#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a71 n SER 10 N 0.00 1.56 -0.21 0.00 3.41 -1.26 -3.94 113.62 113.19 2a71 n SER 10 Ca 0.00 -1.92 0.05 0.00 -0.26 0.00 0.00 58.87 56.74 2a71 n SER 10 Cb 0.00 -0.18 0.10 0.00 -0.26 0.00 0.00 64.21 63.87 2a71 n SER 10 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2a71 n LYS 11 N 0.33 2.40 -2.39 4.33 4.76 -1.26 -5.03 118.16 121.30 2a71 n LYS 11 Ca 0.11 -2.08 -0.43 0.00 -2.87 0.00 0.00 58.31 53.04 2a71 n LYS 11 Cb 0.26 -1.30 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 2a71 n LYS 11 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2a71 s LEU 12 N -1.83 3.97 -0.16 -0.35 2.96 -1.25 -1.39 118.68 120.62 2a71 s LEU 12 Ca 0.18 1.38 -0.27 0.00 -0.22 0.00 0.00 54.13 55.21 2a71 s LEU 12 Cb 0.15 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.29 2a71 s LEU 12 CO 0.04 -1.01 0.90 -0.44 -1.32 0.00 0.00 176.35 174.52 2a71 s SER 13 N 2.71 7.03 0.33 3.68 0.01 -0.86 -4.96 113.70 121.65 2a71 s SER 13 Ca 0.57 1.28 0.18 0.00 1.31 0.00 0.00 55.95 59.29 2a71 s SER 13 Cb -0.19 -2.49 0.28 0.00 0.21 0.00 0.00 66.02 63.83 2a71 s SER 13 CO 0.21 -0.45 1.55 -1.28 0.41 0.00 0.00 173.24 173.69 2a71 h SER 14 N 7.30 0.00 -0.14 2.44 0.87 -1.92 -3.24 113.55 118.86 2a71 h SER 14 Ca -0.28 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.07 2a71 h SER 14 Cb 1.12 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2a71 h SER 14 CO 0.86 0.38 -0.71 0.44 -0.53 0.00 0.00 176.83 177.27 2a71 h ASP 15 N 0.00 0.90 -0.51 6.23 3.45 -1.97 -3.21 116.42 121.31 2a71 h ASP 15 Ca -0.00 -0.56 0.00 0.00 0.43 0.00 0.00 57.03 56.90 2a71 h ASP 15 Cb 1.20 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 2a71 h ASP 15 CO 0.05 1.35 0.00 -1.22 -1.57 0.00 0.00 179.24 177.85 2a71 n TYR 16 N -3.95 1.58 -4.41 4.55 4.01 -1.25 -4.91 117.16 112.79 2a71 n TYR 16 Ca -0.06 -0.57 -0.21 0.00 -0.16 0.00 0.00 57.90 56.90 2a71 n TYR 16 Cb 0.71 -0.36 -0.10 0.00 -0.31 0.00 0.00 39.34 39.27 2a71 n TYR 16 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2a71 s SER 17 N -0.72 2.98 -0.21 7.72 0.01 -1.21 -4.32 113.70 117.94 2a71 s SER 17 Ca 0.45 -1.06 -0.08 0.00 1.31 0.00 0.00 55.95 56.57 2a71 s SER 17 Cb 0.32 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 2a71 s SER 17 CO 0.16 -0.14 0.07 -0.22 0.41 0.00 0.00 173.24 173.53 2a71 s LEU 18 N -3.41 3.70 1.21 2.44 2.96 -0.13 -4.95 118.68 120.49 2a71 s LEU 18 Ca 0.26 -0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.97 2a71 s LEU 18 Cb -0.01 -1.96 0.25 0.00 0.50 0.00 0.00 46.19 44.97 2a71 s LEU 18 CO 0.11 0.09 0.53 -2.65 -1.32 0.00 0.00 176.35 173.10 2a71 n PRO 19 N 4.12 -3.06 -1.65 0.98 -0.02 -1.26 -4.10 135.00 130.01 2a71 n PRO 19 Ca -0.16 -0.90 -0.48 0.00 -2.02 0.00 0.00 63.50 59.94 2a71 n PRO 19 Cb 0.52 -1.74 -0.05 0.00 -0.02 0.00 0.00 33.50 32.21 2a71 n PRO 19 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2a71 n ASP 20 N -3.28 2.70 -0.11 2.55 -0.08 -1.26 -4.70 116.55 112.38 2a71 n ASP 20 Ca 0.07 1.08 -0.24 0.00 -1.51 0.00 0.00 54.79 54.19 2a71 n ASP 20 Cb 0.50 -1.35 -0.11 0.00 2.34 0.00 0.00 41.12 42.50 2a71 n ASP 20 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2a71 n LEU 21 N 3.56 2.26 -4.65 -2.67 4.77 -1.26 -4.75 117.00 114.26 2a71 n LEU 21 Ca 0.18 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.98 2a71 n LEU 21 Cb 0.26 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2a71 n LEU 21 CO 0.65 0.62 0.72 0.00 -1.33 0.00 0.00 177.39 178.05 2a71 n ILE 22 N -3.97 2.28 -3.26 -0.08 0.13 -0.89 -2.58 119.36 110.99 2a71 n ILE 22 Ca -0.44 -0.50 -0.19 0.00 -1.10 0.00 0.00 62.75 60.53 2a71 n ILE 22 Cb 0.88 -1.32 0.01 0.00 -0.84 0.00 0.00 39.64 38.38 2a71 n ILE 22 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 2a71 n ASN 23 N 0.63 -6.65 -3.64 9.51 3.02 -1.26 -4.99 115.26 111.88 2a71 n ASN 23 Ca 0.08 -0.06 -0.06 0.00 -0.03 0.00 0.00 54.58 54.50 2a71 n ASN 23 Cb 0.37 -3.61 -0.07 0.00 -0.61 0.00 0.00 39.78 35.86 2a71 n ASN 23 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a71 s THR 24 N -2.42 0.00 -0.04 3.41 2.01 -1.07 -5.03 115.64 112.50 2a71 s THR 24 Ca 0.19 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.18 2a71 s THR 24 Cb -0.03 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 2a71 s THR 24 CO 0.82 0.00 0.08 -0.09 -0.69 0.00 0.00 174.62 174.74 2a71 h ARG 25 N 6.88 -0.04 -6.33 4.92 2.43 -1.96 -3.47 114.38 116.81 2a71 h ARG 25 Ca -0.30 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.28 2a71 h ARG 25 Cb 1.23 0.01 -0.20 0.00 -0.42 0.00 0.00 29.97 30.59 2a71 h ARG 25 CO 0.16 -0.02 -0.82 0.15 -1.51 0.00 0.00 179.97 177.93 2a71 s LYS 26 N -1.43 1.32 -0.16 0.20 1.02 -1.26 -5.04 119.74 114.39 2a71 s LYS 26 Ca -0.01 -1.36 -0.36 0.00 0.02 0.00 0.00 55.97 54.27 2a71 s LYS 26 Cb 0.00 -1.57 -0.12 0.00 -0.52 0.00 0.00 37.83 35.61 2a71 s LYS 26 CO 0.02 0.35 1.89 0.28 -0.92 0.00 0.00 175.35 176.96 2a71 n VAL 27 N 0.61 0.48 -1.65 3.17 0.31 -1.26 -4.79 118.33 115.20 2a71 n VAL 27 Ca -0.16 -0.11 -0.60 0.00 -0.01 0.00 0.00 64.34 63.46 2a71 n VAL 27 Cb 0.55 -1.72 -0.08 0.00 -0.91 0.00 0.00 33.84 31.69 2a71 n VAL 27 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2a71 n PRO 28 N 6.54 0.50 0.27 5.55 -0.02 -1.26 -4.80 135.00 141.78 2a71 n PRO 28 Ca 0.25 0.18 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 2a71 n PRO 28 Cb 0.25 -1.75 0.62 0.00 -0.02 0.00 0.00 33.50 32.59 2a71 n PRO 28 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2a71 h ASN 29 N 4.95 0.00 -0.08 2.55 -1.24 -2.02 0.32 115.58 120.05 2a71 h ASN 29 Ca -0.47 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.54 2a71 h ASN 29 Cb 1.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.42 2a71 h ASN 29 CO 0.85 0.00 0.00 -0.46 -1.29 0.00 0.00 177.43 176.53 2a71 n ASN 30 N -2.55 1.41 -4.41 1.15 6.94 -1.26 -4.85 115.26 111.68 2a71 n ASN 30 Ca -0.02 -1.55 -0.23 0.00 -0.02 0.00 0.00 54.58 52.76 2a71 n ASN 30 Cb 0.37 -0.04 -0.11 0.00 -2.36 0.00 0.00 39.78 37.64 2a71 n ASN 30 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2a71 s TRP 31 N -1.91 2.10 -0.02 -2.53 0.52 0.11 -1.90 118.94 115.31 2a71 s TRP 31 Ca 0.36 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 56.09 2a71 s TRP 31 Cb 0.19 -0.98 0.01 0.00 -1.15 0.00 0.00 33.47 31.54 2a71 s TRP 31 CO 0.30 0.52 -0.04 -1.14 0.02 0.00 0.00 176.95 176.61 2a71 s GLN 32 N -3.16 0.51 0.37 4.98 0.74 -0.53 -4.76 119.66 117.80 2a71 s GLN 32 Ca 0.23 -0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.55 2a71 s GLN 32 Cb -0.05 -0.53 -0.01 0.00 1.10 0.00 0.00 33.01 33.51 2a71 s GLN 32 CO 0.11 0.02 0.54 0.95 -0.55 0.00 0.00 175.29 176.36 2a71 s THR 33 N 0.35 4.43 -0.01 -0.34 -4.23 -1.26 -1.92 115.64 112.65 2a71 s THR 33 Ca -0.04 -0.70 -0.12 0.00 -1.18 0.00 0.00 61.69 59.65 2a71 s THR 33 Cb -0.07 -3.59 0.01 0.00 1.34 0.00 0.00 72.50 70.19 2a71 s THR 33 CO -0.00 -0.33 0.24 -0.83 -0.54 0.00 0.00 174.62 173.16 2a71 s GLY 34 N -4.13 -0.08 0.00 3.99 0.00 -0.65 -4.95 107.32 101.50 2a71 s GLY 34 Ca 0.44 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.30 2a71 s GLY 34 CO 0.34 -0.03 0.00 1.18 0.00 0.00 0.00 173.10 174.59 2a71 n GLU 35 N 1.35 0.00 -0.74 2.90 4.71 -1.26 -1.82 120.64 125.78 2a71 n GLU 35 Ca -0.22 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 56.96 2a71 n GLU 35 Cb 0.56 0.00 0.31 0.00 -1.01 0.00 0.00 31.44 31.29 2a71 n GLU 35 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2a71 n GLN 36 N 13.88 3.91 -2.41 3.49 6.02 -0.88 -4.92 117.38 136.46 2a71 n GLN 36 Ca 0.00 -2.50 -0.42 0.00 -0.01 0.00 0.00 57.00 54.07 2a71 n GLN 36 Cb 0.00 -2.10 -0.03 0.00 1.02 0.00 0.00 30.24 29.13 2a71 n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a71 s ALA 37 N -2.42 3.42 0.19 -1.58 0.00 -1.11 -4.77 121.76 115.49 2a71 s ALA 37 Ca 0.44 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 53.19 2a71 s ALA 37 Cb 0.34 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2a71 s ALA 37 CO 0.12 -0.51 0.15 -1.54 0.00 0.00 0.00 175.76 173.98 2a71 s SER 38 N 1.17 0.15 -0.49 0.00 1.04 -1.07 -4.58 113.70 109.92 2a71 s SER 38 Ca 0.59 -1.30 -0.17 0.00 0.48 0.00 0.00 55.95 55.55 2a71 s SER 38 Cb -0.29 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.29 2a71 s SER 38 CO 0.28 -0.85 0.47 -0.22 0.98 0.00 0.00 173.24 173.90 2a71 s LEU 39 N -3.12 5.45 0.00 2.42 0.20 -1.26 -1.72 118.68 120.65 2a71 s LEU 39 Ca 0.34 -1.23 0.00 0.00 0.69 0.00 0.00 54.13 53.94 2a71 s LEU 39 Cb 0.06 -2.26 0.00 0.00 -0.43 0.00 0.00 46.19 43.56 2a71 s LEU 39 CO 0.10 -0.73 0.00 -0.62 -0.29 0.00 0.00 176.35 174.80 2a71 n GLU 40 N 5.51 0.00 -2.65 1.98 -0.58 -0.93 -4.93 120.64 119.03 2a71 n GLU 40 Ca -0.11 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.21 2a71 n GLU 40 Cb 0.44 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.30 2a71 n GLU 40 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2a71 s GLU 41 N 3.19 3.90 0.00 3.49 2.56 -1.26 -4.20 118.70 126.37 2a71 s GLU 41 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 54.97 53.09 2a71 s GLU 41 Cb 0.00 -5.39 0.00 0.00 2.00 0.00 0.00 34.13 30.74 2a71 s GLU 41 CO 0.00 -2.15 0.00 0.41 -0.56 0.00 0.00 175.26 172.96 2a71 n GLY 42 N 5.53 0.94 3.20 -1.50 0.00 -1.26 -4.95 105.19 107.15 2a71 n GLY 42 Ca 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 2a71 n GLY 42 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a71 s ARG 43 N -0.29 0.90 -0.31 1.61 3.03 -1.26 -2.09 118.95 120.55 2a71 s ARG 43 Ca 0.00 -1.19 -0.21 0.00 2.03 0.00 0.00 55.73 56.36 2a71 s ARG 43 Cb 0.00 -0.64 -0.01 0.00 -1.03 0.00 0.00 34.95 33.28 2a71 s ARG 43 CO 0.00 0.11 0.66 0.42 -1.13 0.00 0.00 175.30 175.36 2a71 s ILE 44 N -2.40 4.90 -0.39 4.99 1.01 0.31 -2.20 121.20 127.43 2a71 s ILE 44 Ca 0.07 0.91 -0.24 0.00 0.00 0.00 0.00 60.65 61.39 2a71 s ILE 44 Cb -0.03 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.42 2a71 s ILE 44 CO 0.01 -0.17 0.82 -0.69 0.00 0.00 0.00 174.94 174.91 2a71 s VAL 45 N 2.69 4.67 -0.00 2.92 1.01 -0.70 -0.02 120.40 130.97 2a71 s VAL 45 Ca 0.27 0.86 -0.19 0.00 0.00 0.00 0.00 61.98 62.91 2a71 s VAL 45 Cb -0.15 -4.27 -0.27 0.00 0.00 0.00 0.00 36.38 31.69 2a71 s VAL 45 CO 0.12 -0.53 1.03 -0.07 0.00 0.00 0.00 175.10 175.66 2a71 h LEU 46 N 9.93 0.58 -8.57 3.92 3.38 -0.41 -2.84 115.31 121.30 2a71 h LEU 46 Ca -0.24 -0.83 -0.42 0.00 0.09 0.00 0.00 57.88 56.47 2a71 h LEU 46 Cb 1.09 -0.18 -0.19 0.00 0.09 0.00 0.00 40.66 41.46 2a71 h LEU 46 CO 0.94 1.36 -0.77 0.42 0.09 0.00 0.00 178.44 180.48 2a71 s THR 47 N -2.91 1.30 0.32 0.22 -4.23 -1.15 -3.04 115.64 106.15 2a71 s THR 47 Ca -0.13 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 2a71 s THR 47 Cb 0.03 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.43 2a71 s THR 47 CO 0.85 -0.36 0.00 -0.24 -0.54 0.00 0.00 174.62 174.33 2a71 n SER 48 N 0.71 -1.35 -4.79 3.99 2.88 -1.26 -3.41 113.62 110.39 2a71 n SER 48 Ca -0.17 0.58 -0.23 0.00 -1.33 0.00 0.00 58.87 57.72 2a71 n SER 48 Cb 0.56 1.42 0.08 0.00 -0.75 0.00 0.00 64.21 65.53 2a71 n SER 48 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2a71 s ASN 49 N -4.08 4.68 0.28 -3.46 4.22 -1.26 -4.62 114.94 110.70 2a71 s ASN 49 Ca 0.00 -0.16 -0.30 0.00 -2.14 0.00 0.00 52.86 50.25 2a71 s ASN 49 Cb 0.00 -0.40 -0.12 0.00 1.28 0.00 0.00 41.25 42.01 2a71 s ASN 49 CO 0.00 -1.62 1.53 0.00 -2.04 0.00 0.00 177.10 174.97 2a71 n GLN 50 N -2.70 2.48 -4.16 3.55 6.02 -1.26 -2.48 117.38 118.83 2a71 n GLN 50 Ca 0.12 0.88 -0.35 0.00 -0.01 0.00 0.00 57.00 57.65 2a71 n GLN 50 Cb 0.60 -2.62 -0.02 0.00 1.02 0.00 0.00 30.24 29.22 2a71 n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2a71 n ASN 51 N 2.06 -3.18 -4.89 1.08 5.15 -1.13 -4.97 115.26 109.38 2a71 n ASN 51 Ca 0.09 -0.98 -0.30 0.00 -0.60 0.00 0.00 54.58 52.79 2a71 n ASN 51 Cb 0.35 -2.92 -0.04 0.00 -0.53 0.00 0.00 39.78 36.64 2a71 n ASN 51 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2a71 s SER 52 N -3.41 6.52 0.05 1.20 1.04 -1.04 -4.89 113.70 113.18 2a71 s SER 52 Ca 0.66 0.79 -0.00 0.00 0.48 0.00 0.00 55.95 57.87 2a71 s SER 52 Cb -0.35 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 2a71 s SER 52 CO 0.91 -0.13 -0.04 -1.59 0.98 0.00 0.00 173.24 173.37 2a71 s LYS 53 N -3.21 0.57 -0.05 4.02 -2.85 -1.26 -2.23 119.74 114.73 2a71 s LYS 53 Ca 0.45 -1.08 -0.30 0.00 -1.00 0.00 0.00 55.97 54.05 2a71 s LYS 53 Cb -0.11 0.10 0.09 0.00 -2.06 0.00 0.00 37.83 35.85 2a71 s LYS 53 CO 0.26 -0.08 0.76 0.20 0.10 0.00 0.00 175.35 176.60 2a71 s GLY 54 N -2.55 -0.50 0.09 0.59 0.00 -0.60 -2.07 107.32 102.28 2a71 s GLY 54 Ca 0.02 1.37 0.03 0.00 0.00 0.00 0.00 44.72 46.14 2a71 s GLY 54 CO -0.07 0.84 -0.09 -1.35 0.00 0.00 0.00 173.10 172.44 2a71 s SER 55 N -1.44 1.27 -0.26 1.64 1.04 -0.75 -1.90 113.70 113.29 2a71 s SER 55 Ca -0.06 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.52 2a71 s SER 55 Cb -0.00 0.04 0.15 0.00 0.10 0.00 0.00 66.02 66.30 2a71 s SER 55 CO 0.04 -0.32 0.42 -0.22 0.98 0.00 0.00 173.24 174.14 2a71 s LEU 56 N -2.51 -0.78 0.22 2.42 2.96 -0.56 -1.63 118.68 118.79 2a71 s LEU 56 Ca 0.05 0.13 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 2a71 s LEU 56 Cb -0.01 1.25 -0.05 0.00 0.50 0.00 0.00 46.19 47.88 2a71 s LEU 56 CO -0.01 -0.31 -0.07 0.26 -1.32 0.00 0.00 176.35 174.89 2a71 s TRP 57 N 2.59 1.67 0.18 5.38 0.52 -0.81 -1.30 118.94 127.16 2a71 s TRP 57 Ca 0.13 -0.73 -0.25 0.00 0.02 0.00 0.00 56.10 55.26 2a71 s TRP 57 Cb -0.14 -0.89 -0.08 0.00 -1.15 0.00 0.00 33.47 31.20 2a71 s TRP 57 CO -0.21 0.18 0.78 -0.51 0.02 0.00 0.00 176.95 177.22 2a71 s LEU 58 N -3.33 4.57 0.15 2.99 1.43 -0.89 -1.46 118.68 122.15 2a71 s LEU 58 Ca 0.25 1.64 -0.08 0.00 -1.03 0.00 0.00 54.13 54.91 2a71 s LEU 58 Cb 0.03 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 42.89 2a71 s LEU 58 CO 0.08 0.19 1.44 0.11 0.23 0.00 0.00 176.35 178.40 2a71 h LYS 59 N 4.22 0.75 -5.75 1.70 1.57 -1.71 -3.44 116.57 113.92 2a71 h LYS 59 Ca -0.47 -0.48 -0.62 0.00 -1.87 0.00 0.00 60.65 57.20 2a71 h LYS 59 Cb 1.20 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 2a71 h LYS 59 CO 0.66 1.11 -0.32 -0.65 -0.57 0.00 0.00 179.45 179.68 2a71 s GLN 60 N -4.06 3.87 1.25 3.15 -1.52 -1.26 -4.79 119.66 116.30 2a71 s GLN 60 Ca -0.09 0.16 -0.16 0.00 -1.95 0.00 0.00 55.36 53.31 2a71 s GLN 60 Cb 0.10 -3.27 0.29 0.00 -0.22 0.00 0.00 33.01 29.92 2a71 s GLN 60 CO 0.87 0.59 0.81 0.41 -0.25 0.00 0.00 175.29 177.72 2a71 n GLY 61 N 2.32 -2.61 2.96 3.09 0.00 -1.26 -4.90 105.19 104.79 2a71 n GLY 61 Ca -0.15 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 2a71 n GLY 61 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a71 s PHE 62 N -2.29 1.39 -0.28 1.61 5.36 -0.69 -4.88 117.98 118.19 2a71 s PHE 62 Ca 0.66 -0.59 -0.23 0.00 -0.96 0.00 0.00 56.93 55.81 2a71 s PHE 62 Cb -0.20 -1.10 -0.00 0.00 -0.34 0.00 0.00 43.02 41.38 2a71 s PHE 62 CO 0.63 -0.37 0.77 0.34 -1.46 0.00 0.00 175.22 175.13 2a71 s ASP 63 N 1.13 6.69 -0.70 6.13 3.68 -1.26 -1.28 116.67 131.05 2a71 s ASP 63 Ca -0.06 0.75 -0.13 0.00 2.13 0.00 0.00 52.55 55.24 2a71 s ASP 63 Cb -0.14 -2.40 0.18 0.00 -1.45 0.00 0.00 42.92 39.11 2a71 s ASP 63 CO -0.02 -0.56 0.63 -0.22 0.13 0.00 0.00 175.17 175.14 2a71 s LEU 64 N 2.86 6.38 -0.00 -1.34 2.96 -1.17 -4.90 118.68 123.47 2a71 s LEU 64 Ca 0.32 -2.39 -0.07 0.00 -0.22 0.00 0.00 54.13 51.77 2a71 s LEU 64 Cb -0.15 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 2a71 s LEU 64 CO 0.11 -0.64 0.66 0.11 -1.32 0.00 0.00 176.35 175.26 2a71 h LYS 65 N 8.07 -0.24 0.00 1.98 1.79 -1.93 -3.38 116.57 122.86 2a71 h LYS 65 Ca -0.04 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2a71 h LYS 65 Cb 1.05 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2a71 h LYS 65 CO 0.84 -0.16 0.00 -0.40 -1.08 0.00 0.00 179.45 178.65 2a71 n ASP 66 N -3.08 0.00 -4.88 0.86 5.75 -1.26 -4.89 116.55 109.05 2a71 n ASP 66 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.54 2a71 n ASP 66 Cb 0.10 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 2a71 n ASP 66 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2a71 s SER 67 N 1.00 5.59 0.33 -1.12 0.01 -1.26 -4.75 113.70 113.50 2a71 s SER 67 Ca 0.00 -0.30 -0.18 0.00 1.31 0.00 0.00 55.95 56.78 2a71 s SER 67 Cb 0.00 -1.25 0.05 0.00 0.21 0.00 0.00 66.02 65.03 2a71 s SER 67 CO 0.00 -0.23 0.81 0.72 0.41 0.00 0.00 173.24 174.95 2a71 s PHE 68 N -2.19 0.04 -0.04 2.43 -0.12 -1.03 -2.12 117.98 114.94 2a71 s PHE 68 Ca 0.38 -0.62 -0.13 0.00 -0.05 0.00 0.00 56.93 56.51 2a71 s PHE 68 Cb -0.07 0.79 0.02 0.00 -0.63 0.00 0.00 43.02 43.13 2a71 s PHE 68 CO 0.27 -1.39 0.30 0.99 -0.05 0.00 0.00 175.22 175.33 2a71 s THR 69 N -2.67 0.04 -0.15 -4.49 2.01 -0.81 -1.80 115.64 107.78 2a71 s THR 69 Ca 0.15 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 2a71 s THR 69 Cb -0.05 -0.55 0.05 0.00 0.01 0.00 0.00 72.50 71.97 2a71 s THR 69 CO 0.09 -0.19 0.37 -0.32 -0.69 0.00 0.00 174.62 173.88 2a71 s MET 70 N -0.88 0.35 -0.24 4.92 0.00 0.30 -0.82 119.30 122.93 2a71 s MET 70 Ca -0.10 0.70 -0.03 0.00 0.00 0.00 0.00 55.69 56.27 2a71 s MET 70 Cb -0.05 -0.03 0.08 0.00 0.00 0.00 0.00 34.83 34.83 2a71 s MET 70 CO 0.03 -0.15 0.08 -2.00 0.00 0.00 0.00 175.02 172.98 2a71 s GLU 71 N 1.29 0.44 -0.21 4.11 2.12 -0.65 0.10 118.70 125.91 2a71 s GLU 71 Ca -0.09 -0.52 -0.09 0.00 0.36 0.00 0.00 54.97 54.62 2a71 s GLU 71 Cb -0.09 -1.79 -0.05 0.00 0.26 0.00 0.00 34.13 32.47 2a71 s GLU 71 CO -0.11 -0.82 0.12 -1.58 -0.54 0.00 0.00 175.26 172.33 2a71 s TRP 72 N 1.92 3.34 -0.26 5.30 0.52 0.24 -1.92 118.94 128.08 2a71 s TRP 72 Ca 0.04 0.22 -0.05 0.00 0.02 0.00 0.00 56.10 56.33 2a71 s TRP 72 Cb -0.17 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 29.99 2a71 s TRP 72 CO -0.19 0.19 0.02 0.99 0.02 0.00 0.00 176.95 177.98 2a71 s THR 73 N 0.55 3.66 0.39 2.01 2.01 -0.42 -0.05 115.64 123.79 2a71 s THR 73 Ca 0.07 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.46 2a71 s THR 73 Cb -0.12 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 2a71 s THR 73 CO 0.00 0.21 0.19 0.72 -0.69 0.00 0.00 174.62 175.05 2a71 s PHE 74 N 1.47 1.77 -0.22 4.92 -0.12 -0.86 -0.93 117.98 124.02 2a71 s PHE 74 Ca 0.03 -1.45 -0.27 0.00 -0.05 0.00 0.00 56.93 55.20 2a71 s PHE 74 Cb -0.16 -0.99 0.08 0.00 -0.63 0.00 0.00 43.02 41.32 2a71 s PHE 74 CO -0.00 -0.53 0.77 0.50 -0.05 0.00 0.00 175.22 175.91 2a71 s ARG 75 N -3.59 0.83 -0.13 1.99 3.52 -0.16 -1.94 118.95 119.46 2a71 s ARG 75 Ca 0.29 0.73 -0.03 0.00 -0.13 0.00 0.00 55.73 56.58 2a71 s ARG 75 Cb 0.02 0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 33.78 2a71 s ARG 75 CO 0.19 -0.15 -0.01 0.45 -0.81 0.00 0.00 175.30 174.97 2a71 s SER 76 N -0.08 5.08 0.10 -2.12 0.15 -1.25 -0.70 113.70 114.88 2a71 s SER 76 Ca -0.02 0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.60 2a71 s SER 76 Cb -0.04 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.57 2a71 s SER 76 CO 0.02 0.25 0.08 0.68 1.20 0.00 0.00 173.24 175.47 2a71 s VAL 77 N -0.12 0.15 0.00 4.45 -7.23 -0.75 -3.88 120.40 113.02 2a71 s VAL 77 Ca 0.04 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 2a71 s VAL 77 Cb -0.13 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.13 2a71 s VAL 77 CO 0.02 -0.69 0.00 0.61 -0.31 0.00 0.00 175.10 174.73 2a71 n GLY 78 N -0.02 0.68 3.64 2.32 0.00 -1.26 -0.97 105.19 109.57 2a71 n GLY 78 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 2a71 n GLY 78 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a71 s TYR 79 N -2.64 -1.01 0.03 1.61 5.04 -1.26 -4.48 117.35 114.64 2a71 s TYR 79 Ca 0.00 2.06 0.04 0.00 -2.44 0.00 0.00 57.07 56.73 2a71 s TYR 79 Cb 0.00 0.59 -0.04 0.00 0.35 0.00 0.00 41.96 42.86 2a71 s TYR 79 CO 0.00 -0.50 -0.05 0.45 -1.34 0.00 0.00 175.55 174.11 2a71 s SER 80 N 1.49 4.75 0.00 4.32 0.15 -1.26 -4.26 113.70 118.89 2a71 s SER 80 Ca -0.09 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2a71 s SER 80 Cb -0.05 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 2a71 s SER 80 CO -0.18 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2a71 n GLY 81 N 1.23 2.95 3.77 9.45 0.00 -1.26 -5.09 105.19 116.24 2a71 n GLY 81 Ca -0.14 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 2a71 n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a71 s GLN 82 N -2.34 4.53 0.13 1.61 0.74 -1.26 -5.06 119.66 118.01 2a71 s GLN 82 Ca 0.00 1.12 -0.05 0.00 0.05 0.00 0.00 55.36 56.48 2a71 s GLN 82 Cb 0.00 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.79 2a71 s GLN 82 CO 0.00 0.47 0.15 0.95 -0.55 0.00 0.00 175.29 176.31 2a71 s THR 83 N -0.75 0.10 -0.69 -0.34 -4.23 -1.26 -4.94 115.64 103.53 2a71 s THR 83 Ca 0.37 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.30 2a71 s THR 83 Cb -0.22 -1.85 0.30 0.00 1.34 0.00 0.00 72.50 72.07 2a71 s THR 83 CO 0.25 -0.47 0.98 -0.90 -0.54 0.00 0.00 174.62 173.94 2a71 n ASP 84 N -0.12 2.78 -4.63 3.99 5.75 -1.26 -3.92 116.55 119.14 2a71 n ASP 84 Ca -0.08 -2.36 -0.25 0.00 -0.01 0.00 0.00 54.79 52.09 2a71 n ASP 84 Cb 0.63 -0.57 0.11 0.00 -1.03 0.00 0.00 41.12 40.26 2a71 n ASP 84 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2a71 s GLY 85 N -0.26 1.76 0.00 6.12 0.00 -1.26 -4.71 107.32 108.97 2a71 s GLY 85 Ca 0.20 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2a71 s GLY 85 CO 0.06 -0.89 0.00 0.61 0.00 0.00 0.00 173.10 172.88 2a71 n GLY 86 N -3.00 0.78 3.34 0.20 0.00 -0.44 -4.57 105.19 101.51 2a71 n GLY 86 Ca 0.13 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 2a71 n GLY 86 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2a71 s ILE 87 N -2.00 2.25 -0.01 -0.61 2.07 -0.61 -2.08 121.20 120.20 2a71 s ILE 87 Ca 0.00 -1.07 0.00 0.00 -1.41 0.00 0.00 60.65 58.17 2a71 s ILE 87 Cb 0.00 -1.81 0.01 0.00 0.13 0.00 0.00 42.46 40.80 2a71 s ILE 87 CO 0.00 0.56 -0.00 -0.94 -1.91 0.00 0.00 174.94 172.65 2a71 s SER 88 N -0.70 0.23 -0.19 4.50 1.04 0.11 -1.36 113.70 117.34 2a71 s SER 88 Ca 0.10 -0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.44 2a71 s SER 88 Cb -0.10 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 2a71 s SER 88 CO -0.00 -0.04 0.08 -0.36 0.98 0.00 0.00 173.24 173.90 2a71 s PHE 89 N 0.46 3.29 0.05 5.02 0.08 0.39 -1.23 117.98 126.05 2a71 s PHE 89 Ca -0.04 0.13 0.06 0.00 0.12 0.00 0.00 56.93 57.20 2a71 s PHE 89 Cb -0.07 -2.10 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 2a71 s PHE 89 CO -0.01 0.18 -0.12 -1.58 -0.10 0.00 0.00 175.22 173.59 2a71 s TRP 90 N 0.40 2.71 -0.35 0.36 0.52 0.78 -0.57 118.94 122.79 2a71 s TRP 90 Ca 0.04 -0.16 0.02 0.00 0.02 0.00 0.00 56.10 56.02 2a71 s TRP 90 Cb -0.12 -1.49 0.15 0.00 -1.15 0.00 0.00 33.47 30.85 2a71 s TRP 90 CO -0.00 0.35 0.32 0.12 0.02 0.00 0.00 176.95 177.76 2a71 s PHE 91 N -1.04 -0.09 0.08 -1.98 5.36 -0.88 -2.75 117.98 116.67 2a71 s PHE 91 Ca 0.18 -0.90 0.03 0.00 -0.96 0.00 0.00 56.93 55.28 2a71 s PHE 91 Cb -0.11 -0.53 -0.03 0.00 -0.34 0.00 0.00 43.02 42.00 2a71 s PHE 91 CO 0.09 -0.93 -0.09 0.14 -1.46 0.00 0.00 175.22 172.96 2a71 s VAL 92 N 1.51 0.80 -0.07 3.12 -7.23 -0.82 -1.77 120.40 115.93 2a71 s VAL 92 Ca 0.16 -1.45 -0.30 0.00 -1.81 0.00 0.00 61.98 58.58 2a71 s VAL 92 Cb -0.17 -1.11 -0.02 0.00 0.56 0.00 0.00 36.38 35.64 2a71 s VAL 92 CO -0.08 -0.49 1.08 -1.10 -0.31 0.00 0.00 175.10 174.19 2a71 s GLN 93 N -2.38 4.42 -0.22 4.82 -0.21 -0.30 0.53 119.66 126.32 2a71 s GLN 93 Ca 0.00 1.51 -0.28 0.00 0.02 0.00 0.00 55.36 56.60 2a71 s GLN 93 Cb -0.05 -3.53 0.14 0.00 1.00 0.00 0.00 33.01 30.57 2a71 s GLN 93 CO -0.00 -0.33 1.10 0.34 -2.12 0.00 0.00 175.29 174.28 2a71 s ASP 94 N 1.21 -0.31 0.02 5.90 -1.08 -1.13 -4.56 116.67 116.71 2a71 s ASP 94 Ca 0.52 0.43 0.28 0.00 -0.52 0.00 0.00 52.55 53.26 2a71 s ASP 94 Cb -0.21 0.38 1.02 0.00 -1.46 0.00 0.00 42.92 42.65 2a71 s ASP 94 CO 0.21 -0.22 1.79 -1.54 0.52 0.00 0.00 175.17 175.93 2a71 n SER 95 N 1.14 0.18 -4.04 -0.34 3.41 -1.26 -4.64 113.62 108.08 2a71 n SER 95 Ca -0.09 0.32 -0.10 0.00 -0.26 0.00 0.00 58.87 58.74 2a71 n SER 95 Cb 0.57 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 2a71 n SER 95 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2a71 s ASN 96 N -3.12 -0.04 0.07 4.04 4.22 -1.26 -4.89 114.94 113.96 2a71 s ASN 96 Ca 0.13 -1.02 -0.37 0.00 -2.14 0.00 0.00 52.86 49.46 2a71 s ASN 96 Cb 0.18 0.54 -0.18 0.00 1.28 0.00 0.00 41.25 43.07 2a71 s ASN 96 CO 0.58 -1.07 1.15 -0.38 -2.04 0.00 0.00 177.10 175.34 2a71 n ILE 97 N -0.35 0.26 -1.65 0.54 5.41 -1.26 -4.82 119.36 117.48 2a71 n ILE 97 Ca -0.01 -0.06 -0.44 0.00 1.00 0.00 0.00 62.75 63.23 2a71 n ILE 97 Cb 0.63 -0.43 -0.02 0.00 -0.71 0.00 0.00 39.64 39.11 2a71 n ILE 97 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2a71 n PRO 98 N 1.89 1.81 0.02 0.38 -0.02 -1.26 -4.94 135.00 132.88 2a71 n PRO 98 Ca 0.19 0.64 0.01 0.00 -2.02 0.00 0.00 63.50 62.31 2a71 n PRO 98 Cb 0.16 -2.17 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 2a71 n PRO 98 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2a71 n ARG 99 N 1.12 0.63 -2.09 -0.52 0.00 -1.26 -4.90 116.66 109.63 2a71 n ARG 99 Ca 0.09 0.16 -0.42 0.00 -0.00 0.00 0.00 57.85 57.67 2a71 n ARG 99 Cb 0.33 -1.76 -0.03 0.00 -0.00 0.00 0.00 32.46 31.00 2a71 n ARG 99 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2a71 s ASP 100 N -5.60 6.74 -0.25 2.89 2.15 -1.26 -4.93 116.67 116.41 2a71 s ASP 100 Ca -0.04 2.30 0.09 0.00 0.43 0.00 0.00 52.55 55.33 2a71 s ASP 100 Cb 0.09 -2.57 0.44 0.00 -0.30 0.00 0.00 42.92 40.59 2a71 s ASP 100 CO 0.82 -0.78 1.20 0.29 -0.17 0.00 0.00 175.17 176.53 2a71 n LYS 101 N 5.26 2.60 0.02 4.34 4.76 -1.22 -1.75 118.16 132.18 2a71 n LYS 101 Ca 0.14 -3.73 0.11 0.00 -2.87 0.00 0.00 58.31 51.96 2a71 n LYS 101 Cb 0.42 -1.93 0.05 0.00 -1.84 0.00 0.00 35.03 31.73 2a71 n LYS 101 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2a71 n GLN 102 N -0.89 0.23 -3.94 1.97 6.02 -0.63 -3.78 117.38 116.37 2a71 n GLN 102 Ca 0.31 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 57.00 2a71 n GLN 102 Cb 0.84 -1.58 -0.14 0.00 1.02 0.00 0.00 30.24 30.37 2a71 n GLN 102 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2a71 s LEU 103 N -3.75 4.19 -1.57 1.08 2.96 -0.59 -4.77 118.68 116.23 2a71 s LEU 103 Ca 0.05 -2.48 -0.04 0.00 -0.22 0.00 0.00 54.13 51.44 2a71 s LEU 103 Cb 0.15 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.33 2a71 s LEU 103 CO 0.79 -0.32 0.47 -1.22 -1.32 0.00 0.00 176.35 174.75 2a71 n TYR 104 N 3.80 -1.77 -1.96 5.38 4.01 -1.26 -1.74 117.16 123.62 2a71 n TYR 104 Ca 0.04 0.41 -0.14 0.00 -0.16 0.00 0.00 57.90 58.05 2a71 n TYR 104 Cb 0.37 -4.25 -0.03 0.00 -0.31 0.00 0.00 39.34 35.13 2a71 n TYR 104 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2a71 n ASN 105 N -2.40 -4.50 -0.96 7.72 5.15 -1.25 -3.39 115.26 115.63 2a71 n ASN 105 Ca -0.13 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 2a71 n ASN 105 Cb 0.63 -3.52 0.00 0.00 -0.53 0.00 0.00 39.78 36.36 2a71 n ASN 105 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2a71 n GLY 106 N -1.09 4.78 3.58 8.20 0.00 -0.71 -4.77 105.19 115.18 2a71 n GLY 106 Ca -0.16 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 2a71 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a71 s PRO 107 N -1.05 3.74 0.27 1.61 0.04 -0.71 -1.54 135.00 137.35 2a71 s PRO 107 Ca 0.00 0.20 0.22 0.00 0.04 0.00 0.00 61.00 61.46 2a71 s PRO 107 Cb 0.00 -3.80 1.02 0.00 0.04 0.00 0.00 34.50 31.77 2a71 s PRO 107 CO 0.00 -0.76 1.68 1.55 0.04 0.00 0.00 177.00 179.51 2a71 n VAL 108 N 5.64 0.92 -2.06 -0.36 3.14 -1.26 -3.22 118.33 121.13 2a71 n VAL 108 Ca 0.01 0.41 -0.27 0.00 -2.96 0.00 0.00 64.34 61.53 2a71 n VAL 108 Cb 0.48 -1.36 0.02 0.00 -1.06 0.00 0.00 33.84 31.92 2a71 n VAL 108 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2a71 n ASN 109 N -2.22 5.28 -4.80 6.55 0.23 -1.26 -1.46 115.26 117.57 2a71 n ASN 109 Ca 0.01 -3.75 -0.31 0.00 -0.53 0.00 0.00 54.58 50.00 2a71 n ASN 109 Cb 0.16 -0.47 0.07 0.00 -2.08 0.00 0.00 39.78 37.46 2a71 n ASN 109 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 2a71 s TYR 110 N -3.63 2.93 -0.44 -2.53 -0.85 -1.20 -4.55 117.35 107.09 2a71 s TYR 110 Ca 0.52 1.38 0.02 0.00 -0.52 0.00 0.00 57.07 58.47 2a71 s TYR 110 Cb 0.42 -2.97 0.14 0.00 0.38 0.00 0.00 41.96 39.93 2a71 s TYR 110 CO -0.04 -1.49 0.25 0.34 -1.52 0.00 0.00 175.55 173.08 2a71 s ASP 111 N -3.74 3.59 0.00 -0.18 2.15 -1.26 -1.94 116.67 115.30 2a71 s ASP 111 Ca 0.59 -2.65 0.00 0.00 0.43 0.00 0.00 52.55 50.92 2a71 s ASP 111 Cb -0.15 -1.01 0.00 0.00 -0.30 0.00 0.00 42.92 41.47 2a71 s ASP 111 CO 0.55 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.90 2a71 n GLY 112 N 3.50 -0.67 3.09 2.66 0.00 -0.44 -1.15 105.19 112.18 2a71 n GLY 112 Ca 0.10 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 2a71 n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a71 s LEU 113 N 0.00 1.43 -0.06 0.99 2.96 -0.73 -3.83 118.68 119.43 2a71 s LEU 113 Ca 0.00 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2a71 s LEU 113 Cb 0.00 0.66 0.03 0.00 0.50 0.00 0.00 46.19 47.38 2a71 s LEU 113 CO 0.00 -0.22 0.02 -1.58 -1.32 0.00 0.00 176.35 173.25 2a71 s GLN 114 N -0.68 0.36 -0.23 1.98 0.74 -0.98 -2.07 119.66 118.79 2a71 s GLN 114 Ca -0.08 0.20 -0.12 0.00 0.05 0.00 0.00 55.36 55.41 2a71 s GLN 114 Cb -0.04 -0.79 -0.05 0.00 1.10 0.00 0.00 33.01 33.23 2a71 s GLN 114 CO 0.01 -0.31 0.24 -0.51 -0.55 0.00 0.00 175.29 174.18 2a71 s LEU 115 N 2.01 4.13 -0.21 3.68 1.43 0.26 -1.29 118.68 128.69 2a71 s LEU 115 Ca 0.04 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2a71 s LEU 115 Cb -0.12 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.88 2a71 s LEU 115 CO -0.04 0.01 -0.16 -0.22 0.23 0.00 0.00 176.35 176.17 2a71 s LEU 116 N 1.16 2.67 -0.39 1.79 2.96 0.37 -0.46 118.68 126.76 2a71 s LEU 116 Ca 0.12 -0.95 -0.14 0.00 -0.22 0.00 0.00 54.13 52.94 2a71 s LEU 116 Cb -0.14 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.06 2a71 s LEU 116 CO 0.06 -0.08 0.27 -0.69 -1.32 0.00 0.00 176.35 174.59 2a71 s VAL 117 N 1.21 5.05 0.38 1.68 1.01 -0.46 -0.79 120.40 128.47 2a71 s VAL 117 Ca -0.01 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 2a71 s VAL 117 Cb -0.16 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2a71 s VAL 117 CO -0.10 -0.27 0.61 -0.90 0.00 0.00 0.00 175.10 174.45 2a71 n ASP 118 N 5.11 -1.75 -0.55 3.32 5.75 -1.09 -1.57 116.55 125.77 2a71 n ASP 118 Ca -0.11 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 51.84 2a71 n ASP 118 Cb 0.47 3.09 0.00 0.00 -1.03 0.00 0.00 41.12 43.65 2a71 n ASP 118 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2a71 n ASN 119 N -1.58 0.08 -0.78 -1.12 6.94 -1.26 -1.15 115.26 116.38 2a71 n ASN 119 Ca -0.03 -2.01 0.12 0.00 -0.02 0.00 0.00 54.58 52.64 2a71 n ASN 119 Cb 0.60 -0.21 0.15 0.00 -2.36 0.00 0.00 39.78 37.97 2a71 n ASN 119 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2a71 n ASN 120 N 0.01 2.54 -3.02 0.53 4.05 -1.25 -4.36 115.26 113.75 2a71 n ASN 120 Ca 0.00 -1.80 -0.10 0.00 0.45 0.00 0.00 54.58 53.13 2a71 n ASN 120 Cb 0.72 0.09 0.06 0.00 1.23 0.00 0.00 39.78 41.88 2a71 n ASN 120 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2a71 n GLY 121 N 1.34 0.32 0.20 8.20 0.00 -1.26 -4.98 105.19 109.01 2a71 n GLY 121 Ca 0.14 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.36 2a71 n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a71 h PRO 122 N 0.00 0.00 0.00 1.61 0.13 -1.97 -2.87 132.00 128.90 2a71 h PRO 122 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2a71 h PRO 122 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2a71 h PRO 122 CO 0.15 0.00 -1.66 1.28 -0.23 0.00 0.00 178.00 177.54 2a71 n LEU 123 N -2.85 0.28 0.00 1.56 4.77 -1.26 -5.10 117.00 114.40 2a71 n LEU 123 Ca 0.03 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2a71 n LEU 123 Cb 0.42 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2a71 n LEU 123 CO 0.30 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2a71 n GLY 124 N 1.26 0.13 3.65 -0.72 0.00 -1.09 -4.95 105.19 103.47 2a71 n GLY 124 Ca -0.02 -1.71 -0.45 0.00 0.00 0.00 0.00 46.02 43.83 2a71 n GLY 124 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2a71 n PRO 125 N 0.22 2.40 -4.03 1.61 -0.02 -1.26 -4.35 135.00 129.57 2a71 n PRO 125 Ca 0.00 0.85 -0.08 0.00 -2.02 0.00 0.00 63.50 62.25 2a71 n PRO 125 Cb 0.00 -2.90 -0.10 0.00 -0.02 0.00 0.00 33.50 30.48 2a71 n PRO 125 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2a71 s THR 126 N 5.13 0.17 -0.21 3.45 -4.23 -0.30 -1.52 115.64 118.13 2a71 s THR 126 Ca 0.93 -1.38 -0.09 0.00 -1.18 0.00 0.00 61.69 59.97 2a71 s THR 126 Cb -0.53 -0.98 -0.05 0.00 1.34 0.00 0.00 72.50 72.29 2a71 s THR 126 CO 0.45 -0.76 0.12 -0.22 -0.54 0.00 0.00 174.62 173.66 2a71 s LEU 127 N -2.29 4.04 0.02 4.79 0.20 -0.64 -2.67 118.68 122.12 2a71 s LEU 127 Ca -0.03 0.13 0.06 0.00 0.69 0.00 0.00 54.13 54.98 2a71 s LEU 127 Cb 0.00 -2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 43.69 2a71 s LEU 127 CO -0.06 0.13 -0.17 -0.13 -0.29 0.00 0.00 176.35 175.83 2a71 s ARG 128 N 0.65 1.23 -0.19 1.98 0.52 0.02 -1.54 118.95 121.62 2a71 s ARG 128 Ca 0.06 -0.73 -0.08 0.00 -0.52 0.00 0.00 55.73 54.47 2a71 s ARG 128 Cb -0.12 -1.24 -0.04 0.00 0.52 0.00 0.00 34.95 34.06 2a71 s ARG 128 CO 0.01 0.33 0.08 0.20 0.02 0.00 0.00 175.30 175.94 2a71 s GLY 129 N -0.80 1.93 0.17 -3.53 0.00 -0.16 -0.48 107.32 104.44 2a71 s GLY 129 Ca 0.05 -0.75 0.10 0.00 0.00 0.00 0.00 44.72 44.12 2a71 s GLY 129 CO 0.01 0.10 -0.21 1.20 0.00 0.00 0.00 173.10 174.19 2a71 s GLN 130 N 0.43 1.36 -0.01 2.90 -1.52 -0.41 -1.29 119.66 121.12 2a71 s GLN 130 Ca 0.04 -1.42 0.02 0.00 -1.95 0.00 0.00 55.36 52.06 2a71 s GLN 130 Cb -0.12 -1.57 -0.00 0.00 -0.22 0.00 0.00 33.01 31.09 2a71 s GLN 130 CO -0.00 0.34 -0.07 -0.51 -0.25 0.00 0.00 175.29 174.80 2a71 s LEU 131 N -2.53 1.96 0.02 2.90 1.43 -1.26 -2.32 118.68 118.87 2a71 s LEU 131 Ca 0.16 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.03 2a71 s LEU 131 Cb -0.07 -0.38 0.01 0.00 0.03 0.00 0.00 46.19 45.77 2a71 s LEU 131 CO 0.07 0.08 0.21 0.21 0.23 0.00 0.00 176.35 177.16 2a71 s ASN 132 N -0.08 -0.04 0.00 2.29 2.47 -1.25 -5.03 114.94 113.30 2a71 s ASN 132 Ca 0.02 -0.19 0.17 0.00 0.42 0.00 0.00 52.86 53.28 2a71 s ASN 132 Cb -0.04 0.27 0.16 0.00 -1.45 0.00 0.00 41.25 40.20 2a71 s ASN 132 CO -0.00 -0.48 1.08 -0.90 -3.72 0.00 0.00 177.10 173.08 2a71 n ASP 133 N 1.05 2.54 0.00 -4.21 5.68 -1.25 -1.33 116.55 119.02 2a71 n ASP 133 Ca -0.21 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 2a71 n ASP 133 Cb 0.57 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 2a71 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a71 n GLY 134 N 0.99 1.99 0.00 6.12 0.00 -0.82 -4.75 105.19 108.73 2a71 n GLY 134 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2a71 n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2a71 n GLN 135 N -2.00 0.00 -3.10 1.61 1.13 -1.26 -4.89 117.38 108.87 2a71 n GLN 135 Ca 0.00 0.01 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 2a71 n GLN 135 Cb 0.00 -0.84 0.01 0.00 0.11 0.00 0.00 30.24 29.52 2a71 n GLN 135 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2a71 s LYS 136 N -0.67 3.11 0.25 -1.09 1.02 -1.26 -5.08 119.74 116.02 2a71 s LYS 136 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 2a71 s LYS 136 Cb 0.00 -2.61 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 2a71 s LYS 136 CO 0.00 -0.18 0.96 -1.25 -0.92 0.00 0.00 175.35 173.96 2a71 s PRO 137 N -4.47 4.81 0.95 -1.68 0.05 -1.26 -4.73 135.00 128.67 2a71 s PRO 137 Ca 0.47 1.51 -0.11 0.00 0.05 0.00 0.00 61.00 62.92 2a71 s PRO 137 Cb -0.10 -3.23 0.15 0.00 0.05 0.00 0.00 34.50 31.37 2a71 s PRO 137 CO 0.37 0.47 1.01 1.33 0.05 0.00 0.00 177.00 180.22 2a71 n VAL 138 N 1.37 0.00 -3.33 -0.36 0.24 -0.53 -4.96 118.33 110.76 2a71 n VAL 138 Ca -0.02 -0.08 -0.44 0.00 -2.04 0.00 0.00 64.34 61.77 2a71 n VAL 138 Cb 0.47 -0.94 -0.08 0.00 -1.47 0.00 0.00 33.84 31.82 2a71 n VAL 138 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2a71 s ASP 139 N -2.51 6.17 0.50 -1.34 -1.08 -1.26 -4.94 116.67 112.21 2a71 s ASP 139 Ca 0.65 -0.95 0.34 0.00 -0.52 0.00 0.00 52.55 52.07 2a71 s ASP 139 Cb -0.23 -2.21 1.66 0.00 -1.46 0.00 0.00 42.92 40.67 2a71 s ASP 139 CO 0.60 -0.64 2.02 0.11 0.52 0.00 0.00 175.17 177.78 2a71 h LYS 140 N 8.77 0.00 0.00 4.34 1.57 -1.98 -2.91 116.57 126.36 2a71 h LYS 140 Ca -0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2a71 h LYS 140 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 2a71 h LYS 140 CO 0.84 0.00 -0.07 1.79 -0.57 0.00 0.00 179.45 181.44 2a71 h THR 141 N 0.00 0.13 -0.35 -0.16 1.35 -2.03 -3.27 112.91 108.57 2a71 h THR 141 Ca 0.00 -1.14 -0.27 0.00 -0.55 0.00 0.00 66.41 64.45 2a71 h THR 141 Cb 0.20 2.03 -0.26 0.00 -1.73 0.00 0.00 68.15 68.39 2a71 h THR 141 CO 0.00 0.07 -0.76 2.29 -0.25 0.00 0.00 175.52 176.87 2a71 n LYS 142 N -3.12 2.22 -0.12 4.72 2.85 -1.10 -4.85 118.16 118.76 2a71 n LYS 142 Ca 0.03 -3.52 -0.06 0.00 -1.05 0.00 0.00 58.31 53.71 2a71 n LYS 142 Cb 0.54 -1.69 0.12 0.00 -0.65 0.00 0.00 35.03 33.35 2a71 n LYS 142 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 177.40 178.32 2a71 h ILE 143 N 2.72 1.25 0.00 0.58 2.10 -1.64 -2.86 117.51 119.67 2a71 h ILE 143 Ca 0.10 -1.13 -0.01 0.00 1.08 0.00 0.00 64.86 64.91 2a71 h ILE 143 Cb 1.35 0.96 -0.00 0.00 -1.09 0.00 0.00 36.82 38.04 2a71 h ILE 143 CO 0.33 0.39 -0.05 1.88 -1.08 0.00 0.00 178.15 179.63 2a71 h TYR 144 N 0.76 0.00 0.04 2.19 0.05 -1.89 -2.41 116.97 115.70 2a71 h TYR 144 Ca 0.13 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.68 2a71 h TYR 144 Cb 0.55 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 2a71 h TYR 144 CO 0.03 0.05 -1.03 -0.44 -1.05 0.00 0.00 178.16 175.72 2a71 h ASP 145 N 0.00 0.43 0.65 3.88 3.45 -1.91 -3.36 116.42 119.57 2a71 h ASP 145 Ca -0.00 -0.38 0.00 0.00 0.43 0.00 0.00 57.03 57.08 2a71 h ASP 145 Cb 0.85 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.49 2a71 h ASP 145 CO 0.01 1.22 -0.29 0.00 -1.57 0.00 0.00 179.24 178.60 2a71 n GLN 146 N -3.65 0.08 -1.70 3.56 6.02 -0.95 -4.87 117.38 115.86 2a71 n GLN 146 Ca -0.06 -0.03 -0.56 0.00 -0.01 0.00 0.00 57.00 56.33 2a71 n GLN 146 Cb 0.89 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.59 2a71 n GLN 146 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2a71 n SER 147 N -1.43 2.55 0.11 1.08 7.64 -0.97 -4.78 113.62 117.82 2a71 n SER 147 Ca 0.07 1.06 -0.01 0.00 1.01 0.00 0.00 58.87 61.00 2a71 n SER 147 Cb 0.33 -1.18 0.27 0.00 -1.01 0.00 0.00 64.21 62.62 2a71 n SER 147 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2a71 h PHE 148 N 7.48 0.23 -2.51 1.43 -5.15 -1.53 -3.45 116.94 113.43 2a71 h PHE 148 Ca -0.47 -0.05 -0.05 0.00 -0.20 0.00 0.00 57.97 57.19 2a71 h PHE 148 Cb 1.31 -0.05 -0.17 0.00 0.22 0.00 0.00 35.95 37.26 2a71 h PHE 148 CO 0.78 0.54 0.13 0.00 -2.00 0.00 0.00 178.31 177.76 2a71 s ALA 149 N -4.22 -1.55 0.33 12.09 0.00 -1.25 -5.03 121.76 122.12 2a71 s ALA 149 Ca -0.04 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.81 2a71 s ALA 149 Cb 0.14 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 2a71 s ALA 149 CO 0.76 -0.50 0.37 -1.13 0.00 0.00 0.00 175.76 175.26 2a71 n SER 150 N 0.47 -0.98 -3.51 0.00 3.41 -1.26 -0.99 113.62 110.76 2a71 n SER 150 Ca -0.18 -2.95 -0.17 0.00 -0.26 0.00 0.00 58.87 55.30 2a71 n SER 150 Cb 0.60 2.01 -0.06 0.00 -0.26 0.00 0.00 64.21 66.50 2a71 n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a71 s LEU 152 N -1.37 4.22 -0.30 0.00 1.43 -1.26 -1.63 118.68 119.78 2a71 s LEU 152 Ca -0.09 2.66 -0.03 0.00 -1.03 0.00 0.00 54.13 55.63 2a71 s LEU 152 Cb -0.00 -3.89 0.19 0.00 0.03 0.00 0.00 46.19 42.52 2a71 s LEU 152 CO 0.07 -0.84 0.79 -0.32 0.23 0.00 0.00 176.35 176.28 2a71 s MET 153 N -2.22 0.39 -0.01 1.70 1.75 -0.57 -4.75 119.30 115.58 2a71 s MET 153 Ca 0.57 0.50 -0.30 0.00 -1.25 0.00 0.00 55.69 55.21 2a71 s MET 153 Cb -0.38 0.26 -0.04 0.00 2.84 0.00 0.00 34.83 37.50 2a71 s MET 153 CO 0.49 -0.60 1.23 0.20 -0.65 0.00 0.00 175.02 175.69 2a71 s GLY 154 N 2.89 2.17 0.00 2.11 0.00 -1.26 -3.82 107.32 109.41 2a71 s GLY 154 Ca 0.15 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.60 2a71 s GLY 154 CO -0.21 2.20 0.00 1.58 0.00 0.00 0.00 173.10 176.66 2a71 n TYR 155 N 4.79 0.00 -3.38 1.90 0.18 -1.26 -5.08 117.16 114.31 2a71 n TYR 155 Ca 0.11 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.55 2a71 n TYR 155 Cb 0.46 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.36 2a71 n TYR 155 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2a71 s GLN 156 N -0.97 3.90 -0.69 -3.48 -0.21 -1.26 -3.93 119.66 113.02 2a71 s GLN 156 Ca 0.00 0.40 -0.10 0.00 0.02 0.00 0.00 55.36 55.68 2a71 s GLN 156 Cb 0.00 -2.78 0.01 0.00 1.00 0.00 0.00 33.01 31.25 2a71 s GLN 156 CO 0.00 0.39 0.64 -0.25 -2.12 0.00 0.00 175.29 173.95 2a71 n ASP 157 N 0.32 -6.01 -3.48 5.90 10.43 -1.25 -5.03 116.55 117.42 2a71 n ASP 157 Ca -0.02 -0.44 -0.08 0.00 2.57 0.00 0.00 54.79 56.82 2a71 n ASP 157 Cb 0.52 -2.93 -0.08 0.00 1.84 0.00 0.00 41.12 40.47 2a71 n ASP 157 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2a71 s SER 158 N -2.65 -0.10 0.17 -2.24 0.15 -1.25 -5.04 113.70 102.74 2a71 s SER 158 Ca 0.10 0.63 -0.13 0.00 0.70 0.00 0.00 55.95 57.25 2a71 s SER 158 Cb -0.02 1.30 0.07 0.00 -1.71 0.00 0.00 66.02 65.67 2a71 s SER 158 CO 0.84 -0.27 1.79 0.28 1.20 0.00 0.00 173.24 177.08 2a71 h SER 159 N 8.17 0.71 -2.52 5.45 0.02 -1.96 -3.42 113.55 120.00 2a71 h SER 159 Ca -0.18 -0.09 -0.54 0.00 -0.84 0.00 0.00 61.79 60.14 2a71 h SER 159 Cb 1.13 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.50 2a71 h SER 159 CO 0.20 0.60 1.13 0.68 -1.14 0.00 0.00 176.83 178.30 2a71 s VAL 160 N -5.86 3.27 0.27 2.27 -7.23 -1.26 -4.98 120.40 106.88 2a71 s VAL 160 Ca -0.13 0.40 -0.29 0.00 -1.81 0.00 0.00 61.98 60.15 2a71 s VAL 160 Cb 0.13 -3.26 -0.10 0.00 0.56 0.00 0.00 36.38 33.71 2a71 s VAL 160 CO 0.77 -0.03 1.26 -2.84 -0.31 0.00 0.00 175.10 173.94 2a71 s PRO 161 N 3.99 4.44 0.20 4.82 0.02 -1.26 -4.97 135.00 142.23 2a71 s PRO 161 Ca 0.79 2.06 -0.10 0.00 0.02 0.00 0.00 61.00 63.77 2a71 s PRO 161 Cb -0.38 -3.14 -0.07 0.00 0.02 0.00 0.00 34.50 30.93 2a71 s PRO 161 CO 0.35 -0.12 0.53 -1.12 -0.33 0.00 0.00 177.00 176.31 2a71 s SER 162 N -0.28 6.67 -0.20 2.53 0.01 -0.82 -4.90 113.70 116.70 2a71 s SER 162 Ca 0.51 0.93 -0.04 0.00 1.31 0.00 0.00 55.95 58.65 2a71 s SER 162 Cb -0.37 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 2a71 s SER 162 CO 0.45 -0.01 -0.02 -0.89 0.41 0.00 0.00 173.24 173.18 2a71 s THR 163 N -1.71 3.75 -0.07 1.44 2.01 -1.26 -2.03 115.64 117.77 2a71 s THR 163 Ca 0.44 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 2a71 s THR 163 Cb -0.12 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 2a71 s THR 163 CO 0.21 0.43 0.25 -0.63 -0.69 0.00 0.00 174.62 174.19 2a71 s ILE 164 N 1.11 5.31 -0.24 1.82 1.01 0.93 -0.79 121.20 130.36 2a71 s ILE 164 Ca 0.02 0.47 -0.01 0.00 0.00 0.00 0.00 60.65 61.13 2a71 s ILE 164 Cb -0.14 -3.53 0.07 0.00 0.01 0.00 0.00 42.46 38.87 2a71 s ILE 164 CO 0.01 0.60 0.02 -0.60 0.00 0.00 0.00 174.94 174.97 2a71 s ARG 165 N -1.01 1.02 -0.27 2.79 3.52 0.21 -0.59 118.95 124.62 2a71 s ARG 165 Ca 0.18 -0.80 -0.10 0.00 -0.13 0.00 0.00 55.73 54.89 2a71 s ARG 165 Cb -0.14 -2.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 2a71 s ARG 165 CO 0.08 -0.71 0.16 0.08 -0.81 0.00 0.00 175.30 174.09 2a71 s VAL 166 N 1.62 5.02 -0.04 7.11 1.01 0.12 -1.33 120.40 133.90 2a71 s VAL 166 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2a71 s VAL 166 Cb -0.18 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2a71 s VAL 166 CO -0.11 0.28 -0.13 0.42 0.00 0.00 0.00 175.10 175.56 2a71 s THR 167 N 1.72 1.11 -0.31 3.92 -4.23 -0.75 -0.54 115.64 116.57 2a71 s THR 167 Ca 0.07 -0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 60.05 2a71 s THR 167 Cb -0.16 -0.99 0.10 0.00 1.34 0.00 0.00 72.50 72.80 2a71 s THR 167 CO 0.09 0.34 0.12 -0.47 -0.54 0.00 0.00 174.62 174.15 2a71 s TYR 168 N 0.31 1.20 -0.61 3.99 5.04 -0.74 -1.65 117.35 124.89 2a71 s TYR 168 Ca -0.07 -1.45 -0.21 0.00 -2.44 0.00 0.00 57.07 52.90 2a71 s TYR 168 Cb -0.12 -1.42 0.08 0.00 0.35 0.00 0.00 41.96 40.86 2a71 s TYR 168 CO 0.02 -0.86 0.83 0.34 -1.34 0.00 0.00 175.55 174.54 2a71 s ASP 169 N 1.74 6.19 0.08 4.32 -1.08 -0.51 -2.48 116.67 124.92 2a71 s ASP 169 Ca 0.10 -1.13 -0.21 0.00 -0.52 0.00 0.00 52.55 50.78 2a71 s ASP 169 Cb -0.17 -2.36 -0.11 0.00 -1.46 0.00 0.00 42.92 38.81 2a71 s ASP 169 CO -0.28 -1.26 1.60 0.25 0.52 0.00 0.00 175.17 176.00 2a71 h LEU 170 N 10.64 0.19 -0.63 -1.34 7.12 -1.85 -2.39 115.31 127.05 2a71 h LEU 170 Ca -0.29 -0.18 0.06 0.00 0.13 0.00 0.00 57.88 57.60 2a71 h LEU 170 Cb 1.08 -0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 41.11 2a71 h LEU 170 CO 1.13 0.32 0.34 -0.33 -0.13 0.00 0.00 178.44 179.76 2a71 h GLU 171 N 0.05 0.61 -1.73 1.25 3.07 -1.97 -2.41 114.58 113.45 2a71 h GLU 171 Ca 0.04 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2a71 h GLU 171 Cb 0.19 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2a71 h GLU 171 CO -0.00 0.40 0.00 -3.47 -1.40 0.00 0.00 179.01 174.54 2a71 n ASP 172 N -4.82 3.00 -2.73 1.42 2.03 -1.21 -4.68 116.55 109.57 2a71 n ASP 172 Ca 0.08 -1.72 -0.17 0.00 0.52 0.00 0.00 54.79 53.50 2a71 n ASP 172 Cb 0.17 -0.60 0.06 0.00 -0.72 0.00 0.00 41.12 40.03 2a71 n ASP 172 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2a71 n ASP 173 N 1.26 -4.73 -0.95 1.67 10.43 -1.09 -3.89 116.55 119.26 2a71 n ASP 173 Ca 0.00 -0.40 -0.09 0.00 2.57 0.00 0.00 54.79 56.87 2a71 n ASP 173 Cb 0.34 -3.77 -0.02 0.00 1.84 0.00 0.00 41.12 39.51 2a71 n ASP 173 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2a71 n ASN 174 N -1.86 -3.47 -4.70 -2.24 3.02 -0.93 -4.75 115.26 100.33 2a71 n ASN 174 Ca -0.02 0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 2a71 n ASN 174 Cb 0.55 -2.45 -0.03 0.00 -0.61 0.00 0.00 39.78 37.24 2a71 n ASN 174 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2a71 s LEU 175 N -2.49 4.38 -0.13 3.41 2.96 -0.92 -4.31 118.68 121.58 2a71 s LEU 175 Ca 0.00 2.73 0.00 0.00 -0.22 0.00 0.00 54.13 56.64 2a71 s LEU 175 Cb 0.00 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.13 2a71 s LEU 175 CO 0.00 -0.95 -0.12 -0.22 -1.32 0.00 0.00 176.35 173.74 2a71 s LEU 176 N 2.05 1.50 -0.03 -0.68 2.96 0.01 -1.43 118.68 123.06 2a71 s LEU 176 Ca 0.77 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 2a71 s LEU 176 Cb -0.46 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.20 2a71 s LEU 176 CO 0.34 -0.07 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.49 2a71 s LYS 177 N 1.52 0.73 -0.10 1.98 2.20 -0.66 -1.32 119.74 124.10 2a71 s LYS 177 Ca 0.04 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 2a71 s LYS 177 Cb -0.13 -0.73 -0.02 0.00 -1.51 0.00 0.00 37.83 35.44 2a71 s LYS 177 CO -0.09 0.01 -0.10 0.08 -0.36 0.00 0.00 175.35 174.89 2a71 s VAL 178 N 0.49 3.38 0.03 4.02 1.01 -0.55 -1.80 120.40 126.98 2a71 s VAL 178 Ca -0.06 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2a71 s VAL 178 Cb -0.10 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 2a71 s VAL 178 CO 0.00 0.55 -0.11 -1.10 0.00 0.00 0.00 175.10 174.44 2a71 s GLN 179 N -0.19 0.78 -0.28 2.72 -0.21 -0.44 -0.87 119.66 121.18 2a71 s GLN 179 Ca 0.01 -0.63 -0.00 0.00 0.02 0.00 0.00 55.36 54.76 2a71 s GLN 179 Cb -0.13 -0.74 0.05 0.00 1.00 0.00 0.00 33.01 33.19 2a71 s GLN 179 CO 0.03 0.18 -0.05 0.08 -2.12 0.00 0.00 175.29 173.41 2a71 s VAL 180 N -0.77 2.69 -1.32 1.09 1.01 -0.23 -0.61 120.40 122.26 2a71 s VAL 180 Ca -0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 60.57 2a71 s VAL 180 Cb -0.07 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.80 2a71 s VAL 180 CO 0.01 -0.01 0.79 0.47 0.00 0.00 0.00 175.10 176.35 2a71 n ASP 181 N 4.57 -1.82 -3.52 3.32 9.92 0.03 -2.49 116.55 126.56 2a71 n ASP 181 Ca -0.14 -0.78 -0.23 0.00 -0.53 0.00 0.00 54.79 53.11 2a71 n ASP 181 Cb 0.44 -4.23 0.08 0.00 -0.64 0.00 0.00 41.12 36.77 2a71 n ASP 181 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2a71 n ASN 182 N -3.04 -5.97 -3.94 -2.24 3.02 -1.26 -5.01 115.26 96.81 2a71 n ASN 182 Ca -0.25 -0.53 -0.21 0.00 -0.03 0.00 0.00 54.58 53.55 2a71 n ASN 182 Cb 0.66 -4.94 -0.16 0.00 -0.61 0.00 0.00 39.78 34.72 2a71 n ASN 182 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2a71 s LYS 183 N -6.21 1.11 -0.16 3.52 1.02 -1.04 -5.09 119.74 112.88 2a71 s LYS 183 Ca 0.53 -0.22 -0.29 0.00 0.02 0.00 0.00 55.97 56.01 2a71 s LYS 183 Cb -0.23 -1.01 -0.03 0.00 -0.52 0.00 0.00 37.83 36.03 2a71 s LYS 183 CO 0.71 -0.03 1.57 0.08 -0.92 0.00 0.00 175.35 176.76 2a71 s VAL 184 N 0.77 3.76 -0.12 3.17 1.01 -1.26 -1.06 120.40 126.66 2a71 s VAL 184 Ca -0.12 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 2a71 s VAL 184 Cb -0.15 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2a71 s VAL 184 CO 0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 175.10 174.83 2a71 n PHE 186 N -4.65 -1.88 -3.48 0.00 1.16 -1.13 -4.59 117.46 102.90 2a71 n PHE 186 Ca -0.03 -1.94 -0.12 0.00 -1.87 0.00 0.00 57.45 53.49 2a71 n PHE 186 Cb 0.12 0.71 -0.03 0.00 -1.61 0.00 0.00 39.48 38.67 2a71 n PHE 186 CO 0.00 0.00 0.00 1.14 -1.87 0.00 0.00 176.76 176.03 2a71 s GLN 187 N -2.38 1.03 -0.13 3.97 -2.07 -1.26 -1.48 119.66 117.34 2a71 s GLN 187 Ca 0.20 -0.22 -0.30 0.00 -1.82 0.00 0.00 55.36 53.22 2a71 s GLN 187 Cb -0.03 0.48 0.12 0.00 -1.09 0.00 0.00 33.01 32.49 2a71 s GLN 187 CO 0.15 -0.42 0.96 -0.08 -1.32 0.00 0.00 175.29 174.58 2a71 s THR 188 N -2.82 0.00 -0.06 3.63 -1.32 -0.43 -5.00 115.64 109.64 2a71 s THR 188 Ca -0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 2a71 s THR 188 Cb -0.01 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.11 2a71 s THR 188 CO -0.06 0.00 1.05 0.54 -2.21 0.00 0.00 174.62 173.94 2a71 n ARG 189 N 0.60 2.14 0.19 7.08 1.74 -1.26 -0.81 116.66 126.34 2a71 n ARG 189 Ca -0.11 -1.94 0.10 0.00 -0.77 0.00 0.00 57.85 55.13 2a71 n ARG 189 Cb 0.58 -1.20 0.12 0.00 -1.02 0.00 0.00 32.46 30.94 2a71 n ARG 189 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2a71 h LYS 190 N 0.00 0.00 -5.89 5.56 1.57 -1.90 -3.45 116.57 112.46 2a71 h LYS 190 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2a71 h LYS 190 Cb 0.74 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.99 2a71 h LYS 190 CO 0.00 0.12 -0.14 0.08 -0.57 0.00 0.00 179.45 178.93 2a71 s VAL 191 N -3.16 5.07 -0.30 0.50 1.01 -1.26 -5.05 120.40 117.20 2a71 s VAL 191 Ca 0.05 0.95 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 2a71 s VAL 191 Cb 0.06 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.75 2a71 s VAL 191 CO 0.70 0.44 0.13 -0.60 0.00 0.00 0.00 175.10 175.77 2a71 s ARG 192 N -0.16 0.31 -0.28 2.72 3.52 -1.26 -4.82 118.95 118.97 2a71 s ARG 192 Ca 0.26 -0.70 -0.28 0.00 -0.13 0.00 0.00 55.73 54.87 2a71 s ARG 192 Cb -0.16 -1.32 -0.03 0.00 -1.56 0.00 0.00 34.95 31.88 2a71 s ARG 192 CO 0.12 -1.03 1.91 -0.06 -0.81 0.00 0.00 175.30 175.43 2a71 s PHE 193 N 1.92 1.64 0.50 5.12 0.08 -1.26 -5.00 117.98 120.98 2a71 s PHE 193 Ca 0.10 0.57 -0.23 0.00 0.12 0.00 0.00 56.93 57.48 2a71 s PHE 193 Cb -0.17 -4.07 -0.07 0.00 -0.57 0.00 0.00 43.02 38.15 2a71 s PHE 193 CO -0.32 -3.33 1.39 -0.35 -0.10 0.00 0.00 175.22 172.51 2a71 n PRO 194 N 8.45 1.95 -0.95 0.24 -0.04 -1.26 -4.97 135.00 138.41 2a71 n PRO 194 Ca 0.24 0.70 -0.33 0.00 -0.04 0.00 0.00 63.50 64.08 2a71 n PRO 194 Cb 0.46 -2.59 0.14 0.00 -0.04 0.00 0.00 33.50 31.47 2a71 n PRO 194 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2a71 n SER 195 N -0.59 0.61 0.00 3.54 3.41 -1.26 -4.92 113.62 114.41 2a71 n SER 195 Ca 0.08 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2a71 n SER 195 Cb 0.43 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 2a71 n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a71 n GLY 196 N 0.53 -0.11 3.63 5.00 0.00 -1.26 -5.07 105.19 107.91 2a71 n GLY 196 Ca 0.13 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 2a71 n GLY 196 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a71 s SER 197 N -2.19 5.57 0.04 1.61 0.15 -1.26 -3.03 113.70 114.58 2a71 s SER 197 Ca 0.00 0.08 0.08 0.00 0.70 0.00 0.00 55.95 56.80 2a71 s SER 197 Cb 0.00 -1.94 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 2a71 s SER 197 CO 0.00 0.19 -0.21 -0.31 1.20 0.00 0.00 173.24 174.11 2a71 s TYR 198 N 0.29 2.48 -0.00 3.44 1.51 -0.41 -2.83 117.35 121.84 2a71 s TYR 198 Ca 0.03 -0.31 -0.07 0.00 -1.01 0.00 0.00 57.07 55.71 2a71 s TYR 198 Cb -0.12 -1.45 -0.05 0.00 -0.11 0.00 0.00 41.96 40.23 2a71 s TYR 198 CO 0.00 0.20 0.26 1.03 -1.11 0.00 0.00 175.55 175.94 2a71 s ARG 199 N -1.32 3.58 -0.10 -0.62 1.81 0.19 -1.71 118.95 120.78 2a71 s ARG 199 Ca 0.13 -0.06 -0.01 0.00 -1.72 0.00 0.00 55.73 54.08 2a71 s ARG 199 Cb -0.10 -3.09 0.03 0.00 -0.45 0.00 0.00 34.95 31.33 2a71 s ARG 199 CO 0.04 0.66 -0.05 0.42 -0.68 0.00 0.00 175.30 175.69 2a71 s ILE 200 N -1.27 0.78 0.11 1.52 1.01 -1.26 -1.95 121.20 120.15 2a71 s ILE 200 Ca 0.26 -0.14 -0.25 0.00 0.00 0.00 0.00 60.65 60.53 2a71 s ILE 200 Cb -0.13 -0.85 0.08 0.00 0.01 0.00 0.00 42.46 41.57 2a71 s ILE 200 CO 0.15 0.33 1.12 -0.83 0.00 0.00 0.00 174.94 175.70 2a71 s GLY 201 N 1.78 -0.04 0.01 6.18 0.00 -1.11 -2.10 107.32 112.04 2a71 s GLY 201 Ca 0.04 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.73 2a71 s GLY 201 CO -0.07 2.64 -0.15 0.54 0.00 0.00 0.00 173.10 176.07 2a71 s VAL 202 N -2.29 1.16 0.17 1.40 0.11 -0.42 -0.16 120.40 120.38 2a71 s VAL 202 Ca 0.22 -0.78 0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2a71 s VAL 202 Cb -0.01 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 2a71 s VAL 202 CO 0.03 0.20 -0.07 0.42 -3.33 0.00 0.00 175.10 172.35 2a71 s THR 203 N -0.54 1.14 0.18 5.04 -4.23 -0.36 -1.50 115.64 115.37 2a71 s THR 203 Ca 0.04 -2.06 -0.23 0.00 -1.18 0.00 0.00 61.69 58.27 2a71 s THR 203 Cb -0.07 -2.00 0.06 0.00 1.34 0.00 0.00 72.50 71.84 2a71 s THR 203 CO 0.00 -0.62 0.63 0.00 -0.54 0.00 0.00 174.62 174.10 2a71 s ALA 204 N -3.35 -1.52 0.12 3.99 0.00 -0.80 0.09 121.76 120.29 2a71 s ALA 204 Ca 0.20 0.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.25 2a71 s ALA 204 Cb 0.03 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.09 2a71 s ALA 204 CO 0.03 -0.83 0.56 1.14 0.00 0.00 0.00 175.76 176.66 2a71 s GLN 205 N -3.78 1.18 0.00 0.00 -2.07 -0.88 -1.56 119.66 112.55 2a71 s GLN 205 Ca 0.03 -0.41 0.02 0.00 -1.82 0.00 0.00 55.36 53.18 2a71 s GLN 205 Cb -0.02 0.54 0.03 0.00 -1.09 0.00 0.00 33.01 32.47 2a71 s GLN 205 CO -0.08 -0.48 0.81 0.27 -1.32 0.00 0.00 175.29 174.48 2a71 n ASN 206 N -0.11 1.67 -0.07 12.60 0.23 -0.95 -1.32 115.26 127.32 2a71 n ASN 206 Ca -0.17 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.32 2a71 n ASN 206 Cb 0.63 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 2a71 n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2a71 n GLY 207 N -0.13 0.68 0.27 4.83 0.00 -1.26 -4.37 105.19 105.20 2a71 n GLY 207 Ca 0.01 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.23 2a71 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a71 n ALA 208 N 1.53 2.48 -2.14 4.61 0.00 -1.26 -2.84 120.51 122.90 2a71 n ALA 208 Ca 0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 2a71 n ALA 208 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 2a71 n ALA 208 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2a71 s VAL 209 N -0.57 3.74 -0.07 0.00 1.01 -1.26 -2.29 120.40 120.96 2a71 s VAL 209 Ca 0.08 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.89 2a71 s VAL 209 Cb 0.06 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2a71 s VAL 209 CO 0.08 -0.30 0.00 -3.20 0.00 0.00 0.00 175.10 171.68 2a71 n ASN 210 N 8.32 -3.58 -3.87 3.32 5.15 -1.26 -3.42 115.26 119.93 2a71 n ASN 210 Ca 0.18 0.02 -0.26 0.00 -0.60 0.00 0.00 54.58 53.92 2a71 n ASN 210 Cb 0.45 -1.14 -0.00 0.00 -0.53 0.00 0.00 39.78 38.57 2a71 n ASN 210 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2a71 n ASN 211 N 0.04 -1.48 -4.84 1.20 3.02 -0.97 -4.94 115.26 107.30 2a71 n ASN 211 Ca -0.01 -0.99 -0.32 0.00 -0.03 0.00 0.00 54.58 53.23 2a71 n ASN 211 Cb 0.10 -3.23 -0.05 0.00 -0.61 0.00 0.00 39.78 35.99 2a71 n ASN 211 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2a71 s ASN 212 N -4.18 6.77 -0.30 6.41 2.20 -1.22 -4.95 114.94 119.68 2a71 s ASN 212 Ca 0.11 1.49 0.08 0.00 -0.94 0.00 0.00 52.86 53.59 2a71 s ASN 212 Cb -0.04 -2.46 0.47 0.00 -2.00 0.00 0.00 41.25 37.21 2a71 s ASN 212 CO 0.87 -0.38 1.36 0.00 -2.94 0.00 0.00 177.10 176.01 2a71 n ALA 213 N -0.88 4.54 -1.73 3.54 0.00 -1.26 -4.42 120.51 120.30 2a71 n ALA 213 Ca 0.05 -3.42 -0.42 0.00 0.00 0.00 0.00 53.44 49.65 2a71 n ALA 213 Cb 0.54 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 2a71 n ALA 213 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2a71 s GLU 214 N -3.41 4.13 -0.27 0.00 2.12 -1.26 -4.65 118.70 115.36 2a71 s GLU 214 Ca 0.46 2.60 -0.00 0.00 0.36 0.00 0.00 54.97 58.40 2a71 s GLU 214 Cb 0.41 -3.28 0.05 0.00 0.26 0.00 0.00 34.13 31.57 2a71 s GLU 214 CO -0.01 -0.79 -0.05 0.45 -0.54 0.00 0.00 175.26 174.32 2a71 s SER 215 N 1.77 4.58 -0.24 -1.70 0.15 -0.14 -4.42 113.70 113.70 2a71 s SER 215 Ca 0.77 -1.22 -0.13 0.00 0.70 0.00 0.00 55.95 56.07 2a71 s SER 215 Cb -0.48 -1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 2a71 s SER 215 CO 0.34 -0.20 0.29 -0.36 1.20 0.00 0.00 173.24 174.50 2a71 s PHE 216 N 1.22 3.31 0.05 3.44 0.08 -1.22 -1.80 117.98 123.05 2a71 s PHE 216 Ca -0.05 0.38 0.07 0.00 0.12 0.00 0.00 56.93 57.45 2a71 s PHE 216 Cb -0.19 -2.43 -0.03 0.00 -0.57 0.00 0.00 43.02 39.80 2a71 s PHE 216 CO -0.03 -0.05 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.63 2a71 s GLU 217 N 1.45 1.31 -0.12 0.44 2.02 0.13 0.35 118.70 124.27 2a71 s GLU 217 Ca 0.13 -0.92 -0.00 0.00 0.02 0.00 0.00 54.97 54.19 2a71 s GLU 217 Cb -0.15 -1.42 -0.02 0.00 0.10 0.00 0.00 34.13 32.65 2a71 s GLU 217 CO 0.08 0.36 -0.11 0.42 0.02 0.00 0.00 175.26 176.03 2a71 s ILE 218 N -0.82 3.27 -0.02 -1.63 -1.09 0.98 -0.99 121.20 120.89 2a71 s ILE 218 Ca 0.07 -0.60 0.13 0.00 -2.23 0.00 0.00 60.65 58.02 2a71 s ILE 218 Cb -0.09 -2.37 -0.20 0.00 -1.58 0.00 0.00 42.46 38.22 2a71 s ILE 218 CO 0.02 0.53 0.27 0.49 -1.23 0.00 0.00 174.94 175.02 2a71 n PHE 219 N 3.28 0.00 -3.58 3.97 3.01 -0.10 -0.53 117.46 123.51 2a71 n PHE 219 Ca -0.18 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.17 2a71 n PHE 219 Cb 0.53 -0.31 -0.06 0.00 -0.01 0.00 0.00 39.48 39.64 2a71 n PHE 219 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2a71 s LYS 220 N -2.87 0.63 -0.15 -1.08 2.20 -1.15 -4.21 119.74 113.12 2a71 s LYS 220 Ca -0.05 0.24 -0.08 0.00 -0.36 0.00 0.00 55.97 55.72 2a71 s LYS 220 Cb 0.08 0.30 0.05 0.00 -1.51 0.00 0.00 37.83 36.75 2a71 s LYS 220 CO 0.53 -0.18 0.36 1.41 -0.36 0.00 0.00 175.35 177.11 2a71 s MET 221 N -0.88 0.34 -0.02 4.03 1.75 -1.26 -1.30 119.30 121.96 2a71 s MET 221 Ca -0.02 0.70 0.04 0.00 -1.25 0.00 0.00 55.69 55.16 2a71 s MET 221 Cb -0.01 -0.04 -0.01 0.00 2.84 0.00 0.00 34.83 37.61 2a71 s MET 221 CO 0.01 -0.16 -0.13 -0.65 -0.65 0.00 0.00 175.02 173.44 2a71 s GLN 222 N 1.31 1.21 -0.00 4.11 -0.21 -0.81 -0.95 119.66 124.32 2a71 s GLN 222 Ca -0.09 -0.47 0.06 0.00 0.02 0.00 0.00 55.36 54.87 2a71 s GLN 222 Cb -0.09 -1.13 -0.02 0.00 1.00 0.00 0.00 33.01 32.77 2a71 s GLN 222 CO -0.11 0.25 -0.18 0.12 -2.12 0.00 0.00 175.29 173.25 2a71 s PHE 223 N -0.14 1.58 0.16 0.91 5.36 -1.26 -1.63 117.98 122.96 2a71 s PHE 223 Ca 0.02 -0.31 0.01 0.00 -0.96 0.00 0.00 56.93 55.69 2a71 s PHE 223 Cb -0.07 -1.01 -0.04 0.00 -0.34 0.00 0.00 43.02 41.56 2a71 s PHE 223 CO 0.00 -0.01 0.00 -0.06 -1.46 0.00 0.00 175.22 173.69 2a71 s PHE 224 N -0.47 1.13 -0.17 10.12 0.08 -0.00 -2.02 117.98 126.65 2a71 s PHE 224 Ca 0.07 -1.04 -0.02 0.00 0.12 0.00 0.00 56.93 56.06 2a71 s PHE 224 Cb -0.07 -0.65 -0.01 0.00 -0.57 0.00 0.00 43.02 41.72 2a71 s PHE 224 CO -0.00 -0.25 -0.10 -0.80 -0.10 0.00 0.00 175.22 173.97 2a71 s ASN 225 N -3.14 4.08 0.32 1.36 0.01 -0.49 -1.92 114.94 115.15 2a71 s ASN 225 Ca 0.23 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 2a71 s ASN 225 Cb 0.06 -1.66 0.00 0.00 0.41 0.00 0.00 41.25 40.07 2a71 s ASN 225 CO 0.03 0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.31 2a71 n GLY 226 N 4.10 -2.38 0.82 0.66 0.00 -0.90 -4.85 105.19 102.63 2a71 n GLY 226 Ca -0.18 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 44.72 2a71 n GLY 226 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65