00 0.00 64.05 62.40 3i2k n THR 371 Cb 0.36 -0.58 0.48 0.00 -2.10 0.00 0.00 70.33 68.49 3i2k n THR 371 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i2k n SER 372 N -3.10 0.64 -1.32 3.42 3.41 -0.35 -2.06 113.62 114.26 3i2k n SER 372 Ca -0.04 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3i2k n SER 372 Cb 0.30 -0.79 0.31 0.00 -0.26 0.00 0.00 64.21 63.77 3i2k n SER 372 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i2k n THR 373 N -2.20 0.94 -0.73 6.66 -2.24 -1.26 -4.94 114.28 110.51 3i2k n THR 373 Ca 0.02 -0.97 -0.00 0.00 -2.27 0.00 0.00 64.05 60.83 3i2k n THR 373 Cb 0.24 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3i2k n THR 373 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2k n GLY 374 N 1.61 -1.85 1.27 3.38 0.00 -0.87 -5.00 105.19 103.73 3i2k n GLY 374 Ca 0.24 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.81 3i2k n GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2k n GLY 375 N 3.59 2.61 3.73 -0.02 0.00 -0.26 -4.95 105.19 109.88 3i2k n GLY 375 Ca 0.00 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3i2k n GLY 375 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i2k s GLY 376 N -1.00 1.62 0.23 -0.02 0.00 -1.23 -3.94 107.32 102.98 3i2k s GLY 376 Ca 0.45 1.47 0.10 0.00 0.00 0.00 0.00 44.72 46.74 3i2k s GLY 376 CO 0.29 2.66 -0.19 -0.51 0.00 0.00 0.00 173.10 175.35 3i2k s THR 377 N 0.85 2.18 -0.03 0.90 -4.23 0.17 -2.10 115.64 113.37 3i2k s THR 377 Ca 0.69 -2.23 0.07 0.00 -1.18 0.00 0.00 61.69 59.04 3i2k s THR 377 Cb -0.46 -2.14 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 3i2k s THR 377 CO 0.35 -0.39 -0.24 -0.76 -0.54 0.00 0.00 174.62 173.04 3i2k s LEU 378 N -3.21 2.04 -0.06 4.79 1.43 -0.35 -1.08 118.68 122.24 3i2k s LEU 378 Ca 0.25 -0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 3i2k s LEU 378 Cb -0.05 -1.26 0.04 0.00 0.03 0.00 0.00 46.19 44.96 3i2k s LEU 378 CO 0.11 0.26 0.45 -0.55 0.23 0.00 0.00 176.35 176.85 3i2k s SER 379 N -0.36 -0.39 0.00 2.29 0.15 -0.93 -4.19 113.70 110.27 3i2k s SER 379 Ca 0.03 0.45 0.20 0.00 0.70 0.00 0.00 55.95 57.33 3i2k s SER 379 Cb -0.11 0.52 0.88 0.00 -1.71 0.00 0.00 66.02 65.59 3i2k s SER 379 CO 0.01 -0.44 1.64 0.35 1.20 0.00 0.00 173.24 176.00 3i2k n THR 380 N 1.49 0.59 -3.55 6.45 -2.24 -1.26 0.26 114.28 116.01 3i2k n THR 380 Ca -0.19 0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.36 3i2k n THR 380 Cb 0.56 -0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 3i2k n THR 380 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i2k s SER 381 N -2.95 6.75 0.44 3.42 0.01 -1.26 -4.83 113.70 115.28 3i2k s SER 381 Ca 0.11 0.90 -0.26 0.00 1.31 0.00 0.00 55.95 58.01 3i2k s SER 381 Cb 0.13 -2.22 -0.08 0.00 0.21 0.00 0.00 66.02 64.05 3i2k s SER 381 CO 0.36 0.31 1.40 -0.63 0.41 0.00 0.00 173.24 175.10 3i2k s ILE 382 N -1.12 2.18 0.33 1.44 1.01 -1.26 -4.61 121.20 119.18 3i2k s ILE 382 Ca 0.24 0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.77 3i2k s ILE 382 Cb -0.16 -3.10 -0.10 0.00 0.01 0.00 0.00 42.46 39.11 3i2k s ILE 382 CO 0.13 0.02 1.26 -0.55 0.00 0.00 0.00 174.94 175.81 3i2k s SER 383 N -0.53 6.81 0.14 3.58 0.15 -1.26 -4.96 113.70 117.63 3i2k s SER 383 Ca 0.60 2.60 0.10 0.00 0.70 0.00 0.00 55.95 59.95 3i2k s SER 383 Cb -0.43 -2.64 -0.14 0.00 -1.71 0.00 0.00 66.02 61.10 3i2k s SER 383 CO 0.55 -0.50 1.25 1.23 1.20 0.00 0.00 173.24 176.97 3i2k h GLY 384 N 3.37 0.00 -5.41 9.45 0.00 -1.93 -2.86 103.07 105.69 3i2k h GLY 384 Ca -0.49 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.21 3i2k h GLY 384 CO 0.65 0.00 -0.86 -0.51 0.00 0.00 0.00 176.54 175.82 3i2k s THR 385 N -2.78 1.80 0.26 4.70 -4.23 -1.26 -4.65 115.64 109.48 3i2k s THR 385 Ca 0.01 -0.88 -0.31 0.00 -1.18 0.00 0.00 61.69 59.34 3i2k s THR 385 Cb 0.09 -1.56 -0.11 0.00 1.34 0.00 0.00 72.50 72.25 3i2k s THR 385 CO 0.80 0.50 1.63 -1.61 -0.54 0.00 0.00 174.62 175.40 3i2k s GLU 386 N 0.34 4.13 0.30 3.99 0.41 -1.26 -4.44 118.70 122.18 3i2k s GLU 386 Ca -0.15 2.56 -0.12 0.00 -0.41 0.00 0.00 54.97 56.85 3i2k s GLU 386 Cb -0.17 -3.05 0.01 0.00 -1.78 0.00 0.00 34.13 29.15 3i2k s GLU 386 CO 0.07 -0.66 0.58 0.45 -0.49 0.00 0.00 175.26 175.21 3i2k s SER 387 N 0.75 0.14 -0.13 -0.19 0.15 0.42 -4.99 113.70 109.85 3i2k s SER 387 Ca 0.67 -1.06 -0.13 0.00 0.70 0.00 0.00 55.95 56.13 3i2k s SER 387 Cb -0.48 0.68 0.04 0.00 -1.71 0.00 0.00 66.02 64.55 3i2k s SER 387 CO 0.42 -1.33 0.37 0.00 1.20 0.00 0.00 173.24 173.90 3i2k s ALA 388 N -3.40 -0.91 -0.12 5.45 0.00 -1.26 -1.22 121.76 120.29 3i2k s ALA 388 Ca 0.21 1.00 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 3i2k s ALA 388 Cb -0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3i2k s ALA 388 CO 0.12 -0.18 0.02 -0.51 0.00 0.00 0.00 175.76 175.21 3i2k s ASP 389 N 0.07 5.35 0.02 0.00 1.01 -0.17 -4.95 116.67 118.00 3i2k s ASP 389 Ca -0.01 0.11 0.06 0.00 0.71 0.00 0.00 52.55 53.42 3i2k s ASP 389 Cb -0.03 -1.68 -0.02 0.00 1.01 0.00 0.00 42.92 42.20 3i2k s ASP 389 CO 0.01 0.30 -0.18 -0.89 0.21 0.00 0.00 175.17 174.62 3i2k s THR 390 N -0.42 1.43 0.15 -1.27 2.01 -1.26 -0.72 115.64 115.56 3i2k s THR 390 Ca 0.08 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 3i2k s THR 390 Cb -0.12 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.17 3i2k s THR 390 CO 0.02 0.26 0.36 -0.72 -0.69 0.00 0.00 174.62 173.85 3i2k s TYR 391 N -0.62 0.10 -0.25 4.92 -0.85 -0.43 -4.96 117.35 115.26 3i2k s TYR 391 Ca 0.06 -0.46 -0.13 0.00 -0.52 0.00 0.00 57.07 56.02 3i2k s TYR 391 Cb -0.08 0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 3i2k s TYR 391 CO 0.01 -0.74 0.29 -1.17 -1.52 0.00 0.00 175.55 172.41 3i2k s LEU 392 N -2.89 4.08 -0.34 -3.49 2.96 -1.26 -0.88 118.68 116.85 3i2k s LEU 392 Ca 0.10 0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 54.11 3i2k s LEU 392 Cb 0.02 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 3i2k s LEU 392 CO -0.05 -0.07 0.23 -0.47 -1.32 0.00 0.00 176.35 174.67 3i2k s TYR 393 N 1.60 3.22 -0.29 5.38 5.04 0.46 -4.71 117.35 128.05 3i2k s TYR 393 Ca 0.12 -0.25 -0.05 0.00 -2.44 0.00 0.00 57.07 54.46 3i2k s TYR 393 Cb -0.15 -2.47 0.02 0.00 0.35 0.00 0.00 41.96 39.72 3i2k s TYR 393 CO 0.08 -0.37 0.03 0.34 -1.34 0.00 0.00 175.55 174.29 3i2k s ASP 394 N 1.71 4.88 0.60 4.32 -1.08 -1.26 -1.15 116.67 124.68 3i2k s ASP 394 Ca 0.06 -0.88 0.29 0.00 -0.52 0.00 0.00 52.55 51.51 3i2k s ASP 394 Cb -0.17 -1.79 1.64 0.00 -1.46 0.00 0.00 42.92 41.13 3i2k s ASP 394 CO 0.10 -0.20 2.05 -0.65 0.52 0.00 0.00 175.17 176.99 3i2k h PRO 395 N 8.14 0.00 0.00 4.34 0.11 -1.83 0.85 132.00 143.61 3i2k h PRO 395 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3i2k h PRO 395 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i2k h PRO 395 CO 0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 3i2k h ALA 396 N 1.67 1.00 -2.03 -0.75 0.00 -1.94 -3.33 119.26 113.89 3i2k h ALA 396 Ca 0.10 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.45 3i2k h ALA 396 Cb 0.64 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.04 3i2k h ALA 396 CO -0.00 0.00 -1.07 -3.47 0.00 0.00 0.00 179.25 174.70 3i2k n ASP 397 N -2.35 0.36 -4.80 0.00 2.03 0.29 -5.12 116.55 106.95 3i2k n ASP 397 Ca 0.02 -2.72 -0.31 0.00 0.52 0.00 0.00 54.79 52.30 3i2k n ASP 397 Cb 0.25 -0.64 0.07 0.00 -0.72 0.00 0.00 41.12 40.08 3i2k n ASP 397 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3i2k s PRO 398 N -1.21 2.53 0.04 -0.67 0.04 -1.22 -4.57 135.00 129.94 3i2k s PRO 398 Ca 0.35 0.88 -0.31 0.00 0.04 0.00 0.00 61.00 61.97 3i2k s PRO 398 Cb 0.16 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.69 3i2k s PRO 398 CO -0.11 -1.37 1.47 0.08 0.04 0.00 0.00 177.00 177.11 3i2k s VAL 399 N -3.05 3.43 0.39 -0.36 1.01 -1.26 -4.90 120.40 115.65 3i2k s VAL 399 Ca 0.59 0.89 -0.26 0.00 0.00 0.00 0.00 61.98 63.21 3i2k s VAL 399 Cb -0.15 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 3i2k s VAL 399 CO 0.55 0.01 1.21 -2.16 0.00 0.00 0.00 175.10 174.72 3i2k s PRO 400 N 2.17 4.07 0.29 2.72 0.04 -1.26 -1.20 135.00 141.83 3i2k s PRO 400 Ca 0.67 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 63.36 3i2k s PRO 400 Cb -0.35 -2.74 -0.10 0.00 0.04 0.00 0.00 34.50 31.35 3i2k s PRO 400 CO 0.29 -0.34 1.24 -1.12 0.04 0.00 0.00 177.00 177.11 3i2k s SER 401 N -0.97 6.96 -0.30 6.66 0.01 0.09 -4.69 113.70 121.46 3i2k s SER 401 Ca 0.56 2.51 -0.01 0.00 1.31 0.00 0.00 55.95 60.32 3i2k s SER 401 Cb -0.33 -2.64 0.13 0.00 0.21 0.00 0.00 66.02 63.39 3i2k s SER 401 CO 0.42 -0.40 0.26 -0.22 0.41 0.00 0.00 173.24 173.71 3i2k s LEU 402 N -1.41 0.03 0.00 2.44 2.96 -1.26 -4.90 118.68 116.53 3i2k s LEU 402 Ca 0.49 -1.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 3i2k s LEU 402 Cb -0.37 0.26 0.00 0.00 0.50 0.00 0.00 46.19 46.59 3i2k s LEU 402 CO 0.47 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.72 3i2k n GLY 403 N 5.12 1.38 7.00 7.98 0.00 -1.25 -4.57 105.19 120.85 3i2k n GLY 403 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3i2k n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2k n GLY 404 N 0.00 1.91 1.73 -0.02 0.00 0.26 -3.58 105.19 105.49 3i2k n GLY 404 Ca 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 3i2k n GLY 404 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i2k n THR 405 N 0.00 2.90 -1.62 2.61 -2.24 -1.26 -4.41 114.28 110.26 3i2k n THR 405 Ca 0.00 -2.35 -0.43 0.00 -2.27 0.00 0.00 64.05 59.01 3i2k n THR 405 Cb 0.00 -0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 67.82 3i2k n THR 405 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i2k n LEU 406 N -1.14 2.43 -0.10 3.22 4.77 -1.23 -3.77 117.00 121.18 3i2k n LEU 406 Ca 0.47 1.12 -0.19 0.00 -0.03 0.00 0.00 56.01 57.38 3i2k n LEU 406 Cb 1.36 -1.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3i2k n LEU 406 CO 0.41 -1.30 -1.05 0.18 -1.33 0.00 0.00 177.39 174.30 3i2k n LEU 407 N 0.83 1.69 -0.03 2.23 4.77 -1.26 -4.53 117.00 120.70 3i2k n LEU 407 Ca 0.09 0.29 -0.03 0.00 -0.03 0.00 0.00 56.01 56.32 3i2k n LEU 407 Cb 0.36 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 3i2k n LEU 407 CO 0.59 0.20 -0.68 0.49 -1.33 0.00 0.00 177.39 176.66 3i2k n PHE 408 N -4.13 0.00 -2.76 -1.77 3.72 -1.26 -4.41 117.46 106.85 3i2k n PHE 408 Ca -0.34 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.63 3i2k n PHE 408 Cb 0.69 -0.24 -0.04 0.00 -0.94 0.00 0.00 39.48 38.96 3i2k n PHE 408 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3i2k s HIS 409 N -2.12 2.90 -1.36 1.38 2.46 -1.26 -4.29 115.29 113.01 3i2k s HIS 409 Ca -0.06 0.49 -0.18 0.00 0.47 0.00 0.00 55.06 55.78 3i2k s HIS 409 Cb 0.02 -4.07 0.02 0.00 -0.13 0.00 0.00 32.58 28.42 3i2k s HIS 409 CO 0.17 -1.13 0.41 0.09 -2.47 0.00 0.00 174.74 171.80 3i2k n ASN 410 N 7.32 -1.94 -0.78 9.88 3.02 -1.26 -4.82 115.26 126.68 3i2k n ASN 410 Ca 0.08 -1.26 0.05 0.00 -0.03 0.00 0.00 54.58 53.42 3i2k n ASN 410 Cb 0.49 -1.83 0.17 0.00 -0.61 0.00 0.00 39.78 37.99 3i2k n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i2k n GLY 411 N -2.26 1.02 0.69 7.41 0.00 -1.26 -4.14 105.19 106.64 3i2k n GLY 411 Ca -0.21 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.45 3i2k n GLY 411 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i2k n ASP 412 N 0.54 2.85 -2.80 1.61 5.75 -1.26 -4.33 116.55 118.90 3i2k n ASP 412 Ca 0.13 -3.33 -0.11 0.00 -0.01 0.00 0.00 54.79 51.47 3i2k n ASP 412 Cb 0.39 -0.53 0.04 0.00 -1.03 0.00 0.00 41.12 39.99 3i2k n ASP 412 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3i2k n ASN 413 N -1.00 0.13 -0.11 -1.12 5.15 -1.26 -4.76 115.26 112.28 3i2k n ASN 413 Ca 0.22 -2.84 -0.09 0.00 -0.60 0.00 0.00 54.58 51.27 3i2k n ASN 413 Cb 0.83 0.08 -0.04 0.00 -0.53 0.00 0.00 39.78 40.12 3i2k n ASN 413 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3i2k h GLY 414 N 2.78 -0.49 -5.31 8.20 0.00 -1.84 -2.79 103.07 103.64 3i2k h GLY 414 Ca -0.09 0.51 -0.69 0.00 0.00 0.00 0.00 47.33 47.06 3i2k h GLY 414 CO 0.33 -0.19 3.53 -1.55 0.00 0.00 0.00 176.54 178.66 3i2k n PRO 415 N -5.42 3.61 -2.74 4.80 -0.04 -1.26 -0.57 135.00 133.38 3i2k n PRO 415 Ca -0.01 -2.44 -0.38 0.00 -0.04 0.00 0.00 63.50 60.64 3i2k n PRO 415 Cb 0.35 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.86 3i2k n PRO 415 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i2k s ALA 416 N 2.03 3.26 0.06 0.55 0.00 -1.05 -4.54 121.76 122.07 3i2k s ALA 416 Ca 0.63 0.59 -0.31 0.00 0.00 0.00 0.00 51.96 52.87 3i2k s ALA 416 Cb 0.17 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 3i2k s ALA 416 CO -0.07 0.14 1.50 0.34 0.00 0.00 0.00 175.76 177.68 3i2k s ASP 417 N -1.42 6.73 0.00 0.00 2.15 -1.26 -1.68 116.67 121.19 3i2k s ASP 417 Ca 0.47 2.34 0.27 0.00 0.43 0.00 0.00 52.55 56.05 3i2k s ASP 417 Cb -0.22 -2.57 0.81 0.00 -0.30 0.00 0.00 42.92 40.64 3i2k s ASP 417 CO 0.28 -0.77 1.60 0.00 -0.17 0.00 0.00 175.17 176.10 3i2k n GLN 418 N 5.02 0.90 -0.21 4.34 1.13 0.80 -4.39 117.38 124.98 3i2k n GLN 418 Ca 0.14 -0.52 0.22 0.00 -1.94 0.00 0.00 57.00 54.89 3i2k n GLN 418 Cb 0.42 -1.49 0.58 0.00 0.11 0.00 0.00 30.24 29.86 3i2k n GLN 418 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i2k h ARG 419 N 1.27 0.26 0.00 -1.09 3.08 -1.91 -1.43 114.38 114.57 3i2k h ARG 419 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3i2k h ARG 419 Cb 0.50 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3i2k h ARG 419 CO 0.00 0.17 -0.01 -1.35 -1.07 0.00 0.00 179.97 177.71 3i2k h PRO 420 N 0.27 0.00 0.00 0.04 0.11 -1.99 -3.30 132.00 127.13 3i2k h PRO 420 Ca 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.54 3i2k h PRO 420 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 3i2k h PRO 420 CO -0.12 0.01 -1.13 0.44 -0.21 0.00 0.00 178.00 176.99 3i2k n ILE 421 N -3.90 0.04 1.20 4.15 -5.35 -0.60 -4.63 119.36 110.26 3i2k n ILE 421 Ca -0.03 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3i2k n ILE 421 Cb 0.09 0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 3i2k n ILE 421 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i2k n HIS 422 N -1.70 0.00 0.47 4.28 1.44 -0.85 -1.64 115.22 117.23 3i2k n HIS 422 Ca -0.01 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.81 3i2k n HIS 422 Cb 0.18 -0.05 0.06 0.00 0.12 0.00 0.00 29.99 30.30 3i2k n HIS 422 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3i2k n ASP 423 N -0.18 0.65 -4.77 4.39 5.75 -1.26 -1.21 116.55 119.92 3i2k n ASP 423 Ca 0.00 -0.01 -0.36 0.00 -0.01 0.00 0.00 54.79 54.41 3i2k n ASP 423 Cb 0.11 0.59 0.01 0.00 -1.03 0.00 0.00 41.12 40.80 3i2k n ASP 423 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i2k s ARG 424 N -3.23 3.41 0.56 0.11 0.52 -0.65 -4.74 118.95 114.93 3i2k s ARG 424 Ca 0.03 1.74 0.33 0.00 -0.52 0.00 0.00 55.73 57.31 3i2k s ARG 424 Cb 0.13 -2.14 1.59 0.00 0.52 0.00 0.00 34.95 35.06 3i2k s ARG 424 CO 0.78 -0.83 2.09 0.22 0.02 0.00 0.00 175.30 177.58 3i2k h ASP 425 N 1.44 0.00 -0.43 0.23 3.58 -1.94 -2.24 116.42 117.06 3i2k h ASP 425 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 3i2k h ASP 425 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 3i2k h ASP 425 CO 0.58 0.06 0.00 -0.90 -2.88 0.00 0.00 179.24 176.10 3i2k n ASP 426 N -3.32 2.48 -4.23 2.28 5.75 -1.26 -4.57 116.55 113.69 3i2k n ASP 426 Ca -0.01 -1.96 -0.39 0.00 -0.01 0.00 0.00 54.79 52.42 3i2k n ASP 426 Cb 0.24 -0.29 -0.11 0.00 -1.03 0.00 0.00 41.12 39.94 3i2k n ASP 426 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i2k s VAL 427 N -1.43 3.94 -0.05 2.12 1.01 -0.84 -4.40 120.40 120.75 3i2k s VAL 427 Ca 0.32 -1.51 -0.24 0.00 0.00 0.00 0.00 61.98 60.56 3i2k s VAL 427 Cb 0.17 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3i2k s VAL 427 CO 0.23 -0.50 0.71 -0.76 0.00 0.00 0.00 175.10 174.78 3i2k s LEU 428 N 1.36 4.33 -0.07 3.92 1.43 -0.09 -0.59 118.68 128.97 3i2k s LEU 428 Ca 0.03 1.22 0.05 0.00 -1.03 0.00 0.00 54.13 54.40 3i2k s LEU 428 Cb -0.23 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 3i2k s LEU 428 CO 0.01 -0.10 -0.24 0.00 0.23 0.00 0.00 176.35 176.25 3i2k s TYR 430 N -0.04 0.94 0.06 0.00 1.51 -0.42 -3.56 117.35 115.84 3i2k s TYR 430 Ca -0.07 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 55.71 3i2k s TYR 430 Cb -0.15 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 3i2k s TYR 430 CO 0.05 -0.28 -0.13 -1.12 -1.11 0.00 0.00 175.55 172.96 3i2k s SER 431 N 1.21 1.53 0.92 2.29 0.01 -0.89 -0.76 113.70 118.00 3i2k s SER 431 Ca -0.06 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.50 3i2k s SER 431 Cb -0.14 -0.04 0.14 0.00 0.21 0.00 0.00 66.02 66.19 3i2k s SER 431 CO -0.02 -0.08 1.11 0.42 0.41 0.00 0.00 173.24 175.08 3i2k s THR 432 N -1.23 2.25 1.06 1.44 -4.23 -0.13 -1.21 115.64 113.59 3i2k s THR 432 Ca -0.03 0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.45 3i2k s THR 432 Cb -0.10 -2.73 0.22 0.00 1.34 0.00 0.00 72.50 71.24 3i2k s THR 432 CO 0.02 -0.11 1.08 -1.61 -0.54 0.00 0.00 174.62 173.46 3i2k s GLU 433 N -5.13 -0.08 0.17 3.99 0.41 -1.26 -4.71 118.70 112.09 3i2k s GLU 433 Ca 0.64 1.16 -0.32 0.00 -0.41 0.00 0.00 54.97 56.04 3i2k s GLU 433 Cb -0.16 -1.63 -0.11 0.00 -1.78 0.00 0.00 34.13 30.46 3i2k s GLU 433 CO 0.55 -3.25 1.62 0.08 -0.49 0.00 0.00 175.26 173.77 3i2k s VAL 434 N -2.54 2.46 0.14 2.63 1.01 -1.26 -4.65 120.40 118.19 3i2k s VAL 434 Ca 0.68 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 3i2k s VAL 434 Cb -0.24 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 3i2k s VAL 434 CO 0.62 0.02 1.05 -0.76 0.00 0.00 0.00 175.10 176.03 3i2k s LEU 435 N 1.26 4.48 -0.07 3.92 1.43 -0.01 -4.88 118.68 124.81 3i2k s LEU 435 Ca 0.72 1.96 0.10 0.00 -1.03 0.00 0.00 54.13 55.88 3i2k s LEU 435 Cb -0.45 -3.60 -0.24 0.00 0.03 0.00 0.00 46.19 41.94 3i2k s LEU 435 CO 0.32 -0.18 0.56 0.35 0.23 0.00 0.00 176.35 177.63 3i2k n THR 436 N 2.69 1.61 -4.39 5.49 -2.24 -1.26 -0.63 114.28 115.54 3i2k n THR 436 Ca 0.03 -0.78 -0.25 0.00 -2.27 0.00 0.00 64.05 60.78 3i2k n THR 436 Cb 0.47 -1.08 -0.10 0.00 -2.10 0.00 0.00 70.33 67.52 3i2k n THR 436 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3i2k s ASP 437 N -6.17 3.83 0.49 3.42 1.01 -1.26 -4.59 116.67 113.40 3i2k s ASP 437 Ca -0.08 -0.83 -0.22 0.00 0.71 0.00 0.00 52.55 52.14 3i2k s ASP 437 Cb 0.08 -0.46 -0.07 0.00 1.01 0.00 0.00 42.92 43.48 3i2k s ASP 437 CO 0.82 0.07 1.14 -2.16 0.21 0.00 0.00 175.17 175.24 3i2k s PRO 438 N -3.14 3.65 -0.14 8.23 0.04 -1.26 -4.44 135.00 137.93 3i2k s PRO 438 Ca 0.26 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 62.97 3i2k s PRO 438 Cb -0.07 -2.25 0.03 0.00 0.04 0.00 0.00 34.50 32.24 3i2k s PRO 438 CO 0.14 -0.62 -0.10 0.08 0.04 0.00 0.00 177.00 176.54 3i2k s VAL 439 N -1.66 1.31 -0.17 -0.36 1.01 -0.41 -4.98 120.40 115.13 3i2k s VAL 439 Ca 0.67 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 3i2k s VAL 439 Cb -0.26 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3i2k s VAL 439 CO 0.30 0.35 0.34 -0.70 0.00 0.00 0.00 175.10 175.40 3i2k s GLU 440 N 1.58 4.24 -0.30 2.72 2.12 -1.26 -0.53 118.70 127.28 3i2k s GLU 440 Ca 0.04 0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.55 3i2k s GLU 440 Cb -0.13 -3.47 0.08 0.00 0.26 0.00 0.00 34.13 30.87 3i2k s GLU 440 CO -0.09 0.14 -0.03 0.08 -0.54 0.00 0.00 175.26 174.82 3i2k s VAL 441 N 0.77 2.33 -0.17 3.70 1.01 0.25 -1.23 120.40 127.07 3i2k s VAL 441 Ca 0.18 -1.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.22 3i2k s VAL 441 Cb -0.14 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.79 3i2k s VAL 441 CO 0.06 -0.28 0.06 -0.89 0.00 0.00 0.00 175.10 174.05 3i2k s THR 442 N 1.04 0.22 -5.00 3.92 2.01 -0.48 -0.69 115.64 116.66 3i2k s THR 442 Ca -0.01 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.67 3i2k s THR 442 Cb -0.20 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.54 3i2k s THR 442 CO -0.06 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.27 3i2k n GLY 443 N 5.17 -1.15 3.78 4.40 0.00 -0.49 -4.74 105.19 112.15 3i2k n GLY 443 Ca -0.08 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 3i2k n GLY 443 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i2k s THR 444 N -2.47 3.34 -0.01 2.61 -4.23 -1.26 -1.86 115.64 111.76 3i2k s THR 444 Ca 0.00 1.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.56 3i2k s THR 444 Cb 0.00 -3.50 -0.01 0.00 1.34 0.00 0.00 72.50 70.33 3i2k s THR 444 CO 0.00 -0.03 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.19 3i2k s VAL 445 N -1.62 1.33 0.15 2.29 1.01 -0.45 -4.26 120.40 118.86 3i2k s VAL 445 Ca 0.62 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 3i2k s VAL 445 Cb -0.26 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.02 3i2k s VAL 445 CO 0.31 0.35 0.34 -0.94 0.00 0.00 0.00 175.10 175.16 3i2k s SER 446 N -0.47 -0.06 0.14 3.32 1.04 -1.21 -0.97 113.70 115.48 3i2k s SER 446 Ca 0.06 -0.63 0.10 0.00 0.48 0.00 0.00 55.95 55.96 3i2k s SER 446 Cb -0.07 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3i2k s SER 446 CO -0.00 -0.88 -0.23 0.00 0.98 0.00 0.00 173.24 173.10 3i2k s ALA 447 N -3.89 2.18 -0.24 5.32 0.00 -0.07 -0.29 121.76 124.77 3i2k s ALA 447 Ca 0.10 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.63 3i2k s ALA 447 Cb 0.02 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.91 3i2k s ALA 447 CO -0.05 0.41 -0.05 1.03 0.00 0.00 0.00 175.76 177.11 3i2k s ARG 448 N -2.25 1.60 0.00 0.00 1.81 0.36 -0.91 118.95 119.56 3i2k s ARG 448 Ca 0.13 -1.02 0.07 0.00 -1.72 0.00 0.00 55.73 53.19 3i2k s ARG 448 Cb -0.09 -2.60 -0.03 0.00 -0.45 0.00 0.00 34.95 31.79 3i2k s ARG 448 CO 0.06 -0.62 -0.21 -0.51 -0.68 0.00 0.00 175.30 173.34 3i2k s LEU 449 N 1.38 2.39 -0.33 2.53 1.43 -0.10 -0.89 118.68 125.10 3i2k s LEU 449 Ca -0.05 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 3i2k s LEU 449 Cb -0.19 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3i2k s LEU 449 CO -0.07 0.30 0.29 -0.36 0.23 0.00 0.00 176.35 176.74 3i2k s PHE 450 N -0.77 3.22 0.11 0.29 0.40 -1.26 -0.54 117.98 119.43 3i2k s PHE 450 Ca 0.12 -0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.42 3i2k s PHE 450 Cb -0.10 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.84 3i2k s PHE 450 CO 0.02 -0.37 -0.11 0.14 0.70 0.00 0.00 175.22 175.60 3i2k s VAL 451 N 1.86 1.07 0.11 -0.44 -7.23 0.19 -0.43 120.40 115.53 3i2k s VAL 451 Ca 0.09 -1.69 -0.07 0.00 -1.81 0.00 0.00 61.98 58.50 3i2k s VAL 451 Cb -0.17 -1.44 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 3i2k s VAL 451 CO 0.11 -0.53 0.17 -0.94 -0.31 0.00 0.00 175.10 173.59 3i2k s SER 452 N -2.50 0.18 0.02 4.85 1.04 -0.54 -0.72 113.70 116.02 3i2k s SER 452 Ca 0.07 -0.81 -0.08 0.00 0.48 0.00 0.00 55.95 55.61 3i2k s SER 452 Cb -0.03 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 3i2k s SER 452 CO 0.01 -0.75 0.15 -0.55 0.98 0.00 0.00 173.24 173.08 3i2k s SER 453 N -2.91 0.06 0.06 7.02 0.15 -1.26 -0.97 113.70 115.84 3i2k s SER 453 Ca 0.10 -0.33 0.23 0.00 0.70 0.00 0.00 55.95 56.66 3i2k s SER 453 Cb 0.05 0.24 0.95 0.00 -1.71 0.00 0.00 66.02 65.54 3i2k s SER 453 CO -0.07 -0.46 1.73 -1.54 1.20 0.00 0.00 173.24 174.10 3i2k n SER 454 N 1.06 0.18 -4.89 5.45 3.41 -0.50 -0.31 113.62 118.02 3i2k n SER 454 Ca -0.21 0.53 -0.21 0.00 -0.26 0.00 0.00 58.87 58.72 3i2k n SER 454 Cb 0.57 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3i2k n SER 454 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i2k s ALA 455 N -3.05 3.81 -1.59 7.33 0.00 -1.26 -4.77 121.76 122.23 3i2k s ALA 455 Ca 0.10 -1.42 0.29 0.00 0.00 0.00 0.00 51.96 50.93 3i2k s ALA 455 Cb 0.14 -1.44 1.19 0.00 0.00 0.00 0.00 23.12 23.02 3i2k s ALA 455 CO 0.44 0.16 1.84 1.33 0.00 0.00 0.00 175.76 179.53 3i2k n VAL 456 N -1.34 0.00 -3.56 0.00 0.24 -1.26 -4.24 118.33 108.17 3i2k n VAL 456 Ca -0.06 -0.06 -0.17 0.00 -2.04 0.00 0.00 64.34 62.01 3i2k n VAL 456 Cb 0.58 -0.10 -0.06 0.00 -1.47 0.00 0.00 33.84 32.79 3i2k n VAL 456 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i2k s ASP 457 N -2.52 -0.58 0.22 -1.34 2.15 -1.26 -1.34 116.67 112.00 3i2k s ASP 457 Ca 0.27 0.64 -0.21 0.00 0.43 0.00 0.00 52.55 53.68 3i2k s ASP 457 Cb 0.20 0.53 0.07 0.00 -0.30 0.00 0.00 42.92 43.42 3i2k s ASP 457 CO 0.49 -0.57 1.00 0.28 -0.17 0.00 0.00 175.17 176.19 3i2k s THR 458 N -1.16 0.00 0.21 1.71 -1.32 -1.26 -4.11 115.64 109.71 3i2k s THR 458 Ca -0.11 -0.66 0.09 0.00 -1.21 0.00 0.00 61.69 59.81 3i2k s THR 458 Cb -0.01 -2.89 -0.04 0.00 -1.51 0.00 0.00 72.50 68.05 3i2k s THR 458 CO 0.09 0.00 -0.08 -1.81 -2.21 0.00 0.00 174.62 170.61 3i2k s ASP 459 N -3.35 4.27 -0.02 8.08 1.01 -1.26 -0.73 116.67 124.66 3i2k s ASP 459 Ca 0.21 -0.63 0.04 0.00 0.71 0.00 0.00 52.55 52.88 3i2k s ASP 459 Cb -0.03 -0.72 -0.01 0.00 1.01 0.00 0.00 42.92 43.18 3i2k s ASP 459 CO 0.06 0.07 -0.13 -0.36 0.21 0.00 0.00 175.17 175.02 3i2k s PHE 460 N -1.91 1.26 0.17 4.23 0.08 -0.18 -4.31 117.98 117.32 3i2k s PHE 460 Ca 0.27 -0.28 0.11 0.00 0.12 0.00 0.00 56.93 57.14 3i2k s PHE 460 Cb -0.08 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.49 3i2k s PHE 460 CO 0.16 -0.07 -0.23 0.95 -0.10 0.00 0.00 175.22 175.94 3i2k s THR 461 N -0.13 2.47 -0.02 0.64 -4.23 0.50 -0.39 115.64 114.48 3i2k s THR 461 Ca 0.02 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 58.64 3i2k s THR 461 Cb -0.07 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.62 3i2k s THR 461 CO 0.00 -0.04 0.05 0.00 -0.54 0.00 0.00 174.62 174.08 3i2k s ALA 462 N -1.47 -0.07 -0.03 3.99 0.00 -0.76 -2.18 121.76 121.24 3i2k s ALA 462 Ca 0.19 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.38 3i2k s ALA 462 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3i2k s ALA 462 CO 0.09 -0.05 -0.10 0.21 0.00 0.00 0.00 175.76 175.91 3i2k s LYS 463 N 0.37 1.13 -0.06 0.00 2.20 0.03 -1.12 119.74 122.29 3i2k s LYS 463 Ca -0.03 -0.35 -0.14 0.00 -0.36 0.00 0.00 55.97 55.09 3i2k s LYS 463 Cb -0.04 -1.03 -0.05 0.00 -1.51 0.00 0.00 37.83 35.19 3i2k s LYS 463 CO -0.01 0.12 0.36 -1.17 -0.36 0.00 0.00 175.35 174.29 3i2k s LEU 464 N 0.22 4.40 -0.00 5.43 2.96 0.36 -0.96 118.68 131.09 3i2k s LEU 464 Ca -0.04 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3i2k s LEU 464 Cb -0.10 -2.49 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 3i2k s LEU 464 CO 0.01 0.25 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.58 3i2k s VAL 465 N -0.57 0.17 -0.36 1.68 1.01 0.81 -0.48 120.40 122.66 3i2k s VAL 465 Ca 0.21 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 3i2k s VAL 465 Cb -0.15 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.09 3i2k s VAL 465 CO 0.10 0.04 0.19 -0.62 0.00 0.00 0.00 175.10 174.81 3i2k s ASP 466 N -0.08 5.69 -0.31 3.32 -1.08 -0.10 -1.20 116.67 122.92 3i2k s ASP 466 Ca 0.00 -0.87 -0.22 0.00 -0.52 0.00 0.00 52.55 50.95 3i2k s ASP 466 Cb -0.01 -2.02 -0.00 0.00 -1.46 0.00 0.00 42.92 39.42 3i2k s ASP 466 CO -0.00 -0.34 0.70 -0.69 0.52 0.00 0.00 175.17 175.36 3i2k s VAL 467 N 1.57 4.87 0.55 1.11 1.01 -0.58 -0.77 120.40 128.17 3i2k s VAL 467 Ca 0.03 0.98 -0.08 0.00 0.00 0.00 0.00 61.98 62.90 3i2k s VAL 467 Cb -0.19 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3i2k s VAL 467 CO 0.07 -0.20 0.91 -0.36 0.00 0.00 0.00 175.10 175.51 3i2k s PHE 468 N 2.77 3.59 0.38 5.22 0.40 0.58 -1.61 117.98 129.31 3i2k s PHE 468 Ca 0.28 1.05 0.12 0.00 -0.60 0.00 0.00 56.93 57.77 3i2k s PHE 468 Cb -0.15 -2.51 0.91 0.00 0.51 0.00 0.00 43.02 41.78 3i2k s PHE 468 CO 0.12 -0.49 1.87 -1.35 0.70 0.00 0.00 175.22 176.08 3i2k h PRO 469 N -0.05 0.57 0.00 0.24 0.11 -1.88 -0.78 132.00 130.21 3i2k h PRO 469 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i2k h PRO 469 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3i2k h PRO 469 CO 0.62 0.38 0.00 -0.40 -0.21 0.00 0.00 178.00 178.39 3i2k n ASP 470 N -4.54 0.00 0.00 -2.05 5.68 -1.26 -4.90 116.55 109.47 3i2k n ASP 470 Ca 0.17 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 3i2k n ASP 470 Cb 0.52 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3i2k n ASP 470 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i2k n GLY 471 N 1.22 2.18 3.63 6.12 0.00 -0.30 -5.07 105.19 112.97 3i2k n GLY 471 Ca 0.11 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 3i2k n GLY 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2k n ARG 472 N -0.94 1.68 -3.80 1.61 1.74 -1.26 -4.69 116.66 111.01 3i2k n ARG 472 Ca 0.00 0.60 -0.34 0.00 -0.77 0.00 0.00 57.85 57.34 3i2k n ARG 472 Cb 0.00 -2.23 -0.11 0.00 -1.02 0.00 0.00 32.46 29.10 3i2k n ARG 472 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i2k s ALA 473 N 0.18 3.45 -0.23 7.54 0.00 -1.26 -0.31 121.76 131.13 3i2k s ALA 473 Ca 0.74 -3.18 -0.21 0.00 0.00 0.00 0.00 51.96 49.31 3i2k s ALA 473 Cb -0.76 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 3i2k s ALA 473 CO 0.48 -2.04 0.65 0.42 0.00 0.00 0.00 175.76 175.26 3i2k s ILE 474 N 0.00 4.99 0.28 0.00 -1.09 0.05 -0.14 121.20 125.29 3i2k s ILE 474 Ca 0.16 1.19 -0.30 0.00 -2.23 0.00 0.00 60.65 59.47 3i2k s ILE 474 Cb -0.22 -3.95 -0.11 0.00 -1.58 0.00 0.00 42.46 36.59 3i2k s ILE 474 CO -0.03 0.06 1.59 0.00 -1.23 0.00 0.00 174.94 175.33 3i2k s ALA 475 N 2.27 3.75 0.00 9.38 0.00 -0.68 -0.93 121.76 135.55 3i2k s ALA 475 Ca 0.28 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.79 3i2k s ALA 475 Cb -0.16 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3i2k s ALA 475 CO 0.09 -0.95 0.00 1.28 0.00 0.00 0.00 175.76 176.18 3i2k n LEU 476 N 2.38 0.00 -4.91 0.00 4.77 0.37 -4.38 117.00 115.22 3i2k n LEU 476 Ca 0.09 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.84 3i2k n LEU 476 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3i2k n LEU 476 CO 0.63 0.00 -0.10 0.00 -1.33 0.00 0.00 177.39 176.59 3i2k s ASP 478 N -3.67 -0.09 0.24 0.00 -4.77 -1.24 -0.49 116.67 106.64 3i2k s ASP 478 Ca 0.34 -0.68 -0.06 0.00 -3.30 0.00 0.00 52.55 48.85 3i2k s ASP 478 Cb -0.09 0.50 0.02 0.00 -1.09 0.00 0.00 42.92 42.26 3i2k s ASP 478 CO 0.27 -0.96 0.42 0.61 0.70 0.00 0.00 175.17 176.22 3i2k n GLY 479 N -0.27 1.85 3.14 2.12 0.00 -0.27 -4.32 105.19 107.44 3i2k n GLY 479 Ca -0.09 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 3i2k n GLY 479 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i2k s ILE 480 N -2.54 0.07 -0.10 -0.61 2.07 -1.26 -1.83 121.20 117.00 3i2k s ILE 480 Ca 0.14 -0.59 0.02 0.00 -1.41 0.00 0.00 60.65 58.80 3i2k s ILE 480 Cb -0.02 -0.48 0.01 0.00 0.13 0.00 0.00 42.46 42.11 3i2k s ILE 480 CO 0.10 -0.33 -0.14 0.54 -1.91 0.00 0.00 174.94 173.21 3i2k s VAL 481 N -1.29 1.35 -0.25 4.00 0.11 0.48 -3.83 120.40 120.98 3i2k s VAL 481 Ca -0.14 -0.57 -0.20 0.00 -2.93 0.00 0.00 61.98 58.15 3i2k s VAL 481 Cb -0.07 -1.25 -0.02 0.00 -1.53 0.00 0.00 36.38 33.51 3i2k s VAL 481 CO 0.02 0.41 0.60 -0.60 -3.33 0.00 0.00 175.10 172.20 3i2k s ARG 482 N 0.95 4.12 0.41 1.54 3.52 -0.34 -1.01 118.95 128.15 3i2k s ARG 482 Ca -0.08 0.50 0.09 0.00 -0.13 0.00 0.00 55.73 56.10 3i2k s ARG 482 Cb -0.15 -3.64 0.88 0.00 -1.56 0.00 0.00 34.95 30.49 3i2k s ARG 482 CO -0.00 -0.36 2.02 0.52 -0.81 0.00 0.00 175.30 176.67 3i2k h MET 483 N 7.84 0.39 0.00 5.12 2.86 -1.25 0.93 114.93 130.82 3i2k h MET 483 Ca -0.28 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 3i2k h MET 483 Cb 1.13 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 3i2k h MET 483 CO 0.76 0.32 -0.02 0.07 1.06 0.00 0.00 176.91 179.10 3i2k h ARG 484 N 0.39 0.00 -0.46 1.72 0.11 -1.81 -1.34 114.38 112.99 3i2k h ARG 484 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 3i2k h ARG 484 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 3i2k h ARG 484 CO -0.01 0.02 0.00 0.66 0.10 0.00 0.00 179.97 180.74 3i2k n TYR 485 N -3.54 1.55 -0.05 4.08 4.01 0.31 -1.89 117.16 121.62 3i2k n TYR 485 Ca -0.03 -0.77 0.09 0.00 -0.16 0.00 0.00 57.90 57.03 3i2k n TYR 485 Cb 0.11 -0.40 0.46 0.00 -0.31 0.00 0.00 39.34 39.21 3i2k n TYR 485 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 3i2k h ARG 486 N 3.13 0.47 0.00 -0.72 0.11 -1.17 -3.06 114.38 113.14 3i2k h ARG 486 Ca 0.00 -0.03 -0.38 0.00 0.10 0.00 0.00 59.98 59.68 3i2k h ARG 486 Cb 1.69 -0.11 -0.07 0.00 1.11 0.00 0.00 29.97 32.60 3i2k h ARG 486 CO 0.35 0.31 -2.42 0.39 0.10 0.00 0.00 179.97 178.70 3i2k n GLU 487 N -4.47 0.67 -3.69 0.08 -0.58 -1.26 -4.75 120.64 106.64 3i2k n GLU 487 Ca 0.07 0.06 -0.13 0.00 -0.42 0.00 0.00 57.16 56.74 3i2k n GLU 487 Cb 0.24 -1.52 -0.09 0.00 -0.57 0.00 0.00 31.44 29.50 3i2k n GLU 487 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3i2k s THR 488 N -2.50 -0.00 -0.97 2.62 -1.32 -1.16 -5.02 115.64 107.28 3i2k s THR 488 Ca -0.20 0.01 0.28 0.00 -1.21 0.00 0.00 61.69 60.57 3i2k s THR 488 Cb 0.07 -0.74 0.23 0.00 -1.51 0.00 0.00 72.50 70.55 3i2k s THR 488 CO 0.74 0.00 1.88 0.18 -2.21 0.00 0.00 174.62 175.22 3i2k n LEU 489 N 3.07 0.07 -0.12 9.08 4.77 -1.26 -4.22 117.00 128.39 3i2k n LEU 489 Ca -0.15 0.51 -0.20 0.00 -0.03 0.00 0.00 56.01 56.13 3i2k n LEU 489 Cb 0.56 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 3i2k n LEU 489 CO 0.08 -0.04 -1.30 0.52 -1.33 0.00 0.00 177.39 175.32 3i2k n VAL 490 N -1.57 1.53 -3.31 4.08 0.31 -1.26 -0.72 118.33 117.38 3i2k n VAL 490 Ca 0.07 -0.54 -0.26 0.00 -0.01 0.00 0.00 64.34 63.60 3i2k n VAL 490 Cb 0.33 -1.54 -0.07 0.00 -0.91 0.00 0.00 33.84 31.65 3i2k n VAL 490 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i2k n ASN 491 N -3.47 2.45 -4.74 4.52 3.02 -1.26 -4.69 115.26 111.08 3i2k n ASN 491 Ca -0.46 -3.18 -0.35 0.00 -0.03 0.00 0.00 54.58 50.56 3i2k n ASN 491 Cb 0.97 -0.65 0.06 0.00 -0.61 0.00 0.00 39.78 39.55 3i2k n ASN 491 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i2k s PRO 492 N -2.07 2.62 0.05 3.52 0.04 -1.26 -4.83 135.00 133.08 3i2k s PRO 492 Ca 0.39 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.24 3i2k s PRO 492 Cb 0.17 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 3i2k s PRO 492 CO -0.05 -1.47 -0.06 0.95 0.04 0.00 0.00 177.00 176.41 3i2k s THR 493 N -1.76 0.42 0.72 1.26 -4.23 -0.79 -5.03 115.64 106.23 3i2k s THR 493 Ca 0.76 -1.34 -0.10 0.00 -1.18 0.00 0.00 61.69 59.84 3i2k s THR 493 Cb -0.30 -0.89 0.05 0.00 1.34 0.00 0.00 72.50 72.69 3i2k s THR 493 CO 0.39 -0.61 1.08 -0.76 -0.54 0.00 0.00 174.62 174.17 3i2k s LEU 494 N -2.07 2.80 0.31 4.79 1.43 -1.26 -4.18 118.68 120.49 3i2k s LEU 494 Ca -0.04 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 53.93 3i2k s LEU 494 Cb -0.04 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 3i2k s LEU 494 CO -0.03 -1.55 0.27 0.27 0.23 0.00 0.00 176.35 175.55 3i2k s ILE 495 N -3.35 3.86 -0.16 -0.59 -4.36 -0.45 -5.01 121.20 111.13 3i2k s ILE 495 Ca 0.59 -1.36 -0.17 0.00 -0.26 0.00 0.00 60.65 59.45 3i2k s ILE 495 Cb -0.11 -3.27 -0.04 0.00 1.25 0.00 0.00 42.46 40.29 3i2k s ILE 495 CO 0.48 -0.23 0.45 -1.61 0.24 0.00 0.00 174.94 174.27 3i2k s GLU 496 N -3.96 4.25 0.23 0.37 0.41 -1.26 -4.45 118.70 114.29 3i2k s GLU 496 Ca 0.39 0.34 -0.32 0.00 -0.41 0.00 0.00 54.97 54.97 3i2k s GLU 496 Cb -0.07 -3.49 -0.13 0.00 -1.78 0.00 0.00 34.13 28.66 3i2k s GLU 496 CO 0.26 0.04 1.54 0.00 -0.49 0.00 0.00 175.26 176.61 3i2k n ALA 497 N 4.16 1.76 0.00 5.21 0.00 -1.26 -2.38 120.51 127.99 3i2k n ALA 497 Ca -0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3i2k n ALA 497 Cb 0.51 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3i2k n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2k n GLY 498 N 2.72 2.69 3.80 0.00 0.00 0.58 -4.99 105.19 109.97 3i2k n GLY 498 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3i2k n GLY 498 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2k s GLU 499 N -0.36 4.43 -0.11 1.61 0.41 -1.00 -4.85 118.70 118.84 3i2k s GLU 499 Ca 0.00 1.10 -0.21 0.00 -0.41 0.00 0.00 54.97 55.45 3i2k s GLU 499 Cb 0.00 -2.87 -0.04 0.00 -1.78 0.00 0.00 34.13 29.44 3i2k s GLU 499 CO 0.00 0.35 0.61 0.42 -0.49 0.00 0.00 175.26 176.16 3i2k s ILE 500 N -1.54 5.09 -0.02 -1.63 1.01 -1.26 -4.41 121.20 118.44 3i2k s ILE 500 Ca 0.46 1.24 0.07 0.00 0.00 0.00 0.00 60.65 62.42 3i2k s ILE 500 Cb -0.18 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 3i2k s ILE 500 CO 0.23 0.25 -0.24 -0.31 0.00 0.00 0.00 174.94 174.87 3i2k s TYR 501 N 0.92 2.39 -0.31 3.97 2.02 0.10 -4.93 117.35 121.50 3i2k s TYR 501 Ca 0.32 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.44 3i2k s TYR 501 Cb -0.16 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 3i2k s TYR 501 CO 0.14 -0.01 0.51 -2.00 -1.57 0.00 0.00 175.55 172.62 3i2k s GLU 502 N -0.62 3.82 0.11 -0.62 2.12 -1.26 -0.64 118.70 121.61 3i2k s GLU 502 Ca 0.10 0.05 0.09 0.00 0.36 0.00 0.00 54.97 55.56 3i2k s GLU 502 Cb -0.10 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 3i2k s GLU 502 CO -0.01 -0.52 -0.21 0.14 -0.54 0.00 0.00 175.26 174.12 3i2k s VAL 503 N 2.36 1.79 -0.12 3.70 -7.23 0.30 -4.95 120.40 116.24 3i2k s VAL 503 Ca 0.20 -1.60 -0.07 0.00 -1.81 0.00 0.00 61.98 58.70 3i2k s VAL 503 Cb -0.15 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 3i2k s VAL 503 CO 0.12 -0.06 0.13 0.00 -0.31 0.00 0.00 175.10 174.98 3i2k s ALA 504 N -1.21 3.84 -0.19 1.32 0.00 -1.26 -0.92 121.76 123.34 3i2k s ALA 504 Ca 0.08 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3i2k s ALA 504 Cb -0.10 -1.96 0.02 0.00 0.00 0.00 0.00 23.12 21.09 3i2k s ALA 504 CO 0.05 0.60 -0.17 0.42 0.00 0.00 0.00 175.76 176.65 3i2k s ILE 505 N -0.97 2.22 -0.38 0.00 1.01 -0.08 -4.76 121.20 118.24 3i2k s ILE 505 Ca 0.15 -0.95 -0.28 0.00 0.00 0.00 0.00 60.65 59.57 3i2k s ILE 505 Cb -0.12 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.40 3i2k s ILE 505 CO 0.04 0.48 1.03 -0.62 0.00 0.00 0.00 174.94 175.87 3i2k s ASP 506 N 1.30 6.76 -0.34 3.58 -1.08 -1.26 -0.89 116.67 124.73 3i2k s ASP 506 Ca 0.04 0.72 0.08 0.00 -0.52 0.00 0.00 52.55 52.87 3i2k s ASP 506 Cb -0.14 -2.51 0.62 0.00 -1.46 0.00 0.00 42.92 39.43 3i2k s ASP 506 CO -0.11 -0.97 1.69 0.23 0.52 0.00 0.00 175.17 176.53 3i2k n MET 507 N 7.09 2.53 0.00 4.34 2.81 -0.14 -4.08 117.12 129.67 3i2k n MET 507 Ca 0.10 -3.07 0.00 0.00 -1.81 0.00 0.00 57.70 52.92 3i2k n MET 507 Cb 0.48 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 3i2k n MET 507 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3i2k n LEU 508 N -0.84 0.00 -3.61 4.03 4.77 -1.23 -3.72 117.00 116.39 3i2k n LEU 508 Ca 0.43 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 3i2k n LEU 508 Cb 1.32 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.37 3i2k n LEU 508 CO 0.38 0.00 0.29 0.00 -1.33 0.00 0.00 177.39 176.73 3i2k s ALA 509 N -1.33 -1.16 0.27 -1.18 0.00 -1.26 -1.33 121.76 115.75 3i2k s ALA 509 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 3i2k s ALA 509 Cb 0.00 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.95 3i2k s ALA 509 CO 0.00 -0.76 0.59 -0.08 0.00 0.00 0.00 175.76 175.51 3i2k s THR 510 N -3.82 0.00 -0.18 0.00 -1.32 -0.78 -4.72 115.64 104.83 3i2k s THR 510 Ca 0.05 -1.23 -0.05 0.00 -1.21 0.00 0.00 61.69 59.25 3i2k s THR 510 Cb -0.00 -2.15 0.06 0.00 -1.51 0.00 0.00 72.50 68.90 3i2k s THR 510 CO -0.08 0.00 0.11 -0.55 -2.21 0.00 0.00 174.62 171.88 3i2k s SER 511 N -2.98 2.23 -0.12 8.08 0.15 -1.25 -1.40 113.70 118.41 3i2k s SER 511 Ca 0.18 -0.57 -0.07 0.00 0.70 0.00 0.00 55.95 56.18 3i2k s SER 511 Cb -0.03 -0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.16 3i2k s SER 511 CO 0.08 -0.35 0.30 0.21 1.20 0.00 0.00 173.24 174.69 3i2k s ASN 512 N 2.16 -0.35 -0.32 5.45 2.47 0.14 -1.25 114.94 123.23 3i2k s ASN 512 Ca 0.03 0.64 -0.16 0.00 0.42 0.00 0.00 52.86 53.79 3i2k s ASN 512 Cb -0.16 0.55 -0.02 0.00 -1.45 0.00 0.00 41.25 40.18 3i2k s ASN 512 CO -0.10 -0.16 0.43 -0.69 -3.72 0.00 0.00 177.10 172.86 3i2k s VAL 513 N 1.07 5.11 -0.46 -5.21 1.01 0.33 -0.58 120.40 121.66 3i2k s VAL 513 Ca -0.07 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 3i2k s VAL 513 Cb -0.08 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.48 3i2k s VAL 513 CO -0.08 -0.07 1.11 -0.36 0.00 0.00 0.00 175.10 175.69 3i2k s PHE 514 N 2.18 2.85 0.63 5.22 0.40 0.31 -4.31 117.98 125.26 3i2k s PHE 514 Ca 0.15 0.70 -0.08 0.00 -0.60 0.00 0.00 56.93 57.11 3i2k s PHE 514 Cb -0.16 -4.33 0.01 0.00 0.51 0.00 0.00 43.02 39.06 3i2k s PHE 514 CO 0.12 -1.21 0.97 -0.51 0.70 0.00 0.00 175.22 175.28 3i2k s LEU 515 N 4.31 3.12 0.31 -0.37 1.43 -1.26 -1.29 118.68 124.93 3i2k s LEU 515 Ca 0.46 0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 54.13 3i2k s LEU 515 Cb -0.08 -3.67 -0.13 0.00 0.03 0.00 0.00 46.19 42.34 3i2k s LEU 515 CO 0.30 -1.16 1.23 -2.65 0.23 0.00 0.00 176.35 174.30 3i2k n PRO 516 N -2.73 1.88 0.00 1.29 -0.02 -1.26 -1.39 135.00 132.77 3i2k n PRO 516 Ca 0.05 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3i2k n PRO 516 Cb 0.57 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3i2k n PRO 516 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i2k n GLY 517 N 1.11 1.23 3.98 -1.23 0.00 0.20 -4.98 105.19 105.50 3i2k n GLY 517 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3i2k n GLY 517 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i2k s HIS 518 N -2.40 2.97 0.15 1.61 3.76 -0.49 -4.02 115.29 116.86 3i2k s HIS 518 Ca 0.00 -0.04 0.10 0.00 -0.15 0.00 0.00 55.06 54.97 3i2k s HIS 518 Cb 0.00 -2.49 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 3i2k s HIS 518 CO 0.00 -0.57 -0.22 1.03 -0.85 0.00 0.00 174.74 174.13 3i2k s ARG 519 N -4.57 1.32 -0.13 1.40 0.52 -0.63 -0.83 118.95 116.02 3i2k s ARG 519 Ca 0.53 -1.35 -0.19 0.00 -0.52 0.00 0.00 55.73 54.20 3i2k s ARG 519 Cb -0.10 -1.59 -0.04 0.00 0.52 0.00 0.00 34.95 33.74 3i2k s ARG 519 CO 0.36 0.35 0.51 0.42 0.02 0.00 0.00 175.30 176.97 3i2k s ILE 520 N -1.49 5.16 0.02 1.52 1.01 -1.26 -1.53 121.20 124.62 3i2k s ILE 520 Ca 0.14 1.01 0.04 0.00 0.00 0.00 0.00 60.65 61.84 3i2k s ILE 520 Cb -0.08 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 3i2k s ILE 520 CO 0.07 0.29 -0.11 -0.32 0.00 0.00 0.00 174.94 174.86 3i2k s MET 521 N 0.84 0.82 -0.03 2.79 -2.45 -0.34 -0.95 119.30 119.99 3i2k s MET 521 Ca 0.27 -0.57 0.07 0.00 -1.25 0.00 0.00 55.69 54.21 3i2k s MET 521 Cb -0.15 -0.79 -0.02 0.00 1.25 0.00 0.00 34.83 35.12 3i2k s MET 521 CO 0.11 0.20 -0.24 0.54 1.05 0.00 0.00 175.02 176.68 3i2k s VAL 522 N -0.62 1.95 -0.14 10.11 0.11 0.06 -0.14 120.40 131.72 3i2k s VAL 522 Ca 0.01 -1.04 -0.06 0.00 -2.93 0.00 0.00 61.98 57.96 3i2k s VAL 522 Cb -0.06 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 3i2k s VAL 522 CO 0.00 0.55 0.06 -1.10 -3.33 0.00 0.00 175.10 171.28 3i2k s GLN 523 N -0.47 3.61 -0.05 1.54 -0.21 -0.13 -1.30 119.66 122.65 3i2k s GLN 523 Ca 0.06 -0.32 0.06 0.00 0.02 0.00 0.00 55.36 55.18 3i2k s GLN 523 Cb -0.10 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 30.80 3i2k s GLN 523 CO 0.00 0.48 -0.24 0.08 -2.12 0.00 0.00 175.29 173.49 3i2k s VAL 524 N -0.23 1.99 0.00 1.09 1.01 0.42 -0.79 120.40 123.89 3i2k s VAL 524 Ca 0.08 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3i2k s VAL 524 Cb -0.12 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3i2k s VAL 524 CO 0.01 0.56 0.00 -0.24 0.00 0.00 0.00 175.10 175.43 3i2k n SER 525 N 2.87 0.00 -0.16 3.32 2.88 -0.93 -0.91 113.62 120.70 3i2k n SER 525 Ca -0.17 -0.16 0.03 0.00 -1.33 0.00 0.00 58.87 57.24 3i2k n SER 525 Cb 0.52 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.02 3i2k n SER 525 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i2k n SER 526 N -0.25 1.16 -3.42 -3.46 7.64 -1.26 -0.37 113.62 113.66 3i2k n SER 526 Ca 0.00 -2.12 -0.12 0.00 1.01 0.00 0.00 58.87 57.63 3i2k n SER 526 Cb 0.00 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.00 3i2k n SER 526 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i2k s SER 527 N -1.36 -0.57 -0.46 6.43 1.04 -1.26 -4.36 113.70 113.15 3i2k s SER 527 Ca 0.10 0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.59 3i2k s SER 527 Cb 0.08 0.60 0.20 0.00 0.10 0.00 0.00 66.02 67.00 3i2k s SER 527 CO 0.01 -0.95 0.82 0.21 0.98 0.00 0.00 173.24 174.31 3i2k s ASN 528 N -2.69 -1.13 -0.10 7.02 2.47 -1.25 -4.42 114.94 114.85 3i2k s ASN 528 Ca 0.01 -1.24 0.01 0.00 0.42 0.00 0.00 52.86 52.05 3i2k s ASN 528 Cb -0.01 1.47 -0.02 0.00 -1.45 0.00 0.00 41.25 41.24 3i2k s ASN 528 CO -0.12 -0.05 -0.12 0.12 -3.72 0.00 0.00 177.10 173.21 3i2k s PHE 529 N 1.03 2.82 -0.58 0.43 5.36 -0.34 -0.92 117.98 125.77 3i2k s PHE 529 Ca 0.27 -0.38 0.15 0.00 -0.96 0.00 0.00 56.93 56.01 3i2k s PHE 529 Cb 0.03 -1.78 0.77 0.00 -0.34 0.00 0.00 43.02 41.70 3i2k s PHE 529 CO -0.07 -0.00 1.68 -0.35 -1.46 0.00 0.00 175.22 175.01 3i2k n PRO 530 N 3.00 4.41 -0.23 10.12 -0.04 -1.26 -0.73 135.00 150.28 3i2k n PRO 530 Ca -0.18 -2.97 0.03 0.00 -0.04 0.00 0.00 63.50 60.34 3i2k n PRO 530 Cb 0.53 -2.13 0.15 0.00 -0.04 0.00 0.00 33.50 32.01 3i2k n PRO 530 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i2k h LYS 531 N 3.93 0.34 -6.21 0.54 1.63 -1.90 -2.30 116.57 112.61 3i2k h LYS 531 Ca 0.00 -0.02 -0.59 0.00 -0.85 0.00 0.00 60.65 59.19 3i2k h LYS 531 Cb 1.77 -0.08 -0.24 0.00 -0.60 0.00 0.00 32.23 33.08 3i2k h LYS 531 CO 0.39 0.23 -0.84 0.71 -3.45 0.00 0.00 179.45 176.49 3i2k s TYR 532 N -6.07 1.87 0.90 1.91 2.02 -0.10 -3.65 117.35 114.24 3i2k s TYR 532 Ca -0.13 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.07 3i2k s TYR 532 Cb 0.19 -1.08 0.13 0.00 -0.40 0.00 0.00 41.96 40.80 3i2k s TYR 532 CO 0.75 0.15 1.10 0.16 -1.57 0.00 0.00 175.55 176.14 3i2k s ASP 533 N -1.47 3.27 0.13 2.29 -4.77 0.06 -4.09 116.67 112.09 3i2k s ASP 533 Ca 0.08 1.84 -0.27 0.00 -3.30 0.00 0.00 52.55 50.89 3i2k s ASP 533 Cb -0.09 -2.43 -0.07 0.00 -1.09 0.00 0.00 42.92 39.24 3i2k s ASP 533 CO 0.03 -2.82 0.86 -0.13 0.70 0.00 0.00 175.17 173.81 3i2k s ARG 534 N -4.77 4.64 0.19 2.11 0.52 -1.26 -4.83 118.95 115.55 3i2k s ARG 534 Ca 0.65 1.28 -0.30 0.00 -0.52 0.00 0.00 55.73 56.83 3i2k s ARG 534 Cb -0.20 -3.33 -0.08 0.00 0.52 0.00 0.00 34.95 31.86 3i2k s ARG 534 CO 0.58 0.37 1.09 1.21 0.02 0.00 0.00 175.30 178.58 3i2k s ASN 535 N -0.49 7.28 0.05 0.23 3.84 -1.26 -4.94 114.94 119.65 3i2k s ASN 535 Ca 0.41 2.10 0.28 0.00 0.21 0.00 0.00 52.86 55.86 3i2k s ASN 535 Cb -0.23 -2.61 1.10 0.00 -0.55 0.00 0.00 41.25 38.97 3i2k s ASN 535 CO 0.27 -0.20 1.87 -1.54 -2.79 0.00 0.00 177.10 174.71 3i2k n SER 536 N 2.24 0.21 -2.04 -4.21 3.41 -1.26 -4.68 113.62 107.29 3i2k n SER 536 Ca 0.02 0.48 -0.20 0.00 -0.26 0.00 0.00 58.87 58.92 3i2k n SER 536 Cb 0.46 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 3i2k n SER 536 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i2k n ASN 537 N -1.68 -5.55 -0.01 4.04 3.02 -1.26 -1.26 115.26 112.56 3i2k n ASN 537 Ca 0.07 0.11 0.02 0.00 -0.03 0.00 0.00 54.58 54.75 3i2k n ASN 537 Cb 0.36 -4.64 -0.06 0.00 -0.61 0.00 0.00 39.78 34.83 3i2k n ASN 537 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3i2k n THR 538 N -3.61 0.11 -0.82 3.41 -2.24 -1.26 -4.49 114.28 105.39 3i2k n THR 538 Ca -0.22 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3i2k n THR 538 Cb 0.67 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3i2k n THR 538 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2k n GLY 539 N 2.16 0.81 0.46 3.38 0.00 -1.26 -4.80 105.19 105.92 3i2k n GLY 539 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 3i2k n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2k n GLY 540 N -2.27 -0.45 3.52 -0.02 0.00 -1.26 -4.98 105.19 99.73 3i2k n GLY 540 Ca 0.00 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3i2k n GLY 540 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2k s VAL 541 N -0.90 3.94 0.21 1.61 1.01 -1.26 -4.90 120.40 120.10 3i2k s VAL 541 Ca 0.09 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 3i2k s VAL 541 Cb -0.00 -4.84 0.14 0.00 0.00 0.00 0.00 36.38 31.67 3i2k s VAL 541 CO 0.06 -1.73 1.79 0.40 0.00 0.00 0.00 175.10 175.62 3i2k h ILE 542 N 6.03 0.90 0.00 2.22 2.04 -1.96 -0.74 117.51 126.00 3i2k h ILE 542 Ca -0.27 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3i2k h ILE 542 Cb 1.06 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3i2k h ILE 542 CO 1.25 0.11 0.00 0.00 0.00 0.00 0.00 178.15 179.51 3i2k n ALA 543 N -2.38 1.70 0.73 1.87 0.00 -1.26 -2.35 120.51 118.81 3i2k n ALA 543 Ca 0.08 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.60 3i2k n ALA 543 Cb 0.21 -1.27 0.11 0.00 0.00 0.00 0.00 19.45 18.49 3i2k n ALA 543 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i2k n ARG 544 N -1.63 1.97 -3.36 0.00 5.12 -0.29 -1.17 116.66 117.31 3i2k n ARG 544 Ca 0.03 -1.82 -0.38 0.00 -1.93 0.00 0.00 57.85 53.75 3i2k n ARG 544 Cb 0.19 -1.41 -0.06 0.00 -1.16 0.00 0.00 32.46 30.02 3i2k n ARG 544 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3i2k s GLU 545 N -1.64 4.11 0.49 5.56 2.02 -0.99 -4.79 118.70 123.45 3i2k s GLU 545 Ca 0.26 0.60 -0.21 0.00 0.02 0.00 0.00 54.97 55.65 3i2k s GLU 545 Cb 0.18 -3.25 -0.08 0.00 0.10 0.00 0.00 34.13 31.08 3i2k s GLU 545 CO 0.26 0.62 1.07 -0.65 0.02 0.00 0.00 175.26 176.59 3i2k s GLN 546 N -0.97 3.72 0.26 1.61 -1.52 -1.26 -3.99 119.66 117.51 3i2k s GLN 546 Ca 0.27 1.48 -0.01 0.00 -1.95 0.00 0.00 55.36 55.15 3i2k s GLN 546 Cb -0.18 -2.15 0.54 0.00 -0.22 0.00 0.00 33.01 31.00 3i2k s GLN 546 CO 0.16 -0.52 1.75 1.25 -0.25 0.00 0.00 175.29 177.69 3i2k h LEU 547 N 1.62 0.46 -2.08 2.90 5.85 -1.96 -0.93 115.31 121.18 3i2k h LEU 547 Ca -0.49 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3i2k h LEU 547 Cb 1.23 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3i2k h LEU 547 CO 0.59 0.18 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.70 3i2k h GLU 548 N 0.57 0.00 0.00 1.25 4.57 -2.00 -1.56 114.58 117.41 3i2k h GLU 548 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 3i2k h GLU 548 Cb 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 3i2k h GLU 548 CO -0.39 0.08 0.00 0.93 -1.18 0.00 0.00 179.01 178.46 3i2k h GLU 549 N 0.00 0.00 -7.35 1.92 5.08 -1.55 -3.46 114.58 109.22 3i2k h GLU 549 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3i2k h GLU 549 Cb 0.23 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.58 3i2k h GLU 549 CO 0.01 0.00 0.37 -1.64 -1.00 0.00 0.00 179.01 176.75 3i2k s MET 550 N -3.16 2.83 0.16 2.33 -1.94 -0.59 -4.97 119.30 113.96 3i2k s MET 550 Ca 0.09 0.89 0.11 0.00 -1.71 0.00 0.00 55.69 55.07 3i2k s MET 550 Cb 0.10 -1.98 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 3i2k s MET 550 CO 0.61 -1.16 -0.25 0.00 -0.01 0.00 0.00 175.02 174.21 3i2k s THR 552 N -1.38 4.33 -0.02 0.00 -4.23 -1.26 -4.44 115.64 108.63 3i2k s THR 552 Ca 0.18 0.83 0.02 0.00 -1.18 0.00 0.00 61.69 61.54 3i2k s THR 552 Cb -0.09 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.14 3i2k s THR 552 CO 0.08 -0.92 -0.07 0.00 -0.54 0.00 0.00 174.62 173.17 3i2k s ALA 553 N -2.99 0.73 -0.42 3.99 0.00 -0.30 -4.88 121.76 117.88 3i2k s ALA 553 Ca 0.58 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 3i2k s ALA 553 Cb -0.13 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.73 3i2k s ALA 553 CO 0.50 0.11 0.67 0.08 0.00 0.00 0.00 175.76 177.12 3i2k s VAL 554 N 0.25 4.80 0.05 0.00 1.01 -1.26 -0.40 120.40 124.84 3i2k s VAL 554 Ca -0.03 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.28 3i2k s VAL 554 Cb -0.08 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3i2k s VAL 554 CO 0.00 -0.56 -0.06 0.20 0.00 0.00 0.00 175.10 174.68 3i2k s ASN 555 N 1.99 4.64 -0.01 3.32 0.02 -0.06 -1.41 114.94 123.42 3i2k s ASN 555 Ca 0.25 -0.21 0.01 0.00 -1.02 0.00 0.00 52.86 51.88 3i2k s ASN 555 Cb -0.14 -1.04 0.00 0.00 0.02 0.00 0.00 41.25 40.10 3i2k s ASN 555 CO 0.19 0.24 -0.04 -0.13 0.02 0.00 0.00 177.10 177.37 3i2k s ARG 556 N -1.79 0.42 -0.23 -0.60 0.52 -0.14 -1.31 118.95 115.82 3i2k s ARG 556 Ca 0.20 -0.13 -0.07 0.00 -0.52 0.00 0.00 55.73 55.21 3i2k s ARG 556 Cb -0.11 -0.44 -0.03 0.00 0.52 0.00 0.00 34.95 34.89 3i2k s ARG 556 CO 0.11 0.05 0.06 0.42 0.02 0.00 0.00 175.30 175.96 3i2k s ILE 557 N 0.16 4.36 -0.10 1.52 -1.09 0.10 -1.47 121.20 124.67 3i2k s ILE 557 Ca -0.01 -0.16 -0.10 0.00 -2.23 0.00 0.00 60.65 58.14 3i2k s ILE 557 Cb -0.05 -3.01 -0.05 0.00 -1.58 0.00 0.00 42.46 37.77 3i2k s ILE 557 CO -0.00 0.37 0.22 -1.00 -1.23 0.00 0.00 174.94 173.30 3i2k s HIS 558 N 1.27 3.60 -0.12 3.97 3.76 0.43 -1.00 115.29 127.20 3i2k s HIS 558 Ca 0.05 0.63 -0.08 0.00 -0.15 0.00 0.00 55.06 55.50 3i2k s HIS 558 Cb -0.15 -2.09 0.04 0.00 1.11 0.00 0.00 32.58 31.50 3i2k s HIS 558 CO 0.03 0.62 0.30 -0.98 -0.85 0.00 0.00 174.74 173.86 3i2k s ARG 559 N -0.75 0.30 0.00 1.40 1.70 -0.35 -4.24 118.95 117.01 3i2k s ARG 559 Ca 0.17 0.51 0.00 0.00 -0.47 0.00 0.00 55.73 55.93 3i2k s ARG 559 Cb -0.13 0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.29 3i2k s ARG 559 CO 0.06 -0.10 0.00 0.41 -1.08 0.00 0.00 175.30 174.59 3i2k n GLY 560 N 3.57 -0.91 0.35 3.88 0.00 -0.87 -0.44 105.19 110.77 3i2k n GLY 560 Ca -0.19 -1.32 -0.02 0.00 0.00 0.00 0.00 46.02 44.49 3i2k n GLY 560 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i2k h PRO 561 N 1.09 1.09 0.00 1.61 0.11 -1.77 -2.60 132.00 131.53 3i2k h PRO 561 Ca 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3i2k h PRO 561 Cb 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.89 3i2k h PRO 561 CO 0.00 0.78 -0.66 0.39 -0.21 0.00 0.00 178.00 178.30 3i2k n GLU 562 N -4.36 0.27 -3.27 1.05 -0.58 -1.26 -4.40 120.64 108.10 3i2k n GLU 562 Ca 0.08 0.07 -0.25 0.00 -0.42 0.00 0.00 57.16 56.64 3i2k n GLU 562 Cb 0.09 -1.66 -0.07 0.00 -0.57 0.00 0.00 31.44 29.22 3i2k n GLU 562 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3i2k n HIS 563 N -2.05 0.79 -1.55 -0.32 8.25 -1.07 -5.04 115.22 114.23 3i2k n HIS 563 Ca 0.03 -3.73 -0.41 0.00 -0.26 0.00 0.00 57.72 53.36 3i2k n HIS 563 Cb 0.43 -0.40 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 3i2k n HIS 563 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3i2k n PRO 564 N 1.29 3.19 -1.68 -0.41 -0.04 -1.00 -2.05 135.00 134.31 3i2k n PRO 564 Ca 0.24 -2.42 -0.44 0.00 -0.04 0.00 0.00 63.50 60.84 3i2k n PRO 564 Cb 0.49 -3.08 -0.01 0.00 -0.04 0.00 0.00 33.50 30.86 3i2k n PRO 564 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3i2k n SER 565 N 5.05 2.58 -3.47 3.54 7.64 -1.26 -4.92 113.62 122.79 3i2k n SER 565 Ca 0.63 1.18 -0.11 0.00 1.01 0.00 0.00 58.87 61.58 3i2k n SER 565 Cb 0.32 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.06 3i2k n SER 565 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3i2k s HIS 566 N -0.72 -0.50 -0.11 1.43 -3.43 -0.06 -1.53 115.29 110.36 3i2k s HIS 566 Ca 0.60 0.26 -0.07 0.00 -0.80 0.00 0.00 55.06 55.05 3i2k s HIS 566 Cb -0.61 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.06 3i2k s HIS 566 CO 0.58 -0.88 0.15 -1.50 -2.00 0.00 0.00 174.74 171.08 3i2k s ILE 567 N -3.77 5.50 -0.37 -5.38 2.07 -0.35 -0.49 121.20 118.41 3i2k s ILE 567 Ca 0.02 0.20 -0.15 0.00 -1.41 0.00 0.00 60.65 59.31 3i2k s ILE 567 Cb -0.01 -3.41 0.00 0.00 0.13 0.00 0.00 42.46 39.16 3i2k s ILE 567 CO -0.11 0.60 0.33 -0.69 -1.91 0.00 0.00 174.94 173.17 3i2k s VAL 568 N -1.05 5.20 -0.17 4.00 1.01 0.60 -0.14 120.40 129.86 3i2k s VAL 568 Ca 0.16 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 3i2k s VAL 568 Cb -0.12 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3i2k s VAL 568 CO 0.05 -0.19 0.09 -0.76 0.00 0.00 0.00 175.10 174.29 3i2k s LEU 569 N 1.90 4.03 -1.04 3.92 1.43 -0.25 -3.34 118.68 125.33 3i2k s LEU 569 Ca 0.09 0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 53.17 3i2k s LEU 569 Cb -0.17 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 44.08 3i2k s LEU 569 CO 0.11 0.24 1.51 -2.16 0.23 0.00 0.00 176.35 176.29 3i2k s PRO 570 N -0.03 3.54 -0.02 1.29 0.04 -1.26 -0.75 135.00 137.81 3i2k s PRO 570 Ca 0.08 -1.13 -0.28 0.00 0.04 0.00 0.00 61.00 59.71 3i2k s PRO 570 Cb -0.12 -5.35 -0.03 0.00 0.04 0.00 0.00 34.50 29.04 3i2k s PRO 570 CO 0.00 -2.31 0.90 0.42 0.04 0.00 0.00 177.00 176.05 3i2k s ILE 571 N 5.33 4.92 -0.16 0.56 -1.09 -0.13 -1.38 121.20 129.24 3i2k s ILE 571 Ca 0.49 1.89 -0.00 0.00 -2.23 0.00 0.00 60.65 60.79 3i2k s ILE 571 Cb -0.00 -4.24 -0.00 0.00 -1.58 0.00 0.00 42.46 36.63 3i2k s ILE 571 CO -0.08 0.19 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.06 3i2k s ILE 572 N 0.94 2.82 -0.16 2.92 -1.09 -0.36 -1.28 121.20 124.99 3i2k s ILE 572 Ca 0.48 -0.71 -0.00 0.00 -2.23 0.00 0.00 60.65 58.18 3i2k s ILE 572 Cb -0.20 -2.21 -0.00 0.00 -1.58 0.00 0.00 42.46 38.47 3i2k s ILE 572 CO 0.25 0.50 -0.14 -0.75 -1.23 0.00 0.00 174.94 173.57 3i2k s LYS 573 N 0.87 3.24 0.16 2.79 2.47 -1.26 -4.00 119.74 124.01 3i2k s LYS 573 Ca -0.04 -0.74 -0.01 0.00 -1.56 0.00 0.00 55.97 53.62 3i2k s LYS 573 Cb -0.15 -2.65 -0.04 0.00 -1.46 0.00 0.00 37.83 33.53 3i2k s LYS 573 CO -0.00 0.02 0.09 1.03 0.16 0.00 0.00 175.35 176.65 3i2k s ARG 574 N 0.81 1.04 0.00 4.03 0.52 -1.26 -5.13 118.95 118.96 3i2k s ARG 574 Ca -0.05 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 53.66 3i2k s ARG 574 Cb -0.15 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.58 3i2k s ARG 574 CO 0.00 -0.32 0.00 1.63 0.02 0.00 0.00 175.30 176.63