#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s s GLU 2 N 0.00 0.88 -0.04 2.12 -1.05 -1.26 -3.81 118.70 115.54 2x9s s GLU 2 Ca 0.00 -0.66 0.03 0.00 -0.15 0.00 0.00 54.97 54.19 2x9s s GLU 2 Cb 0.00 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 2x9s s GLU 2 CO 0.00 -0.30 -0.13 0.00 0.95 0.00 0.00 175.26 175.78 2x9s s ALA 3 N -3.17 1.23 0.54 -0.84 0.00 -0.34 -4.96 121.76 114.21 2x9s s ALA 3 Ca -0.01 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2x9s s ALA 3 Cb 0.01 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.70 2x9s s ALA 3 CO -0.07 0.18 0.26 0.36 0.00 0.00 0.00 175.76 176.49 2x9s n LYS 4 N 3.38 0.70 0.00 0.00 2.85 -1.26 0.25 118.16 124.09 2x9s n LYS 4 Ca -0.20 -3.57 0.00 0.00 -1.05 0.00 0.00 58.31 53.49 2x9s n LYS 4 Cb 0.53 0.60 0.00 0.00 -0.65 0.00 0.00 35.03 35.51 2x9s n LYS 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2x9s n ALA 5 N -1.67 1.25 -0.85 0.58 0.00 -0.93 -4.63 120.51 114.25 2x9s n ALA 5 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2x9s n ALA 5 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2x9s n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2x9s n ILE 6 N -0.59 -1.71 -3.35 0.00 5.41 -1.23 -4.93 119.36 112.97 2x9s n ILE 6 Ca 0.00 0.00 -0.44 0.00 1.00 0.00 0.00 62.75 63.31 2x9s n ILE 6 Cb 0.00 -2.39 -0.08 0.00 -0.71 0.00 0.00 39.64 36.47 2x9s n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2x9s s ALA 7 N 0.00 3.51 -0.02 -1.39 0.00 0.20 -4.95 121.76 119.12 2x9s s ALA 7 Ca 0.00 -1.96 -0.25 0.00 0.00 0.00 0.00 51.96 49.75 2x9s s ALA 7 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2x9s s ALA 7 CO 0.00 -1.74 0.78 1.03 0.00 0.00 0.00 175.76 175.82 2x9s s ARG 8 N 1.87 4.48 -1.00 0.00 1.81 -1.26 -1.96 118.95 122.89 2x9s s ARG 8 Ca 0.07 1.05 0.00 0.00 -1.72 0.00 0.00 55.73 55.13 2x9s s ARG 8 Cb -0.22 -3.42 0.00 0.00 -0.45 0.00 0.00 34.95 30.86 2x9s s ARG 8 CO 0.08 0.12 0.00 0.66 -0.68 0.00 0.00 175.30 175.48 2x9s n TYR 9 N 3.47 -0.34 -0.35 -0.53 4.02 -0.66 -4.96 117.16 117.81 2x9s n TYR 9 Ca -0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.83 2x9s n TYR 9 Cb 0.51 -2.37 -0.03 0.00 -0.02 0.00 0.00 39.34 37.43 2x9s n TYR 9 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2x9s n VAL 10 N -3.56 -0.52 -0.33 -0.72 0.31 0.44 -4.65 118.33 109.30 2x9s n VAL 10 Ca -0.12 2.05 0.00 0.00 -0.01 0.00 0.00 64.34 66.26 2x9s n VAL 10 Cb 0.51 -2.62 0.00 0.00 -0.91 0.00 0.00 33.84 30.83 2x9s n VAL 10 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2x9s n ARG 11 N -5.17 0.00 -3.64 5.55 0.00 -1.26 -4.87 116.66 107.28 2x9s n ARG 11 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.76 2x9s n ARG 11 Cb 0.28 -0.35 -0.07 0.00 0.00 0.00 0.00 32.46 32.31 2x9s n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2x9s s ILE 12 N -2.04 0.00 0.05 5.15 2.07 -1.23 -4.95 121.20 120.25 2x9s s ILE 12 Ca 0.00 -0.01 -0.30 0.00 -1.41 0.00 0.00 60.65 58.92 2x9s s ILE 12 Cb 0.00 -0.91 -0.08 0.00 0.13 0.00 0.00 42.46 41.60 2x9s s ILE 12 CO 0.00 -0.01 1.66 -0.55 -1.91 0.00 0.00 174.94 174.13 2x9s s SER 13 N 0.08 6.62 0.09 4.50 0.15 -1.26 -3.24 113.70 120.63 2x9s s SER 13 Ca -0.02 2.44 -0.17 0.00 0.70 0.00 0.00 55.95 58.90 2x9s s SER 13 Cb -0.04 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2x9s s SER 13 CO 0.02 -0.89 1.21 -2.65 1.20 0.00 0.00 173.24 172.13 2x9s n PRO 14 N 5.91 -0.24 -0.28 5.44 -0.02 -1.26 -0.23 135.00 144.32 2x9s n PRO 14 Ca 0.16 1.19 0.24 0.00 -2.02 0.00 0.00 63.50 63.07 2x9s n PRO 14 Cb 0.41 -1.76 0.44 0.00 -0.02 0.00 0.00 33.50 32.57 2x9s n PRO 14 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2x9s n ARG 15 N -4.26 -0.05 0.02 -0.52 0.63 -1.26 -0.39 116.66 110.83 2x9s n ARG 15 Ca 0.01 1.19 -0.13 0.00 -0.92 0.00 0.00 57.85 58.01 2x9s n ARG 15 Cb 0.14 -2.08 -0.09 0.00 0.45 0.00 0.00 32.46 30.88 2x9s n ARG 15 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2x9s h LYS 16 N 0.00 -0.10 -0.55 -0.14 1.57 -0.98 -3.33 116.57 113.04 2x9s h LYS 16 Ca 0.67 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.47 2x9s h LYS 16 Cb 1.71 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 34.01 2x9s h LYS 16 CO -0.68 0.37 0.35 0.28 -0.57 0.00 0.00 179.45 179.19 2x9s h VAL 17 N -0.62 1.11 -0.90 0.50 2.07 -0.41 -2.79 116.25 115.20 2x9s h VAL 17 Ca -0.01 -0.24 0.19 0.00 0.82 0.00 0.00 66.70 67.45 2x9s h VAL 17 Cb 0.52 0.34 -0.17 0.00 -1.52 0.00 0.00 31.29 30.46 2x9s h VAL 17 CO 0.02 0.13 -0.20 0.03 0.02 0.00 0.00 177.57 177.57 2x9s h ARG 18 N 0.70 0.01 -0.72 1.57 3.08 -1.41 0.08 114.38 117.69 2x9s h ARG 18 Ca 0.21 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.40 2x9s h ARG 18 Cb -0.04 -0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.87 2x9s h ARG 18 CO -0.07 0.00 -0.21 -0.07 -1.07 0.00 0.00 179.97 178.55 2x9s h LEU 19 N 0.01 -0.78 -0.46 3.04 4.07 -1.61 0.22 115.31 119.80 2x9s h LEU 19 Ca 0.44 0.22 -0.16 0.00 0.08 0.00 0.00 57.88 58.47 2x9s h LEU 19 Cb 0.70 0.48 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 2x9s h LEU 19 CO -0.91 -0.25 -0.46 -0.37 -1.08 0.00 0.00 178.44 175.36 2x9s h VAL 20 N -0.03 1.29 -0.86 1.22 -1.51 -1.14 -3.11 116.25 112.11 2x9s h VAL 20 Ca 0.33 -1.65 0.05 0.00 -1.23 0.00 0.00 66.70 64.21 2x9s h VAL 20 Cb 0.54 1.55 -0.06 0.00 -2.13 0.00 0.00 31.29 31.19 2x9s h VAL 20 CO -0.75 0.53 0.54 0.58 -1.23 0.00 0.00 177.57 177.24 2x9s h VAL 21 N 0.61 1.07 -0.03 7.19 2.07 -0.12 0.96 116.25 127.99 2x9s h VAL 21 Ca 0.04 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.22 2x9s h VAL 21 Cb 1.03 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2x9s h VAL 21 CO 0.10 0.18 0.04 0.44 0.02 0.00 0.00 177.57 178.35 2x9s h ASP 22 N 1.01 0.00 0.75 0.57 3.45 -0.62 -0.81 116.42 120.76 2x9s h ASP 22 Ca 0.37 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.83 2x9s h ASP 22 Cb 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 2x9s h ASP 22 CO -0.16 0.00 0.00 0.25 -1.57 0.00 0.00 179.24 177.76 2x9s h LEU 23 N 0.00 0.00 -0.17 1.55 5.85 -0.79 -3.27 115.31 118.49 2x9s h LEU 23 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2x9s h LEU 23 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2x9s h LEU 23 CO -0.00 0.00 0.00 2.30 -0.34 0.00 0.00 178.44 180.40 2x9s n ILE 24 N -2.43 0.00 -1.65 4.05 -5.35 -0.34 -4.96 119.36 108.68 2x9s n ILE 24 Ca 0.02 -0.42 -0.45 0.00 -0.27 0.00 0.00 62.75 61.62 2x9s n ILE 24 Cb 0.23 1.03 -0.02 0.00 -1.74 0.00 0.00 39.64 39.14 2x9s n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2x9s n ARG 25 N -0.68 1.83 0.00 6.28 0.63 -1.01 -1.75 116.66 121.97 2x9s n ARG 25 Ca 0.00 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 2x9s n ARG 25 Cb 0.01 -2.24 0.00 0.00 0.45 0.00 0.00 32.46 30.68 2x9s n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2x9s n GLY 26 N 1.82 2.17 3.89 5.14 0.00 -0.55 -5.00 105.19 112.67 2x9s n GLY 26 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2x9s n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9s s LYS 27 N 0.00 2.83 0.82 1.61 1.02 -0.71 -4.60 119.74 120.70 2x9s s LYS 27 Ca 0.00 0.31 -0.11 0.00 0.02 0.00 0.00 55.97 56.19 2x9s s LYS 27 Cb 0.00 -2.09 0.08 0.00 -0.52 0.00 0.00 37.83 35.30 2x9s s LYS 27 CO 0.00 -0.97 1.09 -1.54 -0.92 0.00 0.00 175.35 173.01 2x9s s SER 28 N -4.36 4.20 0.45 2.83 1.04 -1.26 0.03 113.70 116.63 2x9s s SER 28 Ca 0.57 1.60 0.13 0.00 0.48 0.00 0.00 55.95 58.73 2x9s s SER 28 Cb -0.11 -2.31 1.01 0.00 0.10 0.00 0.00 66.02 64.71 2x9s s SER 28 CO 0.50 -2.19 2.02 0.25 0.98 0.00 0.00 173.24 174.79 2x9s h LEU 29 N -1.24 0.07 0.15 2.42 5.85 -1.69 -0.57 115.31 120.31 2x9s h LEU 29 Ca -0.46 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 2x9s h LEU 29 Cb 1.25 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2x9s h LEU 29 CO 0.54 0.19 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.68 2x9s h GLU 30 N 0.08 -0.20 -0.30 1.25 4.81 -1.91 -0.67 114.58 117.64 2x9s h GLU 30 Ca 0.02 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2x9s h GLU 30 Cb 0.23 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 2x9s h GLU 30 CO 0.01 0.19 -0.06 0.93 -0.73 0.00 0.00 179.01 179.35 2x9s h GLU 31 N -0.64 0.01 -0.12 1.92 5.08 -1.87 -0.73 114.58 118.23 2x9s h GLU 31 Ca -0.02 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2x9s h GLU 31 Cb 0.48 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2x9s h GLU 31 CO 0.03 0.01 -0.45 0.00 -1.00 0.00 0.00 179.01 177.61 2x9s h ALA 32 N 1.29 -0.81 -0.71 3.43 0.00 -1.06 0.78 119.26 122.18 2x9s h ALA 32 Ca 0.14 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.16 2x9s h ALA 32 Cb 0.21 0.94 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 2x9s h ALA 32 CO -0.30 -0.97 0.11 0.00 0.00 0.00 0.00 179.25 178.10 2x9s h ARG 33 N -0.47 0.20 0.44 0.00 3.08 -0.76 -0.70 114.38 116.18 2x9s h ARG 33 Ca 0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2x9s h ARG 33 Cb 0.55 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2x9s h ARG 33 CO -0.37 0.14 -0.21 -0.91 -1.07 0.00 0.00 179.97 177.55 2x9s h ASN 34 N 0.21 -0.50 -0.10 7.04 -0.26 0.02 -0.98 115.58 121.01 2x9s h ASN 34 Ca 0.39 -0.08 0.02 0.00 -0.56 0.00 0.00 56.30 56.07 2x9s h ASN 34 Cb 0.66 0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 38.02 2x9s h ASN 34 CO -0.53 -0.21 -0.22 0.40 -1.06 0.00 0.00 177.43 175.81 2x9s h ILE 35 N -0.80 0.00 -0.84 2.81 1.08 0.11 -1.50 117.51 118.37 2x9s h ILE 35 Ca -0.06 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.58 2x9s h ILE 35 Cb 0.55 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.19 2x9s h ILE 35 CO 0.10 0.00 0.39 -0.07 -0.69 0.00 0.00 178.15 177.88 2x9s h LEU 36 N -0.21 0.39 -0.60 1.44 3.38 -1.21 -1.69 115.31 116.81 2x9s h LEU 36 Ca 0.02 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.22 2x9s h LEU 36 Cb 0.26 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2x9s h LEU 36 CO -0.20 0.11 -0.29 -0.09 0.09 0.00 0.00 178.44 178.06 2x9s h ARG 37 N 0.50 -0.12 -0.86 1.13 9.65 -0.15 -2.11 114.38 122.42 2x9s h ARG 37 Ca 0.49 0.01 -0.55 0.00 -1.10 0.00 0.00 59.98 58.82 2x9s h ARG 37 Cb 0.79 0.03 -0.29 0.00 -1.39 0.00 0.00 29.97 29.11 2x9s h ARG 37 CO -0.43 -0.08 0.39 0.66 2.80 0.00 0.00 179.97 183.31 2x9s n TYR 38 N -5.44 2.80 -3.74 2.20 4.01 -0.69 -4.93 117.16 111.37 2x9s n TYR 38 Ca 0.05 -2.44 -0.37 0.00 -0.16 0.00 0.00 57.90 54.98 2x9s n TYR 38 Cb 0.35 -1.02 -0.11 0.00 -0.31 0.00 0.00 39.34 38.26 2x9s n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2x9s s THR 39 N -4.24 4.80 -1.35 -0.72 2.01 -0.80 -5.03 115.64 110.31 2x9s s THR 39 Ca 0.58 -0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.42 2x9s s THR 39 Cb 0.47 -3.24 0.09 0.00 0.01 0.00 0.00 72.50 69.83 2x9s s THR 39 CO 0.02 0.33 1.92 -3.20 -0.69 0.00 0.00 174.62 173.00 2x9s n ASN 40 N 4.67 4.58 -3.70 3.53 2.85 -1.26 -4.82 115.26 121.12 2x9s n ASN 40 Ca -0.15 -2.93 -0.13 0.00 -0.11 0.00 0.00 54.58 51.25 2x9s n ASN 40 Cb 0.52 -1.65 -0.09 0.00 1.24 0.00 0.00 39.78 39.80 2x9s n ASN 40 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2x9s s LYS 41 N 2.85 0.60 0.19 1.20 -0.14 -1.26 -5.03 119.74 118.15 2x9s s LYS 41 Ca 0.47 0.72 -0.12 0.00 -1.36 0.00 0.00 55.97 55.68 2x9s s LYS 41 Cb 0.08 0.29 0.18 0.00 -1.68 0.00 0.00 37.83 36.71 2x9s s LYS 41 CO -0.01 -0.07 1.77 -0.09 -0.76 0.00 0.00 175.35 176.19 2x9s h ARG 42 N 5.32 0.46 -0.72 1.68 2.43 -1.99 -2.04 114.38 119.53 2x9s h ARG 42 Ca -0.28 -0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.03 2x9s h ARG 42 Cb 1.17 -0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 30.50 2x9s h ARG 42 CO 0.18 0.30 0.06 0.78 -1.51 0.00 0.00 179.97 179.78 2x9s h GLY 43 N 0.47 0.86 -0.83 2.80 0.00 -1.94 -2.70 103.07 101.72 2x9s h GLY 43 Ca 0.25 0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.76 2x9s h GLY 43 CO -0.21 -0.24 -0.33 0.00 0.00 0.00 0.00 176.54 175.76 2x9s n ALA 44 N -2.81 -0.13 -0.07 3.60 0.00 -0.77 -0.65 120.51 119.68 2x9s n ALA 44 Ca 0.13 0.82 -0.10 0.00 0.00 0.00 0.00 53.44 54.29 2x9s n ALA 44 Cb 0.44 -0.36 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 2x9s n ALA 44 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2x9s h TYR 45 N 0.00 -1.15 -0.85 0.00 3.20 -1.62 0.99 116.97 117.53 2x9s h TYR 45 Ca 0.28 0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.22 2x9s h TYR 45 Cb 0.49 0.54 -0.04 0.00 1.54 0.00 0.00 36.73 39.26 2x9s h TYR 45 CO -0.74 -0.44 0.56 0.74 -1.64 0.00 0.00 178.16 176.64 2x9s h PHE 46 N -0.38 1.08 -0.68 -3.82 0.04 -1.01 -0.78 116.94 111.39 2x9s h PHE 46 Ca 0.12 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.85 2x9s h PHE 46 Cb 0.59 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 2x9s h PHE 46 CO -0.54 0.68 0.20 0.28 -0.60 0.00 0.00 178.31 178.33 2x9s h VAL 47 N 1.16 1.26 0.46 -0.55 2.07 -0.62 -2.31 116.25 117.72 2x9s h VAL 47 Ca 0.31 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2x9s h VAL 47 Cb -0.13 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2x9s h VAL 47 CO -0.07 0.35 -0.34 0.00 0.02 0.00 0.00 177.57 177.53 2x9s h ALA 48 N 1.09 -0.80 -0.76 1.67 0.00 -0.35 0.27 119.26 120.37 2x9s h ALA 48 Ca 0.22 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.15 2x9s h ALA 48 Cb 0.32 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 2x9s h ALA 48 CO -0.00 -0.97 0.19 -0.22 0.00 0.00 0.00 179.25 178.24 2x9s h LYS 49 N -0.79 0.26 -0.01 0.00 3.64 -1.01 0.21 116.57 118.87 2x9s h LYS 49 Ca -0.05 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 2x9s h LYS 49 Cb 0.67 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2x9s h LYS 49 CO 0.01 0.17 -0.72 -0.24 -2.27 0.00 0.00 179.45 176.40 2x9s h VAL 50 N 0.27 1.50 -0.67 2.00 3.04 -1.07 -2.27 116.25 119.06 2x9s h VAL 50 Ca 0.43 -2.43 -0.08 0.00 -1.01 0.00 0.00 66.70 63.61 2x9s h VAL 50 Cb 0.76 2.31 -0.03 0.00 -2.01 0.00 0.00 31.29 32.33 2x9s h VAL 50 CO -0.53 0.70 0.11 0.25 -1.01 0.00 0.00 177.57 177.09 2x9s h LEU 51 N 0.02 1.06 -0.04 3.16 6.46 0.22 -1.12 115.31 125.07 2x9s h LEU 51 Ca -0.01 -0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 57.49 2x9s h LEU 51 Cb 1.28 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.93 2x9s h LEU 51 CO 0.10 1.05 0.01 -0.08 -0.62 0.00 0.00 178.44 178.89 2x9s h GLU 52 N 1.03 0.06 -0.57 1.25 4.57 -0.61 -2.40 114.58 117.91 2x9s h GLU 52 Ca 0.20 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.48 2x9s h GLU 52 Cb 0.43 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.93 2x9s h GLU 52 CO 0.01 0.29 0.06 1.03 -1.18 0.00 0.00 179.01 179.22 2x9s h SER 53 N -0.17 -0.13 -0.87 1.04 0.87 -1.19 0.13 113.55 113.23 2x9s h SER 53 Ca 0.01 0.12 0.10 0.00 -1.23 0.00 0.00 61.79 60.80 2x9s h SER 53 Cb 0.25 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.35 2x9s h SER 53 CO 0.00 -0.05 0.56 0.00 -0.53 0.00 0.00 176.83 176.82 2x9s h ALA 54 N 1.49 1.68 0.28 6.23 0.00 -0.97 -1.67 119.26 126.30 2x9s h ALA 54 Ca 0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2x9s h ALA 54 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2x9s h ALA 54 CO -0.44 0.14 -0.14 0.00 0.00 0.00 0.00 179.25 178.82 2x9s h ALA 55 N 1.57 -0.38 -0.27 0.00 0.00 -0.49 -1.46 119.26 118.23 2x9s h ALA 55 Ca 0.41 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2x9s h ALA 55 Cb 0.44 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2x9s h ALA 55 CO -0.17 -0.56 -0.53 0.00 0.00 0.00 0.00 179.25 177.99 2x9s h ALA 56 N -0.09 -0.82 -0.80 0.00 0.00 -0.95 -0.17 119.26 116.44 2x9s h ALA 56 Ca -0.04 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.96 2x9s h ALA 56 Cb 0.48 1.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.19 2x9s h ALA 56 CO 0.06 -1.04 -0.44 -0.91 0.00 0.00 0.00 179.25 176.92 2x9s h ASN 57 N -0.46 -1.58 -0.01 0.00 -0.26 -1.28 1.12 115.58 113.11 2x9s h ASN 57 Ca 0.05 0.28 0.00 0.00 -0.56 0.00 0.00 56.30 56.08 2x9s h ASN 57 Cb 0.60 0.75 -0.01 0.00 -1.06 0.00 0.00 38.32 38.61 2x9s h ASN 57 CO -0.50 -0.30 -0.10 0.00 -1.06 0.00 0.00 177.43 175.48 2x9s h ALA 58 N 0.88 -0.56 -0.25 -0.83 0.00 0.04 1.03 119.26 119.57 2x9s h ALA 58 Ca 0.24 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2x9s h ALA 58 Cb 0.55 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2x9s h ALA 58 CO -0.84 -0.59 -0.06 0.28 0.00 0.00 0.00 179.25 178.04 2x9s h VAL 59 N -0.12 1.19 0.05 0.00 2.07 -0.87 -1.31 116.25 117.26 2x9s h VAL 59 Ca 0.00 -0.77 -0.28 0.00 0.82 0.00 0.00 66.70 66.47 2x9s h VAL 59 Cb 0.13 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2x9s h VAL 59 CO -0.07 0.25 -1.48 -1.13 0.02 0.00 0.00 177.57 175.16 2x9s h ASN 60 N 0.37 0.18 0.00 0.57 -0.73 0.16 -3.28 115.58 112.85 2x9s h ASN 60 Ca 0.08 -0.27 0.00 0.00 1.87 0.00 0.00 56.30 57.98 2x9s h ASN 60 Cb 0.35 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.88 2x9s h ASN 60 CO 0.02 1.23 -0.43 0.59 -0.37 0.00 0.00 177.43 178.46 2x9s n ASN 61 N -3.30 1.28 -0.37 1.15 5.03 0.35 -4.68 115.26 114.72 2x9s n ASN 61 Ca -0.13 -0.42 0.04 0.00 0.87 0.00 0.00 54.58 54.94 2x9s n ASN 61 Cb 1.02 1.04 0.05 0.00 -1.02 0.00 0.00 39.78 40.87 2x9s n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2x9s n HIS 62 N -1.22 0.00 -1.39 3.10 8.25 -0.58 -5.03 115.22 118.35 2x9s n HIS 62 Ca 0.00 -0.37 -0.03 0.00 -0.26 0.00 0.00 57.72 57.06 2x9s n HIS 62 Cb 0.06 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.08 2x9s n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2x9s n ASP 63 N -0.50 -1.78 -0.00 0.41 5.75 -0.70 -4.88 116.55 114.86 2x9s n ASP 63 Ca 0.06 0.07 0.01 0.00 -0.01 0.00 0.00 54.79 54.92 2x9s n ASP 63 Cb 0.69 -0.45 -0.01 0.00 -1.03 0.00 0.00 41.12 40.32 2x9s n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2x9s n MET 64 N 0.52 2.89 -1.22 0.11 2.81 -1.18 -4.95 117.12 116.09 2x9s n MET 64 Ca -0.01 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2x9s n MET 64 Cb 0.16 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 2x9s n MET 64 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2x9s n LEU 65 N -1.33 -1.68 -0.25 4.03 4.32 -1.26 -4.73 117.00 116.10 2x9s n LEU 65 Ca -0.00 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.02 2x9s n LEU 65 Cb 0.04 -0.84 0.12 0.00 -1.62 0.00 0.00 43.42 41.12 2x9s n LEU 65 CO 0.04 0.00 0.77 -0.08 -1.22 0.00 0.00 177.39 176.89 2x9s h GLU 66 N 0.00 0.04 0.00 3.23 4.81 -1.96 0.08 114.58 120.79 2x9s h GLU 66 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2x9s h GLU 66 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2x9s h GLU 66 CO 0.00 0.03 0.22 -0.44 -0.73 0.00 0.00 179.01 178.09 2x9s h ASP 67 N 0.04 0.00 -0.23 1.04 3.32 -2.03 -1.66 116.42 116.90 2x9s h ASP 67 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2x9s h ASP 67 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2x9s h ASP 67 CO -0.71 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.35 2x9s n ARG 68 N -2.92 2.74 -3.15 3.56 1.74 0.01 -5.02 116.66 113.62 2x9s n ARG 68 Ca -0.02 -2.34 -0.36 0.00 -0.77 0.00 0.00 57.85 54.36 2x9s n ARG 68 Cb 0.27 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.18 2x9s n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2x9s s LEU 69 N -1.90 4.35 0.09 0.55 1.43 -0.63 0.21 118.68 122.79 2x9s s LEU 69 Ca 0.28 1.36 -0.18 0.00 -1.03 0.00 0.00 54.13 54.56 2x9s s LEU 69 Cb 0.21 -3.51 0.04 0.00 0.03 0.00 0.00 46.19 42.96 2x9s s LEU 69 CO 0.10 0.05 0.43 -0.72 0.23 0.00 0.00 176.35 176.44 2x9s s TYR 70 N -1.49 -0.27 -0.76 0.29 -0.85 -0.95 -1.84 117.35 111.48 2x9s s TYR 70 Ca 0.41 0.10 -0.26 0.00 -0.52 0.00 0.00 57.07 56.80 2x9s s TYR 70 Cb -0.17 0.27 0.01 0.00 0.38 0.00 0.00 41.96 42.45 2x9s s TYR 70 CO 0.21 -0.65 1.52 0.08 -1.52 0.00 0.00 175.55 175.18 2x9s s VAL 71 N -3.16 3.63 0.09 -3.49 1.01 0.10 -1.57 120.40 117.01 2x9s s VAL 71 Ca -0.01 0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.89 2x9s s VAL 71 Cb 0.01 -4.60 -0.09 0.00 0.00 0.00 0.00 36.38 31.70 2x9s s VAL 71 CO -0.07 -1.54 1.60 0.50 0.00 0.00 0.00 175.10 175.58 2x9s h LYS 72 N 11.43 0.33 -2.87 2.72 3.64 -1.54 -1.45 116.57 128.83 2x9s h LYS 72 Ca -0.17 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 2x9s h LYS 72 Cb 1.07 -0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.68 2x9s h LYS 72 CO 1.28 0.43 0.00 0.00 -2.27 0.00 0.00 179.45 178.89 2x9s s ALA 73 N -5.39 -1.24 -0.06 5.00 0.00 -0.22 -4.60 121.76 115.25 2x9s s ALA 73 Ca -0.14 0.49 -0.24 0.00 0.00 0.00 0.00 51.96 52.08 2x9s s ALA 73 Cb 0.07 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.65 2x9s s ALA 73 CO 0.72 -0.51 0.54 0.00 0.00 0.00 0.00 175.76 176.51 2x9s s ALA 74 N -2.57 -1.39 -0.22 0.00 0.00 -1.26 0.41 121.76 116.72 2x9s s ALA 74 Ca -0.05 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2x9s s ALA 74 Cb -0.01 -0.10 0.16 0.00 0.00 0.00 0.00 23.12 23.17 2x9s s ALA 74 CO -0.03 -0.32 1.16 1.52 0.00 0.00 0.00 175.76 178.09 2x9s s TYR 75 N -1.04 -0.23 -0.10 0.00 1.13 -0.33 -5.01 117.35 111.77 2x9s s TYR 75 Ca -0.10 0.41 0.03 0.00 -1.41 0.00 0.00 57.07 56.00 2x9s s TYR 75 Cb -0.02 0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 41.30 2x9s s TYR 75 CO 0.07 -0.20 -0.22 0.54 -2.51 0.00 0.00 175.55 173.23 2x9s s VAL 76 N -0.97 2.29 0.09 -3.49 0.11 -1.26 -1.34 120.40 115.83 2x9s s VAL 76 Ca 0.03 -0.95 0.05 0.00 -2.93 0.00 0.00 61.98 58.19 2x9s s VAL 76 Cb -0.01 -1.89 -0.04 0.00 -1.53 0.00 0.00 36.38 32.91 2x9s s VAL 76 CO -0.03 0.55 -0.03 -1.81 -3.33 0.00 0.00 175.10 170.45 2x9s s ASP 77 N 0.24 4.82 0.25 3.54 1.01 -0.98 -4.93 116.67 120.63 2x9s s ASP 77 Ca -0.14 -0.23 -0.30 0.00 0.71 0.00 0.00 52.55 52.59 2x9s s ASP 77 Cb -0.17 -1.09 -0.09 0.00 1.01 0.00 0.00 42.92 42.58 2x9s s ASP 77 CO 0.07 0.18 1.07 -0.70 0.21 0.00 0.00 175.17 176.01 2x9s s GLU 78 N -2.21 4.67 0.48 8.23 2.56 -1.26 -0.79 118.70 130.37 2x9s s GLU 78 Ca 0.24 1.73 0.06 0.00 0.00 0.00 0.00 54.97 56.99 2x9s s GLU 78 Cb -0.11 -3.23 -0.01 0.00 2.00 0.00 0.00 34.13 32.78 2x9s s GLU 78 CO 0.16 0.23 0.27 0.20 -0.56 0.00 0.00 175.26 175.57 2x9s s GLY 79 N -0.75 2.43 0.22 -1.50 0.00 0.28 -4.86 107.32 103.14 2x9s s GLY 79 Ca 0.45 -1.49 -0.32 0.00 0.00 0.00 0.00 44.72 43.36 2x9s s GLY 79 CO 0.38 -1.94 1.59 -1.55 0.00 0.00 0.00 173.10 171.58 2x9s n PRO 80 N -1.50 2.41 -3.28 2.90 -0.04 -1.26 -4.34 135.00 129.89 2x9s n PRO 80 Ca -0.03 0.86 -0.39 0.00 -0.04 0.00 0.00 63.50 63.91 2x9s n PRO 80 Cb 0.64 -2.64 -0.06 0.00 -0.04 0.00 0.00 33.50 31.41 2x9s n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x9s s ALA 81 N 0.61 3.56 -0.31 0.55 0.00 -1.26 -4.35 121.76 120.56 2x9s s ALA 81 Ca 0.73 -0.00 -0.27 0.00 0.00 0.00 0.00 51.96 52.42 2x9s s ALA 81 Cb -0.59 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 19.90 2x9s s ALA 81 CO 0.41 0.32 0.96 -0.51 0.00 0.00 0.00 175.76 176.93 2x9s s LEU 82 N -0.75 4.01 0.10 0.00 1.02 -0.44 -4.91 118.68 117.72 2x9s s LEU 82 Ca 0.29 0.92 -0.23 0.00 0.02 0.00 0.00 54.13 55.12 2x9s s LEU 82 Cb -0.19 -3.35 -0.07 0.00 0.02 0.00 0.00 46.19 42.60 2x9s s LEU 82 CO 0.17 -0.76 0.71 -0.54 0.02 0.00 0.00 176.35 175.96 2x9s s LYS 83 N 3.34 4.45 0.05 1.70 1.02 -1.26 -1.54 119.74 127.48 2x9s s LYS 83 Ca 0.40 1.01 0.02 0.00 0.02 0.00 0.00 55.97 57.41 2x9s s LYS 83 Cb -0.13 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 2x9s s LYS 83 CO 0.13 0.51 -0.06 1.03 -0.92 0.00 0.00 175.35 176.04 2x9s s ARG 84 N -0.82 0.55 -0.11 1.68 1.81 -0.11 -4.97 118.95 116.97 2x9s s ARG 84 Ca 0.34 -0.87 -0.16 0.00 -1.72 0.00 0.00 55.73 53.33 2x9s s ARG 84 Cb -0.21 -0.17 -0.05 0.00 -0.45 0.00 0.00 34.95 34.07 2x9s s ARG 84 CO 0.23 0.01 0.41 0.08 -0.68 0.00 0.00 175.30 175.35 2x9s s VAL 85 N -1.97 5.20 -0.20 3.52 1.01 -1.26 0.11 120.40 126.81 2x9s s VAL 85 Ca -0.06 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.73 2x9s s VAL 85 Cb -0.06 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2x9s s VAL 85 CO -0.01 0.38 -0.16 -0.22 0.00 0.00 0.00 175.10 175.09 2x9s s LEU 86 N 0.33 2.54 -0.02 3.92 2.96 0.18 -4.87 118.68 123.71 2x9s s LEU 86 Ca 0.23 -0.79 -0.26 0.00 -0.22 0.00 0.00 54.13 53.08 2x9s s LEU 86 Cb -0.15 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2x9s s LEU 86 CO 0.09 -0.05 0.82 -2.16 -1.32 0.00 0.00 176.35 173.73 2x9s s PRO 87 N 1.27 4.50 0.57 0.98 0.04 -1.26 0.13 135.00 141.23 2x9s s PRO 87 Ca 0.02 1.12 0.06 0.00 0.04 0.00 0.00 61.00 62.24 2x9s s PRO 87 Cb -0.15 -3.44 0.06 0.00 0.04 0.00 0.00 34.50 31.01 2x9s s PRO 87 CO -0.10 0.05 0.49 1.03 0.04 0.00 0.00 177.00 178.52 2x9s s ARG 88 N 0.76 2.24 0.67 4.56 1.81 -1.26 -4.82 118.95 122.89 2x9s s ARG 88 Ca 0.43 -2.00 -0.16 0.00 -1.72 0.00 0.00 55.73 52.28 2x9s s ARG 88 Cb -0.19 -2.19 0.00 0.00 -0.45 0.00 0.00 34.95 32.12 2x9s s ARG 88 CO 0.23 -0.73 1.18 0.00 -0.68 0.00 0.00 175.30 175.30 2x9s s ALA 89 N -2.79 2.35 -1.50 2.13 0.00 -1.26 -3.60 121.76 117.09 2x9s s ALA 89 Ca 0.38 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 2x9s s ALA 89 Cb -0.03 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2x9s s ALA 89 CO 0.24 -1.47 0.31 0.54 0.00 0.00 0.00 175.76 175.38 2x9s n ARG 90 N -2.27 -3.17 0.00 0.00 1.74 -1.26 -3.03 116.66 108.68 2x9s n ARG 90 Ca 0.13 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 2x9s n ARG 90 Cb 0.51 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.45 2x9s n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x9s n GLY 91 N -1.27 1.93 0.00 -0.13 0.00 -1.24 -4.93 105.19 99.55 2x9s n GLY 91 Ca -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2x9s n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9s n ARG 92 N 0.00 0.00 -2.43 1.61 1.74 -1.17 -4.50 116.66 111.91 2x9s n ARG 92 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 2x9s n ARG 92 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2x9s n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2x9s n ALA 93 N 0.00 -3.55 -2.15 7.54 0.00 -1.26 -4.85 120.51 116.24 2x9s n ALA 93 Ca 0.00 1.58 -0.21 0.00 0.00 0.00 0.00 53.44 54.81 2x9s n ALA 93 Cb 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 19.45 16.38 2x9s n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2x9s s ASP 94 N -0.79 5.13 -0.13 0.00 -0.00 0.36 -4.90 116.67 116.35 2x9s s ASP 94 Ca -0.17 -0.78 0.02 0.00 -0.00 0.00 0.00 52.55 51.61 2x9s s ASP 94 Cb 0.01 -0.19 0.01 0.00 -0.00 0.00 0.00 42.92 42.76 2x9s s ASP 94 CO 0.66 -0.94 -0.19 0.27 -0.00 0.00 0.00 175.17 174.97 2x9s s ILE 95 N -2.55 1.80 0.36 0.77 -4.36 -1.26 0.48 121.20 116.45 2x9s s ILE 95 Ca 0.51 -0.82 -0.07 0.00 -0.26 0.00 0.00 60.65 60.01 2x9s s ILE 95 Cb -0.05 -1.62 -0.05 0.00 1.25 0.00 0.00 42.46 41.98 2x9s s ILE 95 CO 0.31 0.50 0.67 -0.63 0.24 0.00 0.00 174.94 176.03 2x9s s ILE 96 N 0.97 4.92 -0.33 8.37 1.01 0.31 -4.87 121.20 131.58 2x9s s ILE 96 Ca -0.05 0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2x9s s ILE 96 Cb -0.15 -3.76 0.10 0.00 0.01 0.00 0.00 42.46 38.66 2x9s s ILE 96 CO -0.03 -0.49 0.07 -0.54 0.00 0.00 0.00 174.94 173.95 2x9s s LYS 97 N -3.88 1.14 -0.49 2.79 1.02 -1.26 -0.94 119.74 118.11 2x9s s LYS 97 Ca 0.47 -1.51 -0.29 0.00 0.02 0.00 0.00 55.97 54.66 2x9s s LYS 97 Cb -0.10 -2.66 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 2x9s s LYS 97 CO 0.33 -0.96 1.28 0.15 -0.92 0.00 0.00 175.35 175.23 2x9s s LYS 98 N 1.22 3.56 0.83 1.68 -0.14 -0.59 -4.91 119.74 121.40 2x9s s LYS 98 Ca 0.10 0.59 -0.12 0.00 -1.36 0.00 0.00 55.97 55.18 2x9s s LYS 98 Cb -0.18 -4.00 0.11 0.00 -1.68 0.00 0.00 37.83 32.07 2x9s s LYS 98 CO -0.16 -1.60 1.20 1.03 -0.76 0.00 0.00 175.35 175.06 2x9s s ARG 99 N 4.89 1.68 0.02 1.68 0.52 -1.26 -1.32 118.95 125.16 2x9s s ARG 99 Ca 0.52 -0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.69 2x9s s ARG 99 Cb -0.10 -1.95 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 2x9s s ARG 99 CO 0.30 -1.75 -0.04 -0.08 0.02 0.00 0.00 175.30 173.75 2x9s s THR 100 N -3.62 0.20 0.35 0.02 -1.32 -1.26 -3.50 115.64 106.51 2x9s s THR 100 Ca 0.65 -0.74 0.09 0.00 -1.21 0.00 0.00 61.69 60.47 2x9s s THR 100 Cb -0.09 -0.29 -0.05 0.00 -1.51 0.00 0.00 72.50 70.55 2x9s s THR 100 CO 0.50 -0.35 0.05 -0.44 -2.21 0.00 0.00 174.62 172.17 2x9s s SER 101 N -1.14 4.28 -0.49 8.08 0.01 -1.20 -0.55 113.70 122.69 2x9s s SER 101 Ca -0.11 -0.98 0.03 0.00 1.31 0.00 0.00 55.95 56.21 2x9s s SER 101 Cb -0.08 -0.55 0.16 0.00 0.21 0.00 0.00 66.02 65.76 2x9s s SER 101 CO -0.00 -0.29 0.35 -1.00 0.41 0.00 0.00 173.24 172.70 2x9s s HIS 102 N -2.52 1.96 -0.24 2.43 3.76 0.03 -0.42 115.29 120.29 2x9s s HIS 102 Ca 0.36 -2.58 -0.29 0.00 -0.15 0.00 0.00 55.06 52.40 2x9s s HIS 102 Cb 0.00 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 2x9s s HIS 102 CO 0.20 -0.74 1.40 0.42 -0.85 0.00 0.00 174.74 175.17 2x9s s ILE 103 N -0.20 4.02 -0.13 0.60 1.01 -0.83 -2.31 121.20 123.36 2x9s s ILE 103 Ca 0.26 1.17 0.01 0.00 0.00 0.00 0.00 60.65 62.09 2x9s s ILE 103 Cb -0.08 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 2x9s s ILE 103 CO -0.12 -0.33 -0.16 -0.89 0.00 0.00 0.00 174.94 173.44 2x9s s THR 104 N 4.39 2.72 -0.07 2.92 2.01 -0.45 0.60 115.64 127.76 2x9s s THR 104 Ca 0.61 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2x9s s THR 104 Cb -0.21 -2.13 0.02 0.00 0.01 0.00 0.00 72.50 70.19 2x9s s THR 104 CO 0.23 0.53 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.92 2x9s s VAL 105 N 0.54 0.89 -0.15 3.82 1.01 -1.26 -1.18 120.40 124.06 2x9s s VAL 105 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2x9s s VAL 105 Cb -0.16 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.37 2x9s s VAL 105 CO 0.04 0.32 -0.14 0.27 0.00 0.00 0.00 175.10 175.59 2x9s s ILE 106 N 1.09 1.57 0.28 2.22 -4.36 0.17 -2.19 121.20 119.98 2x9s s ILE 106 Ca -0.07 -0.66 -0.07 0.00 -0.26 0.00 0.00 60.65 59.60 2x9s s ILE 106 Cb -0.14 -1.49 -0.06 0.00 1.25 0.00 0.00 42.46 42.02 2x9s s ILE 106 CO -0.01 0.43 0.57 -0.76 0.24 0.00 0.00 174.94 175.42 2x9s s LEU 107 N 1.48 4.06 0.26 0.37 1.02 0.14 -1.06 118.68 124.96 2x9s s LEU 107 Ca 0.05 0.80 0.02 0.00 0.02 0.00 0.00 54.13 55.02 2x9s s LEU 107 Cb -0.13 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.43 2x9s s LEU 107 CO -0.11 -0.18 0.17 -0.83 0.02 0.00 0.00 176.35 175.42 2x9s s GLY 108 N -2.97 1.81 -0.30 -3.19 0.00 -0.61 -1.20 107.32 100.85 2x9s s GLY 108 Ca 0.45 -1.81 -0.13 0.00 0.00 0.00 0.00 44.72 43.23 2x9s s GLY 108 CO 0.28 -1.47 0.26 -0.54 0.00 0.00 0.00 173.10 171.63 2x9s s GLU 109 N -3.91 3.80 0.79 2.90 2.02 -1.25 -2.24 118.70 120.81 2x9s s GLU 109 Ca 0.39 -0.34 -0.11 0.00 0.02 0.00 0.00 54.97 54.93 2x9s s GLU 109 Cb 0.06 -3.71 0.07 0.00 0.10 0.00 0.00 34.13 30.64 2x9s s GLU 109 CO 0.17 -0.31 1.11 0.21 0.02 0.00 0.00 175.26 176.45 2x9s s LYS 110 N 1.85 2.09 0.00 1.61 2.47 0.13 -4.93 119.74 122.96 2x9s s LYS 110 Ca 0.09 1.28 0.00 0.00 -1.56 0.00 0.00 55.97 55.78 2x9s s LYS 110 Cb -0.16 -1.87 0.00 0.00 -1.46 0.00 0.00 37.83 34.34 2x9s s LYS 110 CO 0.11 -1.79 0.00 -2.39 0.16 0.00 0.00 175.35 171.44 2x9s n HIS 111 N -3.52 0.00 0.00 4.03 1.44 -1.26 -4.98 115.22 110.93 2x9s n HIS 111 Ca 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 2x9s n HIS 111 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 2x9s n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2x9s n GLY 112 N 0.00 -1.75 0.00 -1.39 0.00 -1.26 -5.20 105.19 95.60 2x9s n GLY 112 Ca 0.00 0.69 0.02 0.00 0.00 0.00 0.00 46.02 46.73 2x9s n GLY 112 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90