#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9t n ARG 12 N 0.00 0.34 -3.64 1.97 0.63 -1.26 -5.02 116.66 109.68 2x9t n ARG 12 Ca 0.00 0.16 -0.19 0.00 -0.92 0.00 0.00 57.85 56.90 2x9t n ARG 12 Cb 0.00 -2.02 -0.16 0.00 0.45 0.00 0.00 32.46 30.73 2x9t n ARG 12 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2x9t s GLN 13 N -3.11 0.03 -0.10 -0.14 -0.21 -1.26 -5.03 119.66 109.84 2x9t s GLN 13 Ca 0.68 0.39 -0.01 0.00 0.02 0.00 0.00 55.36 56.44 2x9t s GLN 13 Cb -0.34 -0.65 -0.03 0.00 1.00 0.00 0.00 33.01 32.99 2x9t s GLN 13 CO 0.55 -0.40 -0.03 0.14 -2.12 0.00 0.00 175.29 173.43 2x9t s VAL 14 N 2.25 4.01 -0.54 1.09 -7.23 -1.25 -4.99 120.40 113.73 2x9t s VAL 14 Ca 0.04 -0.35 0.24 0.00 -1.81 0.00 0.00 61.98 60.10 2x9t s VAL 14 Cb -0.13 -2.69 0.18 0.00 0.56 0.00 0.00 36.38 34.30 2x9t s VAL 14 CO -0.06 0.58 1.47 0.00 -0.31 0.00 0.00 175.10 176.77 2x9t h ALA 15 N 5.55 0.79 -3.74 1.32 0.00 -1.85 -3.35 119.26 117.97 2x9t h ALA 15 Ca -0.46 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.78 2x9t h ALA 15 Cb 1.18 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 2x9t h ALA 15 CO 0.56 0.00 -0.82 0.45 0.00 0.00 0.00 179.25 179.44 2x9t s SER 16 N -5.00 3.72 0.00 0.00 0.15 -1.26 -1.35 113.70 109.95 2x9t s SER 16 Ca 0.06 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.09 2x9t s SER 16 Cb 0.10 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2x9t s SER 16 CO 0.69 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.91 2x9t n GLY 17 N 0.79 1.35 3.21 9.45 0.00 -0.98 -3.99 105.19 115.01 2x9t n GLY 17 Ca -0.16 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 2x9t n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x9t s ARG 18 N 1.86 1.02 -0.04 1.61 0.52 -1.21 -3.17 118.95 119.54 2x9t s ARG 18 Ca 0.00 -1.48 -0.01 0.00 -0.52 0.00 0.00 55.73 53.71 2x9t s ARG 18 Cb 0.00 -0.11 0.03 0.00 0.52 0.00 0.00 34.95 35.39 2x9t s ARG 18 CO 0.00 -0.15 0.04 0.00 0.02 0.00 0.00 175.30 175.21 2x9t s ALA 19 N -3.77 0.25 -0.15 2.13 0.00 -0.35 -0.18 121.76 119.69 2x9t s ALA 19 Ca 0.22 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.30 2x9t s ALA 19 Cb 0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2x9t s ALA 19 CO 0.02 -0.38 0.07 0.71 0.00 0.00 0.00 175.76 176.18 2x9t s TYR 20 N 1.86 3.32 -0.21 0.00 1.51 0.14 -1.13 117.35 122.84 2x9t s TYR 20 Ca 0.01 0.21 -0.05 0.00 -1.01 0.00 0.00 57.07 56.23 2x9t s TYR 20 Cb -0.12 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 2x9t s TYR 20 CO -0.03 0.34 -0.02 0.42 -1.11 0.00 0.00 175.55 175.15 2x9t s ILE 21 N -0.13 3.72 -0.35 2.71 1.09 -0.33 -0.55 121.20 127.36 2x9t s ILE 21 Ca 0.08 -0.39 0.01 0.00 -1.10 0.00 0.00 60.65 59.25 2x9t s ILE 21 Cb -0.12 -2.69 0.10 0.00 -1.06 0.00 0.00 42.46 38.69 2x9t s ILE 21 CO 0.01 0.42 0.08 -2.28 -0.10 0.00 0.00 174.94 173.07 2x9t s HIS 22 N 1.19 3.64 -0.43 3.97 2.46 0.28 -0.29 115.29 126.11 2x9t s HIS 22 Ca 0.03 -2.69 -0.08 0.00 0.47 0.00 0.00 55.06 52.79 2x9t s HIS 22 Cb -0.15 -2.88 0.10 0.00 -0.13 0.00 0.00 32.58 29.52 2x9t s HIS 22 CO 0.00 -0.94 0.27 0.00 -2.47 0.00 0.00 174.74 171.60 2x9t s ALA 23 N 1.01 3.29 -0.17 1.58 0.00 -0.54 0.20 121.76 127.13 2x9t s ALA 23 Ca 0.07 -2.32 -0.02 0.00 0.00 0.00 0.00 51.96 49.69 2x9t s ALA 23 Cb -0.20 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 2x9t s ALA 23 CO -0.06 -1.74 -0.08 -1.54 0.00 0.00 0.00 175.76 172.34 2x9t s SER 24 N 2.23 4.27 0.00 0.00 1.04 0.23 -0.31 113.70 121.16 2x9t s SER 24 Ca 0.04 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2x9t s SER 24 Cb -0.24 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.18 2x9t s SER 24 CO 0.00 0.08 0.00 -1.22 0.98 0.00 0.00 173.24 173.08 2x9t n TYR 25 N 4.09 0.00 0.04 5.02 4.02 -1.20 0.24 117.16 129.37 2x9t n TYR 25 Ca -0.18 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.76 2x9t n TYR 25 Cb 0.52 -0.39 -0.08 0.00 -0.02 0.00 0.00 39.34 39.37 2x9t n TYR 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2x9t n ASN 26 N -2.51 0.65 -3.93 7.72 2.85 -1.26 -4.57 115.26 114.21 2x9t n ASN 26 Ca 0.00 0.27 -0.08 0.00 -0.11 0.00 0.00 54.58 54.66 2x9t n ASN 26 Cb 0.00 0.62 -0.04 0.00 1.24 0.00 0.00 39.78 41.60 2x9t n ASN 26 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2x9t s ASN 27 N -5.42 -0.17 -0.02 1.20 2.47 0.67 -0.08 114.94 113.59 2x9t s ASN 27 Ca -0.04 -0.78 0.01 0.00 0.42 0.00 0.00 52.86 52.48 2x9t s ASN 27 Cb 0.10 0.64 0.01 0.00 -1.45 0.00 0.00 41.25 40.55 2x9t s ASN 27 CO 0.82 -1.22 -0.04 -0.89 -3.72 0.00 0.00 177.10 172.05 2x9t s THR 28 N -3.97 0.43 -0.03 -5.21 2.01 -1.24 0.77 115.64 108.40 2x9t s THR 28 Ca 0.17 -0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 2x9t s THR 28 Cb -0.03 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.08 2x9t s THR 28 CO 0.08 0.17 0.02 -0.51 -0.69 0.00 0.00 174.62 173.68 2x9t s ILE 29 N 0.50 0.07 -0.09 1.82 2.07 0.54 -2.01 121.20 124.11 2x9t s ILE 29 Ca -0.06 0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 2x9t s ILE 29 Cb -0.09 -0.22 -0.02 0.00 0.13 0.00 0.00 42.46 42.26 2x9t s ILE 29 CO -0.00 0.14 -0.16 0.68 -1.91 0.00 0.00 174.94 173.69 2x9t s VAL 30 N 1.31 2.87 -0.10 4.00 -7.23 0.09 0.99 120.40 122.32 2x9t s VAL 30 Ca -0.06 -0.75 -0.00 0.00 -1.81 0.00 0.00 61.98 59.36 2x9t s VAL 30 Cb -0.13 -2.16 0.02 0.00 0.56 0.00 0.00 36.38 34.68 2x9t s VAL 30 CO -0.03 0.55 -0.08 0.28 -0.31 0.00 0.00 175.10 175.52 2x9t s THR 31 N -0.08 0.98 -0.29 5.32 -1.32 0.28 -1.22 115.64 119.32 2x9t s THR 31 Ca -0.03 -0.28 -0.20 0.00 -1.21 0.00 0.00 61.69 59.97 2x9t s THR 31 Cb -0.14 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.84 2x9t s THR 31 CO 0.04 0.36 0.62 -0.63 -2.21 0.00 0.00 174.62 172.79 2x9t s ILE 32 N 1.58 4.96 0.00 5.08 1.01 0.46 -0.68 121.20 133.61 2x9t s ILE 32 Ca 0.02 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.56 2x9t s ILE 32 Cb -0.13 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2x9t s ILE 32 CO -0.06 -0.10 0.00 0.35 0.00 0.00 0.00 174.94 175.13 2x9t n THR 33 N 5.34 0.00 -3.79 2.92 -2.24 0.74 -0.88 114.28 116.37 2x9t n THR 33 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2x9t n THR 33 Cb 0.49 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 2x9t n THR 33 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2x9t n ASP 34 N -0.34 1.61 0.00 3.42 3.85 -0.87 -3.36 116.55 120.87 2x9t n ASP 34 Ca 0.00 -0.99 0.00 0.00 -0.71 0.00 0.00 54.79 53.09 2x9t n ASP 34 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2x9t n ASP 34 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 2x9t n PRO 35 N -0.19 0.00 -2.01 0.11 -0.02 -1.26 -2.62 135.00 129.02 2x9t n PRO 35 Ca 0.00 0.46 -0.14 0.00 -2.02 0.00 0.00 63.50 61.80 2x9t n PRO 35 Cb 0.00 -1.52 0.05 0.00 -0.02 0.00 0.00 33.50 32.01 2x9t n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2x9t n ASP 36 N -1.46 3.67 0.00 2.55 10.43 -1.26 -4.97 116.55 125.52 2x9t n ASP 36 Ca 0.00 -3.33 0.00 0.00 2.57 0.00 0.00 54.79 54.03 2x9t n ASP 36 Cb 0.02 -0.39 0.00 0.00 1.84 0.00 0.00 41.12 42.59 2x9t n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2x9t n GLY 37 N -0.69 0.92 3.58 0.44 0.00 -1.08 -4.89 105.19 103.48 2x9t n GLY 37 Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 2x9t n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x9t n ASN 38 N 0.04 3.03 -4.55 1.61 3.02 -1.26 -4.55 115.26 112.60 2x9t n ASN 38 Ca 0.00 0.13 -0.52 0.00 -0.03 0.00 0.00 54.58 54.16 2x9t n ASN 38 Cb 0.00 -1.53 -0.06 0.00 -0.61 0.00 0.00 39.78 37.58 2x9t n ASN 38 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2x9t n PRO 39 N 8.75 0.76 -0.10 3.52 -0.02 -1.26 -2.04 135.00 144.60 2x9t n PRO 39 Ca 0.32 0.27 -0.17 0.00 -2.02 0.00 0.00 63.50 61.90 2x9t n PRO 39 Cb 0.44 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 32.06 2x9t n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2x9t n ILE 40 N 1.71 1.09 -3.55 4.25 2.08 -0.06 -4.87 119.36 120.01 2x9t n ILE 40 Ca 0.18 -0.35 -0.08 0.00 0.56 0.00 0.00 62.75 63.06 2x9t n ILE 40 Cb 0.18 -1.46 -0.03 0.00 -0.75 0.00 0.00 39.64 37.59 2x9t n ILE 40 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2x9t s THR 41 N -2.37 0.00 0.23 1.39 -1.32 -0.93 -5.04 115.64 107.60 2x9t s THR 41 Ca -0.27 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.15 2x9t s THR 41 Cb 0.09 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 2x9t s THR 41 CO 0.39 0.00 0.29 -1.66 -2.21 0.00 0.00 174.62 171.44 2x9t s TRP 42 N -2.33 0.83 -0.05 9.09 1.48 -1.26 -0.40 118.94 126.30 2x9t s TRP 42 Ca 0.04 -1.10 -0.30 0.00 -1.06 0.00 0.00 56.10 53.68 2x9t s TRP 42 Cb -0.01 -0.22 0.11 0.00 -1.16 0.00 0.00 33.47 32.19 2x9t s TRP 42 CO -0.05 -0.81 0.95 0.45 -4.06 0.00 0.00 176.95 173.43 2x9t s SER 43 N -3.11 -0.33 0.36 -2.66 0.15 -0.36 -4.81 113.70 102.95 2x9t s SER 43 Ca 0.32 0.03 -0.07 0.00 0.70 0.00 0.00 55.95 56.93 2x9t s SER 43 Cb 0.03 0.34 0.03 0.00 -1.71 0.00 0.00 66.02 64.71 2x9t s SER 43 CO 0.11 -0.53 0.60 -1.54 1.20 0.00 0.00 173.24 173.08 2x9t n SER 44 N -0.14 -1.72 -0.28 5.45 3.41 -1.26 -0.73 113.62 118.35 2x9t n SER 44 Ca -0.07 -2.73 0.06 0.00 -0.26 0.00 0.00 58.87 55.87 2x9t n SER 44 Cb 0.61 3.01 0.29 0.00 -0.26 0.00 0.00 64.21 67.86 2x9t n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2x9t h GLY 45 N 1.93 1.27 1.31 5.00 0.00 -1.66 -2.00 103.07 108.92 2x9t h GLY 45 Ca -0.29 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 2x9t h GLY 45 CO 0.38 0.23 -0.04 -1.33 0.00 0.00 0.00 176.54 175.78 2x9t h GLY 46 N 0.91 0.90 0.93 4.60 0.00 -1.86 -2.78 103.07 105.76 2x9t h GLY 46 Ca 0.40 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2x9t h GLY 46 CO -0.16 0.59 0.13 -2.08 0.00 0.00 0.00 176.54 175.02 2x9t h VAL 47 N 0.76 1.19 -1.06 4.60 2.07 -1.66 -2.75 116.25 119.41 2x9t h VAL 47 Ca 0.14 -0.59 0.28 0.00 0.82 0.00 0.00 66.70 67.34 2x9t h VAL 47 Cb 0.52 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 2x9t h VAL 47 CO 0.03 0.21 0.69 0.40 0.02 0.00 0.00 177.57 178.92 2x9t h ILE 48 N 0.42 0.50 0.00 4.57 1.08 -1.28 -3.45 117.51 119.35 2x9t h ILE 48 Ca 0.12 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2x9t h ILE 48 Cb 0.20 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 2x9t h ILE 48 CO -0.01 0.06 0.00 0.61 -0.69 0.00 0.00 178.15 178.12 2x9t n GLY 49 N -1.50 1.15 3.67 5.37 0.00 -1.04 -5.11 105.19 107.73 2x9t n GLY 49 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2x9t n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x9t s TYR 50 N -0.86 3.43 -0.08 1.61 4.12 -1.07 -5.01 117.35 119.50 2x9t s TYR 50 Ca 0.00 1.40 0.02 0.00 0.02 0.00 0.00 57.07 58.51 2x9t s TYR 50 Cb 0.00 -3.11 0.01 0.00 -1.52 0.00 0.00 41.96 37.34 2x9t s TYR 50 CO 0.00 -0.28 -0.15 0.21 0.02 0.00 0.00 175.55 175.35 2x9t s LYS 51 N 2.30 2.08 0.00 -0.62 2.20 -1.26 -3.51 119.74 120.92 2x9t s LYS 51 Ca 0.42 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 2x9t s LYS 51 Cb -0.17 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 2x9t s LYS 51 CO 0.13 0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 2x9t n GLY 52 N 3.89 0.14 0.11 5.54 0.00 -1.26 -4.60 105.19 109.00 2x9t n GLY 52 Ca -0.21 -1.58 0.02 0.00 0.00 0.00 0.00 46.02 44.26 2x9t n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2x9t h SER 53 N 0.00 0.00 0.00 1.61 4.64 -1.96 -3.36 113.55 114.48 2x9t h SER 53 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2x9t h SER 53 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2x9t h SER 53 CO 0.00 0.47 -0.02 0.54 -0.87 0.00 0.00 176.83 176.95 2x9t n ARG 54 N -2.94 0.86 0.00 4.77 1.74 -1.26 -2.46 116.66 117.37 2x9t n ARG 54 Ca -0.06 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 2x9t n ARG 54 Cb 0.77 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 2x9t n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2x9t n LYS 55 N 2.08 2.62 0.00 5.56 5.02 -1.26 -4.56 118.16 127.62 2x9t n LYS 55 Ca 0.10 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.54 2x9t n LYS 55 Cb 0.41 -0.90 0.70 0.00 -0.02 0.00 0.00 35.03 35.22 2x9t n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x9t n GLY 56 N 2.58 -1.16 3.72 0.72 0.00 0.88 -3.64 105.19 108.29 2x9t n GLY 56 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2x9t n GLY 56 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2x9t s THR 57 N -2.54 2.35 0.12 2.61 -1.32 -1.26 -3.39 115.64 112.21 2x9t s THR 57 Ca 0.28 0.17 -0.17 0.00 -1.21 0.00 0.00 61.69 60.77 2x9t s THR 57 Cb 0.20 -2.72 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 2x9t s THR 57 CO 0.47 -0.10 1.63 1.55 -2.21 0.00 0.00 174.62 175.97 2x9t h PRO 58 N -0.35 0.55 -0.62 7.08 0.13 -1.86 -2.06 132.00 134.88 2x9t h PRO 58 Ca -0.47 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.53 2x9t h PRO 58 Cb 1.29 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2x9t h PRO 58 CO 0.50 0.58 0.35 -0.92 -0.23 0.00 0.00 178.00 178.28 2x9t h TYR 59 N 0.42 0.83 0.42 1.56 3.20 -1.93 0.79 116.97 122.26 2x9t h TYR 59 Ca 0.11 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2x9t h TYR 59 Cb 0.26 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2x9t h TYR 59 CO 0.01 0.57 -0.20 0.00 -1.64 0.00 0.00 178.16 176.89 2x9t h ALA 60 N 1.53 -0.57 0.00 1.82 0.00 -1.84 -0.80 119.26 119.40 2x9t h ALA 60 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2x9t h ALA 60 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2x9t h ALA 60 CO -0.04 -0.66 0.10 0.00 0.00 0.00 0.00 179.25 178.65 2x9t h ALA 61 N -0.48 1.10 -0.00 0.00 0.00 -1.13 0.74 119.26 119.49 2x9t h ALA 61 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2x9t h ALA 61 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2x9t h ALA 61 CO 0.10 -0.10 0.00 0.94 0.00 0.00 0.00 179.25 180.19 2x9t n GLN 62 N -2.99 0.00 -0.38 0.00 7.27 0.25 -2.66 117.38 118.87 2x9t n GLN 62 Ca -0.03 0.50 0.30 0.00 0.07 0.00 0.00 57.00 57.84 2x9t n GLN 62 Cb 0.16 -1.07 0.56 0.00 2.41 0.00 0.00 30.24 32.30 2x9t n GLN 62 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2x9t h LEU 63 N 0.00 0.38 -0.22 1.69 3.38 -0.76 0.67 115.31 120.45 2x9t h LEU 63 Ca 0.00 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2x9t h LEU 63 Cb 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2x9t h LEU 63 CO 0.00 -0.13 0.04 0.00 0.09 0.00 0.00 178.44 178.44 2x9t h ALA 64 N 1.71 0.29 -0.02 1.53 0.00 -0.97 -1.57 119.26 120.22 2x9t h ALA 64 Ca 0.75 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.50 2x9t h ALA 64 Cb 2.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 2x9t h ALA 64 CO -0.48 -0.05 0.03 0.00 0.00 0.00 0.00 179.25 178.75 2x9t h ALA 65 N 0.85 1.57 0.00 0.00 0.00 -0.64 -2.28 119.26 118.77 2x9t h ALA 65 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2x9t h ALA 65 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2x9t h ALA 65 CO 0.00 -0.04 -0.04 -0.07 0.00 0.00 0.00 179.25 179.11 2x9t h LEU 66 N 0.00 0.00 -1.31 0.00 3.38 -1.18 -2.57 115.31 113.63 2x9t h LEU 66 Ca 0.01 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.33 2x9t h LEU 66 Cb 0.06 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.69 2x9t h LEU 66 CO -0.00 0.36 0.72 -0.78 0.09 0.00 0.00 178.44 178.84 2x9t h ASP 67 N -0.69 0.38 -0.00 -0.43 1.82 -1.21 2.49 116.42 118.78 2x9t h ASP 67 Ca 0.00 0.13 -0.18 0.00 -0.39 0.00 0.00 57.03 56.58 2x9t h ASP 67 Cb 0.04 0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.15 2x9t h ASP 67 CO 0.00 -0.07 -0.71 0.00 -1.61 0.00 0.00 179.24 176.84 2x9t h ALA 68 N 1.66 0.09 -0.66 -0.78 0.00 -1.56 -0.35 119.26 117.66 2x9t h ALA 68 Ca 0.72 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2x9t h ALA 68 Cb 1.98 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 2x9t h ALA 68 CO -0.41 0.44 0.40 0.00 0.00 0.00 0.00 179.25 179.68 2x9t h ALA 69 N 0.34 0.84 0.53 0.00 0.00 0.12 -2.22 119.26 118.87 2x9t h ALA 69 Ca -0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2x9t h ALA 69 Cb 1.41 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2x9t h ALA 69 CO 0.14 0.31 -0.25 -0.22 0.00 0.00 0.00 179.25 179.23 2x9t h LYS 70 N 0.90 -0.68 -0.93 0.00 3.64 0.38 -3.01 116.57 116.87 2x9t h LYS 70 Ca 0.24 0.05 0.35 0.00 -1.27 0.00 0.00 60.65 60.02 2x9t h LYS 70 Cb -0.03 0.15 -0.17 0.00 -0.41 0.00 0.00 32.23 31.77 2x9t h LYS 70 CO -0.04 -0.45 0.37 1.63 -2.27 0.00 0.00 179.45 178.68 2x9t n LYS 71 N -4.08 -0.06 0.00 1.90 5.02 -0.15 0.19 118.16 120.99 2x9t n LYS 71 Ca -0.09 1.31 0.03 0.00 -2.02 0.00 0.00 58.31 57.55 2x9t n LYS 71 Cb 0.28 -2.28 0.16 0.00 -0.02 0.00 0.00 35.03 33.17 2x9t n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x9t n ALA 72 N -2.56 1.42 -0.01 7.82 0.00 -0.84 -2.67 120.51 123.67 2x9t n ALA 72 Ca 0.32 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.57 2x9t n ALA 72 Cb 1.06 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 19.30 2x9t n ALA 72 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2x9t h MET 73 N 0.00 0.29 -0.67 0.00 2.86 0.21 0.36 114.93 117.98 2x9t h MET 73 Ca 0.00 -0.30 0.14 0.00 -2.06 0.00 0.00 59.70 57.49 2x9t h MET 73 Cb 0.08 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 31.71 2x9t h MET 73 CO 0.00 0.99 0.02 0.00 1.06 0.00 0.00 176.91 178.98 2x9t h ALA 74 N 0.30 0.68 0.00 6.32 0.00 -1.64 1.24 119.26 126.16 2x9t h ALA 74 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2x9t h ALA 74 Cb 1.13 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2x9t h ALA 74 CO 0.08 -0.39 0.00 0.66 0.00 0.00 0.00 179.25 179.59 2x9t n TYR 75 N -5.29 0.00 -0.92 0.00 4.02 -1.23 -4.86 117.16 108.88 2x9t n TYR 75 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 2x9t n TYR 75 Cb 0.39 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 2x9t n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x9t n GLY 76 N -0.05 1.22 3.75 2.72 0.00 0.43 -3.84 105.19 109.41 2x9t n GLY 76 Ca 0.05 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 2x9t n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2x9t s MET 77 N -2.35 4.66 0.00 1.61 0.00 0.12 -3.66 119.30 119.69 2x9t s MET 77 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 55.69 57.39 2x9t s MET 77 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 34.83 31.58 2x9t s MET 77 CO 0.00 0.21 0.00 1.04 0.00 0.00 0.00 175.02 176.27 2x9t n GLN 78 N 1.77 0.00 -5.26 4.11 6.02 -0.46 -4.57 117.38 119.00 2x9t n GLN 78 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2x9t n GLN 78 Cb 0.46 -0.15 -0.16 0.00 1.02 0.00 0.00 30.24 31.40 2x9t n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2x9t s SER 79 N -4.75 3.00 0.11 1.08 1.04 -1.11 -1.19 113.70 111.89 2x9t s SER 79 Ca 0.00 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.96 2x9t s SER 79 Cb 0.00 -0.63 -0.01 0.00 0.10 0.00 0.00 66.02 65.48 2x9t s SER 79 CO 0.00 0.27 0.07 1.33 0.98 0.00 0.00 173.24 175.89 2x9t n VAL 80 N 2.76 0.00 -3.72 5.02 0.24 -0.90 -2.32 118.33 119.40 2x9t n VAL 80 Ca -0.17 -0.75 -0.19 0.00 -2.04 0.00 0.00 64.34 61.19 2x9t n VAL 80 Cb 0.52 0.33 -0.17 0.00 -1.47 0.00 0.00 33.84 33.05 2x9t n VAL 80 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2x9t s ASP 81 N -1.75 0.88 -0.11 -1.34 1.11 -1.19 -2.31 116.67 111.97 2x9t s ASP 81 Ca 0.10 0.05 -0.20 0.00 0.18 0.00 0.00 52.55 52.68 2x9t s ASP 81 Cb 0.00 -0.15 -0.04 0.00 1.07 0.00 0.00 42.92 43.80 2x9t s ASP 81 CO 0.07 -0.21 0.56 -0.69 1.18 0.00 0.00 175.17 176.08 2x9t s VAL 82 N 1.82 5.14 -0.30 -1.27 1.01 0.21 -1.21 120.40 125.81 2x9t s VAL 82 Ca 0.01 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2x9t s VAL 82 Cb -0.12 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.44 2x9t s VAL 82 CO -0.03 0.29 0.01 -0.63 0.00 0.00 0.00 175.10 174.74 2x9t s ILE 83 N 0.75 1.83 -0.12 2.22 1.01 -0.28 -0.32 121.20 126.29 2x9t s ILE 83 Ca 0.30 -1.79 -0.17 0.00 0.00 0.00 0.00 60.65 58.99 2x9t s ILE 83 Cb -0.16 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2x9t s ILE 83 CO 0.13 -0.40 0.43 0.68 0.00 0.00 0.00 174.94 175.78 2x9t s VAL 84 N 1.18 5.20 -0.10 2.92 -7.23 -0.28 -1.18 120.40 120.92 2x9t s VAL 84 Ca 0.03 0.85 -0.01 0.00 -1.81 0.00 0.00 61.98 61.05 2x9t s VAL 84 Cb -0.19 -3.77 0.03 0.00 0.56 0.00 0.00 36.38 33.01 2x9t s VAL 84 CO -0.10 0.36 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.87 2x9t s ARG 85 N 0.48 1.15 0.00 4.82 0.52 0.60 -0.80 118.95 125.73 2x9t s ARG 85 Ca 0.24 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 2x9t s ARG 85 Cb -0.15 -1.33 0.00 0.00 0.52 0.00 0.00 34.95 33.99 2x9t s ARG 85 CO 0.09 -0.28 0.00 0.41 0.02 0.00 0.00 175.30 175.54 2x9t n GLY 86 N 5.03 0.73 3.64 -3.53 0.00 -1.26 -1.47 105.19 108.32 2x9t n GLY 86 Ca -0.10 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.74 2x9t n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x9t s THR 87 N -1.35 0.00 0.00 2.61 2.01 0.57 -4.90 115.64 114.58 2x9t s THR 87 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2x9t s THR 87 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2x9t s THR 87 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2x9t n GLY 88 N 3.02 2.76 0.00 4.40 0.00 -1.26 -3.24 105.19 110.86 2x9t n GLY 88 Ca -0.15 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2x9t n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9t n ALA 89 N -0.82 0.49 -0.21 4.61 0.00 -1.24 0.05 120.51 123.40 2x9t n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2x9t n ALA 89 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2x9t n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9t n GLY 90 N -1.01 -0.88 0.31 0.00 0.00 -1.22 -2.90 105.19 99.50 2x9t n GLY 90 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2x9t n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2x9t h ARG 91 N 0.00 1.08 0.27 1.61 1.12 -0.74 -1.68 114.38 116.03 2x9t h ARG 91 Ca 0.00 -0.14 -0.01 0.00 -1.11 0.00 0.00 59.98 58.72 2x9t h ARG 91 Cb 0.12 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 29.88 2x9t h ARG 91 CO 0.00 0.82 -0.13 1.49 -3.11 0.00 0.00 179.97 179.04 2x9t h GLU 92 N 1.06 -0.35 -0.99 0.20 4.57 -1.86 -3.19 114.58 114.03 2x9t h GLU 92 Ca 0.27 0.02 0.35 0.00 -1.18 0.00 0.00 59.36 58.82 2x9t h GLU 92 Cb 0.07 0.08 -0.18 0.00 -0.16 0.00 0.00 28.75 28.56 2x9t h GLU 92 CO -0.04 -0.23 0.35 1.96 -1.18 0.00 0.00 179.01 179.87 2x9t h GLN 93 N -0.54 0.05 0.03 1.92 1.08 -1.86 0.64 115.11 116.43 2x9t h GLN 93 Ca -0.04 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2x9t h GLN 93 Cb 0.28 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 2x9t h GLN 93 CO 0.06 0.03 -0.38 0.00 -0.95 0.00 0.00 178.83 177.59 2x9t h ALA 94 N 1.97 -0.84 -0.05 3.87 0.00 -1.33 1.66 119.26 124.53 2x9t h ALA 94 Ca 0.73 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.60 2x9t h ALA 94 Cb 1.77 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 20.31 2x9t h ALA 94 CO -0.80 -0.95 -0.54 0.82 0.00 0.00 0.00 179.25 177.79 2x9t h ILE 95 N -0.50 0.01 0.01 0.00 2.04 -0.89 -1.64 117.51 116.54 2x9t h ILE 95 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2x9t h ILE 95 Cb 0.52 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2x9t h ILE 95 CO -0.24 0.00 -0.30 0.03 0.00 0.00 0.00 178.15 177.64 2x9t h ARG 96 N -0.64 -0.36 -0.87 2.37 3.08 -0.95 -2.24 114.38 114.77 2x9t h ARG 96 Ca 0.02 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.34 2x9t h ARG 96 Cb 0.71 0.08 -0.16 0.00 0.08 0.00 0.00 29.97 30.68 2x9t h ARG 96 CO -0.39 -0.24 0.03 0.00 -1.07 0.00 0.00 179.97 178.30 2x9t n ALA 97 N -2.76 0.45 0.22 0.04 0.00 0.56 -0.04 120.51 118.99 2x9t n ALA 97 Ca -0.04 0.93 -0.15 0.00 0.00 0.00 0.00 53.44 54.18 2x9t n ALA 97 Cb 0.22 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 2x9t n ALA 97 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2x9t h LEU 98 N 0.00 -0.45 -0.12 0.00 3.38 -0.73 -3.22 115.31 114.18 2x9t h LEU 98 Ca 0.53 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.49 2x9t h LEU 98 Cb 1.10 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2x9t h LEU 98 CO -0.81 -0.26 -0.19 1.56 0.09 0.00 0.00 178.44 178.82 2x9t h GLN 99 N -0.60 -0.15 -3.83 1.13 4.20 -0.04 -2.96 115.11 112.86 2x9t h GLN 99 Ca -0.05 0.01 -0.44 0.00 0.06 0.00 0.00 58.65 58.23 2x9t h GLN 99 Cb 0.45 0.03 0.03 0.00 0.30 0.00 0.00 27.48 28.29 2x9t h GLN 99 CO 0.09 -0.10 2.37 0.00 -0.67 0.00 0.00 178.83 180.52 2x9t n ALA 100 N -2.81 3.91 0.00 3.87 0.00 -0.61 -4.17 120.51 120.71 2x9t n ALA 100 Ca -0.01 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.16 2x9t n ALA 100 Cb 0.12 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.40 2x9t n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2x9t n SER 101 N 5.37 0.00 -3.09 0.00 3.41 -1.12 -4.88 113.62 113.32 2x9t n SER 101 Ca 0.43 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.87 2x9t n SER 101 Cb 0.21 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 2x9t n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x9t n GLY 102 N 0.00 -0.12 3.26 5.00 0.00 -1.26 -4.86 105.19 107.21 2x9t n GLY 102 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2x9t n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x9t s LEU 103 N -4.38 -0.21 0.12 0.99 1.98 -1.26 -4.84 118.68 111.08 2x9t s LEU 103 Ca 0.21 0.91 -0.30 0.00 -2.89 0.00 0.00 54.13 52.05 2x9t s LEU 103 Cb -0.12 1.33 -0.06 0.00 0.66 0.00 0.00 46.19 48.00 2x9t s LEU 103 CO 0.46 -0.20 1.05 -1.58 -1.89 0.00 0.00 176.35 174.19 2x9t s GLN 104 N 1.66 4.61 -0.94 1.98 0.74 -0.33 -4.53 119.66 122.85 2x9t s GLN 104 Ca -0.08 1.60 -0.01 0.00 0.05 0.00 0.00 55.36 56.92 2x9t s GLN 104 Cb -0.09 -3.34 0.30 0.00 1.10 0.00 0.00 33.01 30.98 2x9t s GLN 104 CO -0.13 0.07 1.40 1.33 -0.55 0.00 0.00 175.29 177.41 2x9t n VAL 105 N 2.86 4.82 -0.26 1.34 0.24 -1.26 -2.13 118.33 123.95 2x9t n VAL 105 Ca 0.04 -5.80 -0.07 0.00 -2.04 0.00 0.00 64.34 56.47 2x9t n VAL 105 Cb 0.48 -1.88 -0.06 0.00 -1.47 0.00 0.00 33.84 30.91 2x9t n VAL 105 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2x9t n LYS 106 N 0.73 -0.27 -3.70 7.34 5.02 -0.98 -4.64 118.16 121.66 2x9t n LYS 106 Ca 0.33 1.02 -0.14 0.00 -2.02 0.00 0.00 58.31 57.49 2x9t n LYS 106 Cb 0.33 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 2x9t n LYS 106 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2x9t s SER 107 N -5.07 -0.41 -0.28 4.39 1.04 -1.26 -5.06 113.70 107.05 2x9t s SER 107 Ca -0.07 0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2x9t s SER 107 Cb 0.07 0.64 0.06 0.00 0.10 0.00 0.00 66.02 66.89 2x9t s SER 107 CO 0.38 -0.35 -0.04 -0.63 0.98 0.00 0.00 173.24 173.58 2x9t s ILE 108 N -0.60 2.63 -0.07 -1.02 1.09 -1.26 -0.62 121.20 121.35 2x9t s ILE 108 Ca -0.07 -1.52 -0.00 0.00 -1.10 0.00 0.00 60.65 57.96 2x9t s ILE 108 Cb -0.03 -2.53 -0.03 0.00 -1.06 0.00 0.00 42.46 38.80 2x9t s ILE 108 CO 0.04 -0.09 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.06 2x9t s VAL 109 N 1.18 3.95 -0.39 2.92 1.01 0.57 -5.00 120.40 124.64 2x9t s VAL 109 Ca -0.06 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 2x9t s VAL 109 Cb -0.20 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.56 2x9t s VAL 109 CO -0.03 0.60 0.27 -0.62 0.00 0.00 0.00 175.10 175.32 2x9t s ASP 110 N -0.85 6.02 -0.57 3.32 2.15 -1.26 -1.12 116.67 124.36 2x9t s ASP 110 Ca 0.13 -0.84 0.07 0.00 0.43 0.00 0.00 52.55 52.33 2x9t s ASP 110 Cb -0.11 -2.13 0.27 0.00 -0.30 0.00 0.00 42.92 40.65 2x9t s ASP 110 CO 0.02 -0.40 0.75 -0.67 -0.17 0.00 0.00 175.17 174.69 2x9t n ASP 111 N 5.12 3.08 -4.75 -0.34 4.64 0.02 -4.95 116.55 119.37 2x9t n ASP 111 Ca -0.11 -3.33 -0.38 0.00 -1.38 0.00 0.00 54.79 49.58 2x9t n ASP 111 Cb 0.47 -0.64 -0.06 0.00 -1.04 0.00 0.00 41.12 39.85 2x9t n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 2x9t s THR 112 N -2.63 5.09 0.00 5.18 2.01 -1.25 -4.54 115.64 119.51 2x9t s THR 112 Ca 0.41 1.02 -0.30 0.00 0.31 0.00 0.00 61.69 63.13 2x9t s THR 112 Cb 0.19 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 2x9t s THR 112 CO -0.06 0.38 2.00 -0.81 -0.69 0.00 0.00 174.62 175.45 2x9t n PRO 113 N 3.18 2.73 -3.99 4.92 -0.04 -1.26 -4.98 135.00 135.56 2x9t n PRO 113 Ca -0.08 0.98 -0.32 0.00 -0.04 0.00 0.00 63.50 64.04 2x9t n PRO 113 Cb 0.52 -3.02 -0.14 0.00 -0.04 0.00 0.00 33.50 30.81 2x9t n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2x9t s VAL 114 N 4.90 2.46 0.39 0.52 0.11 -1.26 -5.10 120.40 122.41 2x9t s VAL 114 Ca 0.91 -2.00 -0.26 0.00 -2.93 0.00 0.00 61.98 57.70 2x9t s VAL 114 Cb -0.44 -2.65 -0.09 0.00 -1.53 0.00 0.00 36.38 31.68 2x9t s VAL 114 CO 0.42 -0.39 1.18 -2.16 -3.33 0.00 0.00 175.10 170.82 2x9t s PRO 115 N 1.03 4.10 -0.15 1.54 0.04 -1.26 -4.91 135.00 135.39 2x9t s PRO 115 Ca 0.03 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2x9t s PRO 115 Cb -0.20 -2.73 0.17 0.00 0.04 0.00 0.00 34.50 31.78 2x9t s PRO 115 CO -0.06 -0.29 1.55 0.72 0.04 0.00 0.00 177.00 178.96 2x9t n HIS 116 N 0.18 0.90 -1.97 0.56 8.25 -1.26 -4.80 115.22 117.08 2x9t n HIS 116 Ca 0.04 -1.15 -0.02 0.00 -0.26 0.00 0.00 57.72 56.33 2x9t n HIS 116 Cb 0.46 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 31.00 2x9t n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2x9t n ASN 117 N 0.32 -4.15 0.05 0.41 5.03 -1.26 -5.08 115.26 110.58 2x9t n ASN 117 Ca 0.17 0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.91 2x9t n ASN 117 Cb 0.73 -2.58 0.00 0.00 -1.02 0.00 0.00 39.78 36.91 2x9t n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x9t n GLY 118 N -0.24 -0.05 3.79 7.41 0.00 -1.26 -5.07 105.19 109.76 2x9t n GLY 118 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2x9t n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9t s ARG 120 N -0.22 4.17 0.82 0.00 3.52 -1.26 -5.01 118.95 120.97 2x9t s ARG 120 Ca 0.14 2.25 -0.07 0.00 -0.13 0.00 0.00 55.73 57.92 2x9t s ARG 120 Cb -0.12 -2.94 0.16 0.00 -1.56 0.00 0.00 34.95 30.49 2x9t s ARG 120 CO 0.03 -0.36 1.13 -2.14 -0.81 0.00 0.00 175.30 173.16 2x9t s PRO 121 N -2.01 1.25 1.23 5.12 0.02 -1.26 -5.09 135.00 134.26 2x9t s PRO 121 Ca 0.52 -0.81 -0.19 0.00 0.02 0.00 0.00 61.00 60.55 2x9t s PRO 121 Cb -0.40 -2.12 0.29 0.00 0.02 0.00 0.00 34.50 32.29 2x9t s PRO 121 CO 0.53 -1.85 1.05 0.15 -0.33 0.00 0.00 177.00 176.55 2x9t s LYS 122 N -5.46 -1.43 0.24 5.54 1.02 -1.26 -4.83 119.74 113.57 2x9t s LYS 122 Ca 0.69 0.15 0.10 0.00 0.02 0.00 0.00 55.97 56.94 2x9t s LYS 122 Cb -0.05 -1.55 0.24 0.00 -0.52 0.00 0.00 37.83 35.95 2x9t s LYS 122 CO 0.48 -3.89 1.54 -0.22 -0.92 0.00 0.00 175.35 172.34 2x9t h LYS 123 N -2.72 0.00 -0.42 1.68 3.64 -1.98 -2.95 116.57 113.82 2x9t h LYS 123 Ca -0.48 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 2x9t h LYS 123 Cb 1.32 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 2x9t h LYS 123 CO 0.38 0.69 0.28 -0.22 -2.27 0.00 0.00 179.45 178.31 2x9t h LYS 124 N 0.00 0.41 -0.37 1.90 3.64 -2.03 -1.43 116.57 118.68 2x9t h LYS 124 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2x9t h LYS 124 Cb 1.24 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2x9t h LYS 124 CO 0.09 0.27 0.00 1.19 -2.27 0.00 0.00 179.45 178.73 2x9t n PHE 125 N -4.48 0.48 0.78 1.91 3.01 -1.16 -4.03 117.46 113.97 2x9t n PHE 125 Ca 0.05 -0.24 0.09 0.00 1.01 0.00 0.00 57.45 58.35 2x9t n PHE 125 Cb 0.18 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.66 2x9t n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2x9t n ARG 126 N 1.23 1.57 -0.31 -1.08 1.74 -0.54 -4.52 116.66 114.75 2x9t n ARG 126 Ca 0.19 -1.03 0.29 0.00 -0.77 0.00 0.00 57.85 56.53 2x9t n ARG 126 Cb 0.54 -1.33 0.50 0.00 -1.02 0.00 0.00 32.46 31.15 2x9t n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2x9t n LYS 127 N 0.16 -0.04 -2.62 5.56 4.76 -1.19 -2.11 118.16 122.68 2x9t n LYS 127 Ca 0.08 1.05 -0.42 0.00 -2.87 0.00 0.00 58.31 56.15 2x9t n LYS 127 Cb 0.39 -1.97 -0.02 0.00 -1.84 0.00 0.00 35.03 31.60 2x9t n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x9t s ALA 128 N -5.06 3.04 -1.28 7.82 0.00 -1.26 -5.19 121.76 119.83 2x9t s ALA 128 Ca -0.07 -2.59 0.00 0.00 0.00 0.00 0.00 51.96 49.31 2x9t s ALA 128 Cb 0.26 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2x9t s ALA 128 CO 0.63 -3.41 0.32 0.45 0.00 0.00 0.00 175.76 173.75