#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn n ARG 12 N 0.00 1.12 -3.95 1.97 0.63 -1.26 -5.02 116.66 110.14 2wrn n ARG 12 Ca 0.00 0.42 -0.26 0.00 -0.92 0.00 0.00 57.85 57.09 2wrn n ARG 12 Cb 0.00 -2.17 -0.17 0.00 0.45 0.00 0.00 32.46 30.57 2wrn n ARG 12 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2wrn s GLN 13 N -2.54 1.36 -0.34 -0.14 -0.21 -1.26 -4.91 119.66 111.62 2wrn s GLN 13 Ca 0.71 -0.20 0.03 0.00 0.02 0.00 0.00 55.36 55.92 2wrn s GLN 13 Cb -0.45 -1.44 0.10 0.00 1.00 0.00 0.00 33.01 32.22 2wrn s GLN 13 CO 0.50 -0.24 0.07 0.14 -2.12 0.00 0.00 175.29 173.64 2wrn s VAL 14 N 1.63 1.91 -0.33 1.09 -7.23 -1.05 -4.95 120.40 111.47 2wrn s VAL 14 Ca 0.03 -2.12 0.12 0.00 -1.81 0.00 0.00 61.98 58.20 2wrn s VAL 14 Cb -0.13 -2.42 0.12 0.00 0.56 0.00 0.00 36.38 34.51 2wrn s VAL 14 CO -0.06 -0.63 1.30 0.00 -0.31 0.00 0.00 175.10 175.40 2wrn n ALA 15 N 4.38 0.84 -2.61 1.32 0.00 -0.40 -4.20 120.51 119.85 2wrn n ALA 15 Ca 0.02 0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.19 2wrn n ALA 15 Cb 0.42 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 2wrn n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wrn s SER 16 N -3.44 6.11 0.00 0.00 0.15 -1.26 0.39 113.70 115.65 2wrn s SER 16 Ca -0.01 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2wrn s SER 16 Cb 0.03 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2wrn s SER 16 CO 0.11 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2wrn n GLY 17 N 4.83 5.55 3.64 9.45 0.00 0.49 -4.17 105.19 124.98 2wrn n GLY 17 Ca -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 46.02 44.40 2wrn n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wrn s ARG 18 N 1.69 0.38 -0.09 1.61 3.52 -0.90 -3.29 118.95 121.88 2wrn s ARG 18 Ca 0.00 0.60 0.02 0.00 -0.13 0.00 0.00 55.73 56.22 2wrn s ARG 18 Cb 0.00 0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.51 2wrn s ARG 18 CO 0.00 -0.07 -0.16 0.00 -0.81 0.00 0.00 175.30 174.26 2wrn s ALA 19 N 0.98 1.59 -0.07 6.12 0.00 -0.93 0.16 121.76 129.61 2wrn s ALA 19 Ca -0.05 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 2wrn s ALA 19 Cb -0.04 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 2wrn s ALA 19 CO -0.13 0.09 0.14 0.71 0.00 0.00 0.00 175.76 176.58 2wrn s TYR 20 N 0.70 3.53 -0.22 0.00 1.51 0.01 -1.62 117.35 121.25 2wrn s TYR 20 Ca -0.13 0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.36 2wrn s TYR 20 Cb -0.16 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.87 2wrn s TYR 20 CO 0.03 0.68 -0.07 0.42 -1.11 0.00 0.00 175.55 175.50 2wrn s ILE 21 N -1.13 1.59 -1.03 2.71 1.09 0.49 -1.83 121.20 123.10 2wrn s ILE 21 Ca 0.19 -1.17 -0.04 0.00 -1.10 0.00 0.00 60.65 58.54 2wrn s ILE 21 Cb -0.12 -1.79 0.29 0.00 -1.06 0.00 0.00 42.46 39.78 2wrn s ILE 21 CO 0.09 -0.01 1.26 1.57 -0.10 0.00 0.00 174.94 177.76 2wrn n HIS 22 N 4.67 3.28 -2.66 3.97 -0.00 0.14 -0.08 115.22 124.54 2wrn n HIS 22 Ca -0.13 -3.19 -0.43 0.00 0.46 0.00 0.00 57.72 54.43 2wrn n HIS 22 Cb 0.45 -1.28 -0.02 0.00 -0.12 0.00 0.00 29.99 29.01 2wrn n HIS 22 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wrn s ALA 23 N -2.29 3.65 0.00 1.57 0.00 -1.14 -2.01 121.76 121.54 2wrn s ALA 23 Ca 0.32 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2wrn s ALA 23 Cb 0.01 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2wrn s ALA 23 CO 0.03 -1.14 0.00 -1.13 0.00 0.00 0.00 175.76 173.52 2wrn n SER 24 N 6.43 1.04 -0.08 0.00 3.41 0.18 -3.80 113.62 120.80 2wrn n SER 24 Ca 0.12 -0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.68 2wrn n SER 24 Cb 0.46 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.26 2wrn n SER 24 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2wrn n TYR 25 N -0.00 0.00 1.19 7.33 4.02 -1.26 -3.82 117.16 124.62 2wrn n TYR 25 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 2wrn n TYR 25 Cb 0.00 -0.85 0.25 0.00 -0.02 0.00 0.00 39.34 38.72 2wrn n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wrn n ASN 26 N -2.61 2.07 0.00 7.72 3.02 -1.26 -4.62 115.26 119.59 2wrn n ASN 26 Ca -0.25 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 2wrn n ASN 26 Cb 1.00 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 40.27 2wrn n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wrn n ASN 27 N 0.45 0.00 -3.99 6.41 5.15 -1.26 -2.78 115.26 119.24 2wrn n ASN 27 Ca 0.14 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.84 2wrn n ASN 27 Cb 0.46 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.55 2wrn n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wrn s THR 28 N -2.00 1.38 -0.20 -0.44 2.01 -1.26 0.51 115.64 115.64 2wrn s THR 28 Ca 0.00 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2wrn s THR 28 Cb 0.00 -1.31 0.03 0.00 0.01 0.00 0.00 72.50 71.23 2wrn s THR 28 CO 0.00 0.43 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.67 2wrn s ILE 29 N 1.49 2.06 -0.24 1.82 2.07 -0.85 -2.43 121.20 125.12 2wrn s ILE 29 Ca 0.03 -1.08 -0.06 0.00 -1.41 0.00 0.00 60.65 58.13 2wrn s ILE 29 Cb -0.13 -1.94 -0.02 0.00 0.13 0.00 0.00 42.46 40.51 2wrn s ILE 29 CO -0.09 0.41 0.03 0.68 -1.91 0.00 0.00 174.94 174.06 2wrn s VAL 30 N 1.26 3.90 0.11 4.00 -7.23 -0.49 0.23 120.40 122.18 2wrn s VAL 30 Ca 0.02 -0.37 0.08 0.00 -1.81 0.00 0.00 61.98 59.90 2wrn s VAL 30 Cb -0.15 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 2wrn s VAL 30 CO -0.11 0.33 -0.15 0.28 -0.31 0.00 0.00 175.10 175.14 2wrn s THR 31 N 1.55 3.03 0.09 5.32 -1.32 -0.76 -0.44 115.64 123.11 2wrn s THR 31 Ca 0.06 -1.40 0.09 0.00 -1.21 0.00 0.00 61.69 59.22 2wrn s THR 31 Cb -0.15 -2.40 -0.03 0.00 -1.51 0.00 0.00 72.50 68.41 2wrn s THR 31 CO 0.01 0.11 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.67 2wrn s ILE 32 N -1.16 1.93 0.31 5.08 1.01 -0.49 -0.81 121.20 127.07 2wrn s ILE 32 Ca 0.19 -1.52 0.05 0.00 0.00 0.00 0.00 60.65 59.37 2wrn s ILE 32 Cb -0.11 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 2wrn s ILE 32 CO 0.11 0.10 0.18 0.35 0.00 0.00 0.00 174.94 175.68 2wrn n THR 33 N 1.29 0.00 -3.18 2.92 -2.24 0.12 -1.28 114.28 111.92 2wrn n THR 33 Ca -0.18 -2.01 -0.20 0.00 -2.27 0.00 0.00 64.05 59.38 2wrn n THR 33 Cb 0.53 0.86 0.05 0.00 -2.10 0.00 0.00 70.33 69.66 2wrn n THR 33 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2wrn s ASP 34 N -3.03 5.06 0.00 3.42 3.84 -0.72 -2.11 116.67 123.13 2wrn s ASP 34 Ca 0.25 -0.88 0.00 0.00 -0.00 0.00 0.00 52.55 51.92 2wrn s ASP 34 Cb 0.01 0.24 0.00 0.00 -1.38 0.00 0.00 42.92 41.79 2wrn s ASP 34 CO 0.18 -1.26 0.00 -2.65 -0.00 0.00 0.00 175.17 171.44 2wrn n PRO 35 N -2.13 0.00 0.00 2.11 -0.02 -1.26 -1.32 135.00 132.38 2wrn n PRO 35 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2wrn n PRO 35 Cb 0.62 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 2wrn n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wrn n ASP 36 N 1.09 1.81 0.00 2.55 9.92 -1.26 -5.01 116.55 125.66 2wrn n ASP 36 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2wrn n ASP 36 Cb 0.00 0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 2wrn n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wrn n GLY 37 N 1.23 0.88 3.70 0.44 0.00 -0.43 -5.08 105.19 105.93 2wrn n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wrn n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wrn s ASN 38 N -1.94 7.14 0.93 1.61 0.02 -1.26 -4.84 114.94 116.59 2wrn s ASN 38 Ca 0.00 1.38 -0.16 0.00 -1.02 0.00 0.00 52.86 53.06 2wrn s ASN 38 Cb 0.00 -2.49 0.03 0.00 0.02 0.00 0.00 41.25 38.81 2wrn s ASN 38 CO 0.00 -0.25 -0.30 -2.65 0.02 0.00 0.00 177.10 173.92 2wrn n PRO 39 N 4.22 -1.11 0.00 -0.60 -0.02 -1.26 -1.76 135.00 134.47 2wrn n PRO 39 Ca 0.03 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 2wrn n PRO 39 Cb 0.50 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 2wrn n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wrn n ILE 40 N -3.90 0.00 -3.77 4.25 2.08 -0.41 -4.49 119.36 113.12 2wrn n ILE 40 Ca 0.02 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.19 2wrn n ILE 40 Cb 0.44 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 39.19 2wrn n ILE 40 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2wrn s THR 41 N -0.88 -0.04 0.10 1.39 -1.32 -1.23 -5.04 115.64 108.63 2wrn s THR 41 Ca 0.00 0.14 0.04 0.00 -1.21 0.00 0.00 61.69 60.66 2wrn s THR 41 Cb 0.00 -0.21 -0.04 0.00 -1.51 0.00 0.00 72.50 70.75 2wrn s THR 41 CO 0.00 0.06 -0.11 -1.66 -2.21 0.00 0.00 174.62 170.70 2wrn s TRP 42 N 0.91 1.13 0.09 9.09 1.48 -1.26 -1.40 118.94 128.97 2wrn s TRP 42 Ca -0.07 -0.65 -0.12 0.00 -1.06 0.00 0.00 56.10 54.20 2wrn s TRP 42 Cb -0.09 -0.61 0.01 0.00 -1.16 0.00 0.00 33.47 31.62 2wrn s TRP 42 CO -0.04 0.03 0.28 0.45 -4.06 0.00 0.00 176.95 173.61 2wrn s SER 43 N -2.50 -0.05 0.34 -2.66 0.15 0.41 -4.98 113.70 104.42 2wrn s SER 43 Ca 0.07 -0.42 -0.04 0.00 0.70 0.00 0.00 55.95 56.25 2wrn s SER 43 Cb -0.03 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 2wrn s SER 43 CO 0.00 -0.73 0.52 -1.54 1.20 0.00 0.00 173.24 172.70 2wrn n SER 44 N 0.09 -1.48 0.25 5.45 3.41 -1.26 -1.40 113.62 118.68 2wrn n SER 44 Ca -0.16 -2.73 0.08 0.00 -0.26 0.00 0.00 58.87 55.80 2wrn n SER 44 Cb 0.62 2.66 0.63 0.00 -0.26 0.00 0.00 64.21 67.87 2wrn n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wrn h GLY 45 N 1.86 0.02 0.58 5.00 0.00 -1.73 -2.79 103.07 106.01 2wrn h GLY 45 Ca -0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 2wrn h GLY 45 CO 0.36 0.01 -0.14 -1.33 0.00 0.00 0.00 176.54 175.44 2wrn h GLY 46 N 0.02 0.22 1.42 4.60 0.00 -1.88 -3.05 103.07 104.39 2wrn h GLY 46 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2wrn h GLY 46 CO -0.00 0.24 0.17 -0.62 0.00 0.00 0.00 176.54 176.33 2wrn n VAL 47 N -4.62 1.14 -3.51 4.60 0.31 -1.05 -4.42 118.33 110.78 2wrn n VAL 47 Ca -0.08 0.60 -0.19 0.00 -0.01 0.00 0.00 64.34 64.66 2wrn n VAL 47 Cb 0.38 -1.60 -0.01 0.00 -0.91 0.00 0.00 33.84 31.70 2wrn n VAL 47 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wrn s ILE 48 N -2.99 3.79 0.59 2.52 -1.09 -1.15 -4.96 121.20 117.90 2wrn s ILE 48 Ca -0.01 -1.10 0.37 0.00 -2.23 0.00 0.00 60.65 57.69 2wrn s ILE 48 Cb 0.02 -3.30 0.55 0.00 -1.58 0.00 0.00 42.46 38.14 2wrn s ILE 48 CO 0.06 -0.14 1.45 1.23 -1.23 0.00 0.00 174.94 176.31 2wrn h GLY 49 N 0.96 0.00 -4.60 6.18 0.00 -1.82 -3.42 103.07 100.37 2wrn h GLY 49 Ca -0.45 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.36 2wrn h GLY 49 CO 0.53 0.00 0.84 -0.19 0.00 0.00 0.00 176.54 177.73 2wrn s TYR 50 N -4.64 3.10 -0.02 5.60 1.51 -1.26 -5.02 117.35 116.61 2wrn s TYR 50 Ca -0.04 0.71 0.05 0.00 -1.01 0.00 0.00 57.07 56.77 2wrn s TYR 50 Cb 0.20 -3.86 -0.01 0.00 -0.11 0.00 0.00 41.96 38.18 2wrn s TYR 50 CO 0.66 -3.15 -0.16 0.21 -1.11 0.00 0.00 175.55 172.01 2wrn s LYS 51 N 1.18 1.41 5.28 -0.62 2.20 -1.26 -4.27 119.74 123.65 2wrn s LYS 51 Ca 0.69 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 2wrn s LYS 51 Cb -0.42 -1.31 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 2wrn s LYS 51 CO 0.31 0.29 0.00 0.41 -0.36 0.00 0.00 175.35 176.00 2wrn n GLY 52 N 2.88 1.53 0.14 5.54 0.00 -1.26 -4.14 105.19 109.88 2wrn n GLY 52 Ca -0.16 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 2wrn n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wrn h SER 53 N 0.00 0.68 0.26 1.61 4.64 -1.98 -3.31 113.55 115.45 2wrn h SER 53 Ca 0.00 -0.91 -0.00 0.00 -0.47 0.00 0.00 61.79 60.40 2wrn h SER 53 Cb 0.00 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2wrn h SER 53 CO 0.00 1.54 -0.02 0.03 -0.87 0.00 0.00 176.83 177.51 2wrn h ARG 54 N -0.07 0.00 -0.50 4.77 3.08 -1.91 -2.50 114.38 117.25 2wrn h ARG 54 Ca -0.19 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.96 2wrn h ARG 54 Cb 1.87 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.82 2wrn h ARG 54 CO 0.21 0.02 -0.16 0.87 -1.07 0.00 0.00 179.97 179.83 2wrn h LYS 55 N 0.00 -0.05 0.00 0.04 1.57 -1.76 0.18 116.57 116.55 2wrn h LYS 55 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wrn h LYS 55 Cb 0.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2wrn h LYS 55 CO 0.00 -0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.26 2wrn n GLY 56 N -1.38 -0.27 3.52 3.86 0.00 -0.94 -4.20 105.19 105.78 2wrn n GLY 56 Ca 0.04 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2wrn n GLY 56 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wrn s THR 57 N -2.00 1.83 -0.05 2.61 -1.32 0.64 -4.55 115.64 112.80 2wrn s THR 57 Ca 0.12 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.54 2wrn s THR 57 Cb 0.05 -2.24 -0.28 0.00 -1.51 0.00 0.00 72.50 68.52 2wrn s THR 57 CO 0.09 0.00 0.65 1.55 -2.21 0.00 0.00 174.62 174.70 2wrn h PRO 58 N -2.57 0.30 0.33 7.08 0.13 -1.87 -2.53 132.00 132.87 2wrn h PRO 58 Ca -0.56 -0.51 -0.00 0.00 -0.87 0.00 0.00 66.00 64.06 2wrn h PRO 58 Cb 1.33 0.19 -0.03 0.00 0.13 0.00 0.00 31.00 32.62 2wrn h PRO 58 CO 0.48 1.18 -0.51 -0.92 -0.23 0.00 0.00 178.00 178.00 2wrn h TYR 59 N 0.08 -1.44 -0.83 1.56 3.20 -1.93 0.20 116.97 117.81 2wrn h TYR 59 Ca -0.33 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.66 2wrn h TYR 59 Cb 2.06 0.58 -0.06 0.00 1.54 0.00 0.00 36.73 40.85 2wrn h TYR 59 CO 0.08 -0.63 0.54 0.00 -1.64 0.00 0.00 178.16 176.51 2wrn h ALA 60 N -0.77 1.73 0.03 1.82 0.00 -1.83 0.51 119.26 120.74 2wrn h ALA 60 Ca -0.04 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wrn h ALA 60 Cb 0.81 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2wrn h ALA 60 CO -0.16 0.10 -0.28 0.00 0.00 0.00 0.00 179.25 178.92 2wrn h ALA 61 N 1.59 -0.40 -2.54 0.00 0.00 -0.82 -2.99 119.26 114.09 2wrn h ALA 61 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2wrn h ALA 61 Cb 0.45 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2wrn h ALA 61 CO -0.15 -0.79 0.00 0.94 0.00 0.00 0.00 179.25 179.25 2wrn n GLN 62 N -5.39 0.00 -0.16 0.00 7.27 0.59 -2.02 117.38 117.68 2wrn n GLN 62 Ca -0.05 0.54 0.05 0.00 0.07 0.00 0.00 57.00 57.60 2wrn n GLN 62 Cb 0.30 -1.08 0.10 0.00 2.41 0.00 0.00 30.24 31.97 2wrn n GLN 62 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2wrn n LEU 63 N -1.26 -0.10 0.39 1.69 4.77 -0.92 -0.48 117.00 121.08 2wrn n LEU 63 Ca 0.00 0.76 -0.17 0.00 -0.03 0.00 0.00 56.01 56.57 2wrn n LEU 63 Cb 0.00 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 40.75 2wrn n LEU 63 CO 0.00 -0.75 0.53 0.00 -1.33 0.00 0.00 177.39 175.84 2wrn h ALA 64 N 0.89 -1.24 -1.05 -1.18 0.00 -1.26 0.23 119.26 115.65 2wrn h ALA 64 Ca 0.24 -0.22 0.30 0.00 0.00 0.00 0.00 54.91 55.23 2wrn h ALA 64 Cb 0.44 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 2wrn h ALA 64 CO -0.44 -1.19 0.63 0.00 0.00 0.00 0.00 179.25 178.25 2wrn h ALA 65 N -1.33 2.05 0.77 0.00 0.00 -0.58 2.22 119.26 122.40 2wrn h ALA 65 Ca -0.10 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2wrn h ALA 65 Cb 0.84 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.73 2wrn h ALA 65 CO 0.11 -0.59 -0.37 -0.07 0.00 0.00 0.00 179.25 178.33 2wrn h LEU 66 N 0.38 -0.87 -2.80 0.00 3.38 -0.83 0.70 115.31 115.26 2wrn h LEU 66 Ca 0.69 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.69 2wrn h LEU 66 Cb 1.62 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 2wrn h LEU 66 CO -0.49 -0.56 -0.00 -0.78 0.09 0.00 0.00 178.44 176.69 2wrn h ASP 67 N -1.16 0.00 1.07 -0.43 1.82 0.17 1.06 116.42 118.96 2wrn h ASP 67 Ca -0.11 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.35 2wrn h ASP 67 Cb 0.79 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.77 2wrn h ASP 67 CO 0.17 0.00 -0.96 0.00 -1.61 0.00 0.00 179.24 176.85 2wrn h ALA 68 N 2.00 0.52 -1.73 -0.78 0.00 0.40 -2.55 119.26 117.12 2wrn h ALA 68 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2wrn h ALA 68 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wrn h ALA 68 CO 0.00 1.06 0.00 0.00 0.00 0.00 0.00 179.25 180.31 2wrn n ALA 69 N -2.34 -0.15 -0.30 0.00 0.00 0.34 -1.29 120.51 116.78 2wrn n ALA 69 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 2wrn n ALA 69 Cb 0.88 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.32 2wrn n ALA 69 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wrn h LYS 70 N 0.00 -0.10 -0.90 0.00 3.64 -1.00 1.01 116.57 119.23 2wrn h LYS 70 Ca 0.00 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.58 2wrn h LYS 70 Cb 0.00 0.02 -0.17 0.00 -0.41 0.00 0.00 32.23 31.67 2wrn h LYS 70 CO 0.00 -0.06 -0.17 0.87 -2.27 0.00 0.00 179.45 177.81 2wrn h LYS 71 N -0.10 0.01 0.41 1.90 1.57 -1.53 0.77 116.57 119.60 2wrn h LYS 71 Ca 0.25 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2wrn h LYS 71 Cb 0.55 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2wrn h LYS 71 CO -0.84 0.01 -0.20 0.00 -0.57 0.00 0.00 179.45 177.85 2wrn h ALA 72 N 1.90 -0.56 -2.24 3.86 0.00 0.15 -3.16 119.26 119.21 2wrn h ALA 72 Ca 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2wrn h ALA 72 Cb 0.74 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2wrn h ALA 72 CO -0.91 -0.63 0.00 -1.33 0.00 0.00 0.00 179.25 176.39 2wrn n MET 73 N -5.19 0.00 0.21 0.00 2.81 0.29 -0.21 117.12 115.03 2wrn n MET 73 Ca -0.10 0.36 0.17 0.00 -1.81 0.00 0.00 57.70 56.32 2wrn n MET 73 Cb 0.29 -0.73 0.70 0.00 -0.71 0.00 0.00 33.22 32.78 2wrn n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wrn h ALA 74 N -1.53 1.79 0.00 3.04 0.00 -1.58 0.64 119.26 121.63 2wrn h ALA 74 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2wrn h ALA 74 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wrn h ALA 74 CO 0.00 -0.59 -0.18 1.88 0.00 0.00 0.00 179.25 180.35 2wrn h TYR 75 N 0.00 0.00 0.00 0.00 -1.99 -0.55 -3.45 116.97 110.97 2wrn h TYR 75 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2wrn h TYR 75 Cb 1.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.80 2wrn h TYR 75 CO 0.00 0.18 0.00 0.41 -0.00 0.00 0.00 178.16 178.75 2wrn n GLY 76 N -0.98 0.49 3.48 3.88 0.00 0.21 -4.65 105.19 107.63 2wrn n GLY 76 Ca -0.02 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 2wrn n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wrn s MET 77 N 0.00 1.68 0.39 1.61 0.00 -0.53 -1.28 119.30 121.18 2wrn s MET 77 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 55.69 53.79 2wrn s MET 77 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 34.83 33.60 2wrn s MET 77 CO 0.00 -0.03 0.00 1.04 0.00 0.00 0.00 175.02 176.03 2wrn n GLN 78 N -0.70 0.00 -4.21 4.11 1.13 0.16 -4.78 117.38 113.09 2wrn n GLN 78 Ca -0.04 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.67 2wrn n GLN 78 Cb 0.65 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.91 2wrn n GLN 78 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2wrn s SER 79 N -2.58 5.47 -0.06 1.08 0.15 -0.26 -2.14 113.70 115.35 2wrn s SER 79 Ca 0.00 0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.85 2wrn s SER 79 Cb 0.00 -1.72 -0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2wrn s SER 79 CO 0.00 0.31 -0.21 0.68 1.20 0.00 0.00 173.24 175.22 2wrn s VAL 80 N -0.49 1.78 -0.61 4.45 -7.23 0.18 -0.38 120.40 118.11 2wrn s VAL 80 Ca 0.09 -0.89 -0.13 0.00 -1.81 0.00 0.00 61.98 59.24 2wrn s VAL 80 Cb -0.12 -1.53 0.15 0.00 0.56 0.00 0.00 36.38 35.45 2wrn s VAL 80 CO 0.02 0.50 0.53 -0.62 -0.31 0.00 0.00 175.10 175.22 2wrn s ASP 81 N 0.09 6.14 0.46 4.85 2.15 -1.21 -0.02 116.67 129.14 2wrn s ASP 81 Ca -0.08 -2.15 -0.16 0.00 0.43 0.00 0.00 52.55 50.59 2wrn s ASP 81 Cb -0.14 -2.13 -0.08 0.00 -0.30 0.00 0.00 42.92 40.27 2wrn s ASP 81 CO 0.04 -0.70 0.91 0.54 -0.17 0.00 0.00 175.17 175.80 2wrn s VAL 82 N 1.01 4.58 -0.24 1.11 0.11 -1.05 -2.19 120.40 123.74 2wrn s VAL 82 Ca 0.09 1.10 -0.06 0.00 -2.93 0.00 0.00 61.98 60.18 2wrn s VAL 82 Cb -0.23 -3.70 0.12 0.00 -1.53 0.00 0.00 36.38 31.04 2wrn s VAL 82 CO -0.02 -0.56 0.47 -0.63 -3.33 0.00 0.00 175.10 171.03 2wrn s ILE 83 N -2.46 -0.74 0.19 7.04 1.01 -0.64 -2.63 121.20 122.98 2wrn s ILE 83 Ca 0.57 0.07 0.06 0.00 0.00 0.00 0.00 60.65 61.35 2wrn s ILE 83 Cb -0.10 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2wrn s ILE 83 CO 0.28 0.01 0.16 0.68 0.00 0.00 0.00 174.94 176.07 2wrn s VAL 84 N 2.68 4.51 -0.08 2.92 -7.23 -0.12 -0.38 120.40 122.71 2wrn s VAL 84 Ca 0.03 -1.17 -0.03 0.00 -1.81 0.00 0.00 61.98 58.99 2wrn s VAL 84 Cb -0.13 -3.35 0.04 0.00 0.56 0.00 0.00 36.38 33.50 2wrn s VAL 84 CO -0.15 -0.19 0.15 -0.13 -0.31 0.00 0.00 175.10 174.46 2wrn s ARG 85 N -3.36 0.02 0.00 4.82 0.52 0.89 -2.24 118.95 119.60 2wrn s ARG 85 Ca 0.32 0.53 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 2wrn s ARG 85 Cb -0.09 -0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.07 2wrn s ARG 85 CO 0.24 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.66 2wrn n GLY 86 N 5.30 -1.72 0.00 -3.53 0.00 -1.26 -2.88 105.19 101.11 2wrn n GLY 86 Ca -0.05 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2wrn n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wrn n THR 87 N 0.00 0.00 0.00 2.61 -1.04 -1.25 -4.93 114.28 109.67 2wrn n THR 87 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wrn n THR 87 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2wrn n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wrn n GLY 88 N 5.00 -0.51 0.01 3.41 0.00 -1.25 -4.50 105.19 107.36 2wrn n GLY 88 Ca 0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.28 2wrn n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrn n ALA 89 N -0.48 0.10 0.18 4.61 0.00 -1.26 -4.26 120.51 119.39 2wrn n ALA 89 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.21 2wrn n ALA 89 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.76 2wrn n ALA 89 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wrn h GLY 90 N -0.12 0.00 -0.67 0.00 0.00 -1.80 -1.25 103.07 99.24 2wrn h GLY 90 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.53 2wrn h GLY 90 CO 0.00 0.00 -0.09 -0.09 0.00 0.00 0.00 176.54 176.36 2wrn h ARG 91 N 0.00 0.03 -0.03 4.80 1.12 -1.79 3.44 114.38 121.95 2wrn h ARG 91 Ca 0.00 -0.00 -0.25 0.00 -1.11 0.00 0.00 59.98 58.62 2wrn h ARG 91 Cb 0.81 -0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.78 2wrn h ARG 91 CO 0.00 0.02 -0.96 1.49 -3.11 0.00 0.00 179.97 177.41 2wrn h GLU 92 N 0.04 0.64 -0.58 0.20 4.57 -1.50 -3.23 114.58 114.72 2wrn h GLU 92 Ca 0.46 -0.65 0.06 0.00 -1.18 0.00 0.00 59.36 58.05 2wrn h GLU 92 Cb 0.80 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 29.51 2wrn h GLU 92 CO -0.83 1.25 0.29 1.96 -1.18 0.00 0.00 179.01 180.50 2wrn h GLN 93 N 0.38 0.52 0.00 1.92 1.08 0.15 -2.98 115.11 116.17 2wrn h GLN 93 Ca -0.10 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2wrn h GLN 93 Cb 1.60 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.92 2wrn h GLN 93 CO 0.18 0.34 0.00 0.00 -0.95 0.00 0.00 178.83 178.41 2wrn n ALA 94 N -2.37 0.00 -0.86 3.87 0.00 1.04 -0.10 120.51 122.09 2wrn n ALA 94 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2wrn n ALA 94 Cb 0.18 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2wrn n ALA 94 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wrn n ILE 95 N -2.68 0.00 -0.32 0.00 5.41 -1.13 0.01 119.36 120.64 2wrn n ILE 95 Ca 0.00 0.88 0.28 0.00 1.00 0.00 0.00 62.75 64.91 2wrn n ILE 95 Cb 0.00 -1.31 0.48 0.00 -0.71 0.00 0.00 39.64 38.10 2wrn n ILE 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wrn n ARG 96 N -0.96 -0.03 -0.10 0.38 1.74 -0.89 0.34 116.66 117.13 2wrn n ARG 96 Ca 0.00 0.95 -0.13 0.00 -0.77 0.00 0.00 57.85 57.90 2wrn n ARG 96 Cb 0.00 -1.82 -0.04 0.00 -1.02 0.00 0.00 32.46 29.58 2wrn n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wrn h ALA 97 N 1.24 0.45 -0.43 7.54 0.00 0.31 -2.77 119.26 125.60 2wrn h ALA 97 Ca 0.64 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2wrn h ALA 97 Cb 1.99 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 2wrn h ALA 97 CO -0.40 0.44 0.28 -0.07 0.00 0.00 0.00 179.25 179.51 2wrn h LEU 98 N 0.48 0.50 0.00 0.00 3.38 0.75 -3.11 115.31 117.31 2wrn h LEU 98 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wrn h LEU 98 Cb 0.82 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2wrn h LEU 98 CO 0.07 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.97 2wrn n GLN 99 N -4.46 0.00 -0.26 1.13 6.02 -0.78 -3.51 117.38 115.51 2wrn n GLN 99 Ca 0.03 0.34 -0.03 0.00 -0.01 0.00 0.00 57.00 57.34 2wrn n GLN 99 Cb 0.06 -1.18 -0.04 0.00 1.02 0.00 0.00 30.24 30.11 2wrn n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wrn n ALA 100 N -1.51 2.53 0.00 -1.58 0.00 -1.06 -2.91 120.51 115.98 2wrn n ALA 100 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2wrn n ALA 100 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.35 2wrn n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wrn n SER 101 N 2.56 0.51 -0.03 0.00 3.41 -1.18 -4.97 113.62 113.92 2wrn n SER 101 Ca 0.09 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2wrn n SER 101 Cb 0.24 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 2wrn n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrn n GLY 102 N 0.99 1.47 3.49 5.00 0.00 -1.15 -4.92 105.19 110.08 2wrn n GLY 102 Ca 0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 2wrn n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrn s LEU 103 N -0.06 2.62 -0.42 0.99 2.01 -1.24 -5.01 118.68 117.57 2wrn s LEU 103 Ca 0.00 -1.17 -0.12 0.00 0.01 0.00 0.00 54.13 52.85 2wrn s LEU 103 Cb 0.00 -0.87 0.06 0.00 0.01 0.00 0.00 46.19 45.39 2wrn s LEU 103 CO 0.00 -0.22 0.29 -1.58 1.01 0.00 0.00 176.35 175.85 2wrn s GLN 104 N -3.64 2.79 -0.79 1.70 -0.44 -0.91 -4.85 119.66 113.52 2wrn s GLN 104 Ca 0.31 -1.32 -0.26 0.00 -2.50 0.00 0.00 55.36 51.59 2wrn s GLN 104 Cb 0.02 -3.89 0.04 0.00 -1.64 0.00 0.00 33.01 27.54 2wrn s GLN 104 CO 0.14 -0.91 1.28 0.14 0.50 0.00 0.00 175.29 176.45 2wrn s VAL 105 N 1.53 3.83 0.22 1.34 -7.23 -1.26 0.51 120.40 119.34 2wrn s VAL 105 Ca 0.03 0.09 -0.06 0.00 -1.81 0.00 0.00 61.98 60.23 2wrn s VAL 105 Cb -0.22 -4.93 0.09 0.00 0.56 0.00 0.00 36.38 31.88 2wrn s VAL 105 CO 0.05 -1.84 1.70 0.50 -0.31 0.00 0.00 175.10 175.21 2wrn h LYS 106 N 9.93 0.95 -1.12 4.82 3.64 -0.82 -3.48 116.57 130.50 2wrn h LYS 106 Ca -0.18 -0.28 0.33 0.00 -1.27 0.00 0.00 60.65 59.25 2wrn h LYS 106 Cb 1.04 -0.10 -0.19 0.00 -0.41 0.00 0.00 32.23 32.57 2wrn h LYS 106 CO 1.30 0.93 0.95 -1.54 -2.27 0.00 0.00 179.45 178.82 2wrn s SER 107 N -6.60 -0.03 -0.18 4.20 1.04 -1.25 -5.03 113.70 105.85 2wrn s SER 107 Ca -0.11 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 2wrn s SER 107 Cb 0.14 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.31 2wrn s SER 107 CO 0.84 -0.06 -0.16 -0.63 0.98 0.00 0.00 173.24 174.21 2wrn s ILE 108 N -2.11 2.45 0.03 -1.02 1.09 -1.26 -2.51 121.20 117.87 2wrn s ILE 108 Ca 0.12 -0.81 0.09 0.00 -1.10 0.00 0.00 60.65 58.94 2wrn s ILE 108 Cb 0.01 -2.05 -0.03 0.00 -1.06 0.00 0.00 42.46 39.33 2wrn s ILE 108 CO -0.03 0.51 -0.26 -0.69 -0.10 0.00 0.00 174.94 174.37 2wrn s VAL 109 N 1.23 2.06 -0.93 2.92 1.01 -1.08 -5.01 120.40 120.60 2wrn s VAL 109 Ca 0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 2wrn s VAL 109 Cb -0.14 -1.75 0.26 0.00 0.00 0.00 0.00 36.38 34.75 2wrn s VAL 109 CO -0.08 0.41 1.01 -0.67 0.00 0.00 0.00 175.10 175.77 2wrn n ASP 110 N 1.96 4.90 -2.97 3.32 2.03 -1.26 -0.95 116.55 123.58 2wrn n ASP 110 Ca -0.17 -3.25 -0.32 0.00 0.52 0.00 0.00 54.79 51.56 2wrn n ASP 110 Cb 0.52 -1.08 -0.04 0.00 -0.72 0.00 0.00 41.12 39.79 2wrn n ASP 110 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2wrn n ASP 111 N 1.81 7.33 -4.55 1.67 4.64 -0.95 -4.90 116.55 121.59 2wrn n ASP 111 Ca 0.25 -3.01 -0.41 0.00 -1.38 0.00 0.00 54.79 50.23 2wrn n ASP 111 Cb 0.37 -1.35 -0.03 0.00 -1.04 0.00 0.00 41.12 39.07 2wrn n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 2wrn s THR 112 N -0.82 3.84 0.20 5.18 2.01 -1.25 -4.69 115.64 120.11 2wrn s THR 112 Ca 0.59 0.50 -0.32 0.00 0.31 0.00 0.00 61.69 62.78 2wrn s THR 112 Cb 0.26 -4.85 -0.12 0.00 0.01 0.00 0.00 72.50 67.80 2wrn s THR 112 CO -0.12 -1.69 1.73 -2.16 -0.69 0.00 0.00 174.62 171.69 2wrn s PRO 113 N 5.43 4.12 0.01 4.92 0.04 -1.26 -4.91 135.00 143.35 2wrn s PRO 113 Ca 0.36 2.62 0.01 0.00 0.04 0.00 0.00 61.00 64.03 2wrn s PRO 113 Cb -0.08 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 2wrn s PRO 113 CO 0.18 -0.76 -0.03 0.54 0.04 0.00 0.00 177.00 176.96 2wrn s VAL 114 N 1.28 0.23 0.32 -0.36 0.11 -1.26 -5.02 120.40 115.70 2wrn s VAL 114 Ca 0.75 -0.50 -0.06 0.00 -2.93 0.00 0.00 61.98 59.25 2wrn s VAL 114 Cb -0.50 -0.27 -0.05 0.00 -1.53 0.00 0.00 36.38 34.03 2wrn s VAL 114 CO 0.32 -0.18 0.61 -2.16 -3.33 0.00 0.00 175.10 170.37 2wrn s PRO 115 N -0.71 3.66 -0.49 1.54 0.04 -1.26 -4.96 135.00 132.82 2wrn s PRO 115 Ca -0.06 0.11 -0.04 0.00 0.04 0.00 0.00 61.00 61.06 2wrn s PRO 115 Cb -0.05 -2.58 0.07 0.00 0.04 0.00 0.00 34.50 31.98 2wrn s PRO 115 CO -0.00 0.14 2.75 0.72 0.04 0.00 0.00 177.00 180.65 2wrn n HIS 116 N -1.09 1.64 -2.00 0.56 8.25 -1.26 -4.69 115.22 116.64 2wrn n HIS 116 Ca -0.01 -1.97 -0.01 0.00 -0.26 0.00 0.00 57.72 55.47 2wrn n HIS 116 Cb 0.54 -1.39 -0.01 0.00 1.12 0.00 0.00 29.99 30.25 2wrn n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wrn n ASN 117 N 0.89 -3.04 0.00 0.41 5.03 -1.26 -5.08 115.26 112.20 2wrn n ASN 117 Ca 0.49 0.60 0.00 0.00 0.87 0.00 0.00 54.58 56.55 2wrn n ASN 117 Cb 0.54 -2.86 0.00 0.00 -1.02 0.00 0.00 39.78 36.44 2wrn n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wrn n GLY 118 N 0.50 -0.26 3.14 7.41 0.00 -1.26 -5.07 105.19 109.65 2wrn n GLY 118 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2wrn n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrn n ARG 120 N 2.39 1.41 -3.43 0.00 1.85 -1.26 -4.97 116.66 112.64 2wrn n ARG 120 Ca -0.16 0.51 -0.20 0.00 -1.00 0.00 0.00 57.85 57.00 2wrn n ARG 120 Cb 0.55 -2.11 -0.02 0.00 -1.05 0.00 0.00 32.46 29.83 2wrn n ARG 120 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2wrn s PRO 121 N -2.11 2.69 0.69 2.89 0.04 -1.26 -5.08 135.00 132.86 2wrn s PRO 121 Ca 0.64 -1.38 -0.17 0.00 0.04 0.00 0.00 61.00 60.13 2wrn s PRO 121 Cb -0.54 -2.54 -0.10 0.00 0.04 0.00 0.00 34.50 31.37 2wrn s PRO 121 CO 0.56 -0.15 0.08 1.63 0.04 0.00 0.00 177.00 179.16 2wrn n LYS 122 N -1.62 0.16 -0.30 4.56 5.02 -1.26 -4.25 118.16 120.47 2wrn n LYS 122 Ca 0.04 0.07 0.14 0.00 -2.02 0.00 0.00 58.31 56.54 2wrn n LYS 122 Cb 0.60 -1.40 0.31 0.00 -0.02 0.00 0.00 35.03 34.52 2wrn n LYS 122 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wrn h LYS 123 N -0.32 0.24 -0.51 1.97 3.64 -1.98 0.39 116.57 120.00 2wrn h LYS 123 Ca -0.44 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.03 2wrn h LYS 123 Cb 1.38 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 33.04 2wrn h LYS 123 CO 0.39 0.16 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.34 2wrn h LYS 124 N 0.24 -0.04 0.00 1.90 3.64 -2.03 -0.75 116.57 119.54 2wrn h LYS 124 Ca 0.57 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 2wrn h LYS 124 Cb 1.15 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2wrn h LYS 124 CO -0.63 -0.03 -0.73 1.19 -2.27 0.00 0.00 179.45 176.98 2wrn n PHE 125 N -5.39 0.24 0.50 1.91 3.01 -0.80 -3.45 117.46 113.48 2wrn n PHE 125 Ca 0.05 0.07 0.04 0.00 1.01 0.00 0.00 57.45 58.62 2wrn n PHE 125 Cb 0.29 -0.41 0.24 0.00 -0.01 0.00 0.00 39.48 39.59 2wrn n PHE 125 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2wrn n ARG 126 N -1.82 0.22 -0.06 -1.08 0.63 0.13 -2.11 116.66 112.58 2wrn n ARG 126 Ca 0.04 0.06 0.24 0.00 -0.92 0.00 0.00 57.85 57.28 2wrn n ARG 126 Cb 0.40 -1.50 0.72 0.00 0.45 0.00 0.00 32.46 32.53 2wrn n ARG 126 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2wrn h LYS 127 N 0.00 0.00 -2.24 -0.14 1.79 -1.54 -0.75 116.57 113.68 2wrn h LYS 127 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 2wrn h LYS 127 Cb 0.02 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.62 2wrn h LYS 127 CO 0.00 0.00 -0.17 0.00 -1.08 0.00 0.00 179.45 178.20 2wrn n ALA 128 N -2.57 5.05 0.00 3.86 0.00 -0.90 -5.18 120.51 120.77 2wrn n ALA 128 Ca 0.13 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.21 2wrn n ALA 128 Cb 0.80 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2wrn n ALA 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95