#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d4r s GLU 3 N 0.00 1.55 0.13 0.54 8.01 -1.26 -1.33 118.70 126.33 2d4r s GLU 3 Ca 0.00 -0.59 0.09 0.00 0.01 0.00 0.00 54.97 54.48 2d4r s GLU 3 Cb 0.00 -1.41 -0.04 0.00 -4.31 0.00 0.00 34.13 28.37 2d4r s GLU 3 CO 0.00 0.29 -0.22 0.08 0.01 0.00 0.00 175.26 175.43 2d4r s VAL 4 N -0.16 1.90 -0.06 2.63 1.01 0.83 -4.99 120.40 121.56 2d4r s VAL 4 Ca 0.01 -1.70 -0.04 0.00 0.00 0.00 0.00 61.98 60.25 2d4r s VAL 4 Cb -0.09 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.57 2d4r s VAL 4 CO 0.01 -0.08 0.14 -0.60 0.00 0.00 0.00 175.10 174.57 2d4r s ARG 5 N -2.18 0.13 0.07 2.72 3.52 -1.26 -0.42 118.95 121.53 2d4r s ARG 5 Ca 0.11 0.28 0.09 0.00 -0.13 0.00 0.00 55.73 56.07 2d4r s ARG 5 Cb -0.09 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.23 2d4r s ARG 5 CO 0.06 -0.08 -0.22 0.00 -0.81 0.00 0.00 175.30 174.24 2d4r s ALA 6 N 0.57 2.46 -0.03 6.12 0.00 -0.19 -4.99 121.76 125.70 2d4r s ALA 6 Ca -0.04 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.66 2d4r s ALA 6 Cb -0.06 -0.58 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 2d4r s ALA 6 CO -0.03 0.56 -0.12 -2.00 0.00 0.00 0.00 175.76 174.17 2d4r s GLU 7 N -1.58 1.16 -0.18 0.00 2.12 -1.26 -0.80 118.70 118.17 2d4r s GLU 7 Ca 0.14 -0.41 -0.11 0.00 0.36 0.00 0.00 54.97 54.95 2d4r s GLU 7 Cb -0.10 -1.07 0.06 0.00 0.26 0.00 0.00 34.13 33.28 2d4r s GLU 7 CO 0.05 0.18 0.43 0.50 -0.54 0.00 0.00 175.26 175.89 2d4r s ARG 8 N 0.03 0.44 -0.05 4.30 6.06 -0.42 -4.99 118.95 124.32 2d4r s ARG 8 Ca -0.01 0.78 -0.22 0.00 -2.50 0.00 0.00 55.73 53.78 2d4r s ARG 8 Cb -0.08 0.04 -0.04 0.00 0.06 0.00 0.00 34.95 34.93 2d4r s ARG 8 CO 0.01 -0.14 0.63 -0.47 -2.50 0.00 0.00 175.30 172.83 2d4r s TYR 9 N 1.17 3.61 -0.10 5.12 5.04 -1.26 -0.53 117.35 130.39 2d4r s TYR 9 Ca -0.08 1.19 0.02 0.00 -2.44 0.00 0.00 57.07 55.76 2d4r s TYR 9 Cb -0.07 -2.70 0.01 0.00 0.35 0.00 0.00 41.96 39.55 2d4r s TYR 9 CO -0.10 0.20 -0.15 0.42 -1.34 0.00 0.00 175.55 174.58 2d4r s ILE 10 N 0.37 1.47 -1.17 3.14 1.01 0.91 -4.99 121.20 121.94 2d4r s ILE 10 Ca 0.34 -0.63 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 2d4r s ILE 10 Cb -0.18 -1.34 -0.07 0.00 0.01 0.00 0.00 42.46 40.88 2d4r s ILE 10 CO 0.17 0.43 1.91 -0.81 0.00 0.00 0.00 174.94 176.64 2d4r n PRO 11 N 4.14 1.85 -3.61 2.79 -0.04 -1.26 -1.11 135.00 137.75 2d4r n PRO 11 Ca -0.19 -2.53 -0.05 0.00 -0.04 0.00 0.00 63.50 60.68 2d4r n PRO 11 Cb 0.51 -3.61 -0.04 0.00 -0.04 0.00 0.00 33.50 30.32 2d4r n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d4r s ALA 12 N 9.37 -2.06 0.42 0.55 0.00 -1.26 -4.99 121.76 123.79 2d4r s ALA 12 Ca 0.65 1.73 -0.26 0.00 0.00 0.00 0.00 51.96 54.08 2d4r s ALA 12 Cb 0.02 -0.92 -0.09 0.00 0.00 0.00 0.00 23.12 22.12 2d4r s ALA 12 CO 0.12 -0.35 1.47 -2.14 0.00 0.00 0.00 175.76 174.86 2d4r s PRO 13 N -1.42 3.85 0.32 0.00 0.02 -1.26 -2.38 135.00 134.13 2d4r s PRO 13 Ca 0.06 2.52 0.10 0.00 0.02 0.00 0.00 61.00 63.70 2d4r s PRO 13 Cb -0.01 -2.79 0.93 0.00 0.02 0.00 0.00 34.50 32.65 2d4r s PRO 13 CO -0.04 -0.72 1.68 -1.35 -0.33 0.00 0.00 177.00 176.24 2d4r h PRO 14 N 2.60 0.38 -0.61 5.54 0.11 -1.88 0.98 132.00 139.12 2d4r h PRO 14 Ca -0.51 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 2d4r h PRO 14 Cb 1.26 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2d4r h PRO 14 CO 0.62 0.25 0.22 1.05 -0.21 0.00 0.00 178.00 179.94 2d4r h GLU 15 N 0.39 0.91 -0.06 1.05 9.09 -1.94 0.27 114.58 124.29 2d4r h GLU 15 Ca 0.66 -0.16 -0.04 0.00 0.05 0.00 0.00 59.36 59.87 2d4r h GLU 15 Cb 1.38 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 2d4r h GLU 15 CO -0.57 0.76 -0.12 -0.09 0.05 0.00 0.00 179.01 179.04 2d4r h ARG 16 N 0.89 0.19 -0.45 1.06 2.43 -1.21 -1.76 114.38 115.53 2d4r h ARG 16 Ca 0.21 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2d4r h ARG 16 Cb 0.21 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2d4r h ARG 16 CO -0.01 0.71 0.24 0.28 -1.51 0.00 0.00 179.97 179.67 2d4r h VAL 17 N -0.30 1.17 -0.42 0.20 2.07 -1.08 -2.07 116.25 115.82 2d4r h VAL 17 Ca 0.00 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.15 2d4r h VAL 17 Cb 0.71 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 2d4r h VAL 17 CO 0.03 0.18 0.05 0.22 0.02 0.00 0.00 177.57 178.06 2d4r h TYR 18 N 0.58 0.07 -0.34 1.57 5.03 -0.48 -1.80 116.97 121.60 2d4r h TYR 18 Ca 0.16 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.38 2d4r h TYR 18 Cb 0.07 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 2d4r h TYR 18 CO -0.02 -0.03 -0.24 -0.09 -1.32 0.00 0.00 178.16 176.46 2d4r h ARG 19 N 0.17 0.67 0.00 1.82 2.43 -0.97 -2.28 114.38 116.22 2d4r h ARG 19 Ca 0.21 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 2d4r h ARG 19 Cb 0.28 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2d4r h ARG 19 CO -0.30 0.85 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.64 2d4r h LEU 20 N 0.59 0.00 -0.16 3.80 3.38 -1.11 -2.73 115.31 119.07 2d4r h LEU 20 Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2d4r h LEU 20 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2d4r h LEU 20 CO 0.06 0.30 -0.41 0.00 0.09 0.00 0.00 178.44 178.47 2d4r h ALA 21 N 1.70 0.76 -0.02 1.53 0.00 -0.92 -3.27 119.26 119.04 2d4r h ALA 21 Ca -0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 2d4r h ALA 21 Cb 1.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2d4r h ALA 21 CO 0.04 0.51 -0.82 -0.22 0.00 0.00 0.00 179.25 178.77 2d4r h LYS 22 N 0.00 0.27 -5.11 0.00 3.64 -1.13 -3.33 116.57 110.91 2d4r h LYS 22 Ca -0.00 -0.26 -0.64 0.00 -1.27 0.00 0.00 60.65 58.48 2d4r h LYS 22 Cb 1.25 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 2d4r h LYS 22 CO 0.05 0.95 2.34 -3.47 -2.27 0.00 0.00 179.45 177.05 2d4r n ASP 23 N -3.74 4.12 -0.30 4.20 2.03 -1.09 -4.79 116.55 116.98 2d4r n ASP 23 Ca -0.04 -2.84 0.05 0.00 0.52 0.00 0.00 54.79 52.48 2d4r n ASP 23 Cb 0.76 -1.66 0.26 0.00 -0.72 0.00 0.00 41.12 39.76 2d4r n ASP 23 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2d4r h LEU 24 N 12.66 0.87 -0.68 -2.67 3.38 -1.82 -1.37 115.31 125.67 2d4r h LEU 24 Ca 0.45 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.30 2d4r h LEU 24 Cb 0.79 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2d4r h LEU 24 CO 1.61 0.54 -0.40 -0.33 0.09 0.00 0.00 178.44 179.95 2d4r h GLU 25 N 0.98 0.56 0.00 1.13 5.08 -1.86 0.17 114.58 120.63 2d4r h GLU 25 Ca 0.40 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2d4r h GLU 25 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2d4r h GLU 25 CO -0.16 0.87 -0.26 0.78 -1.00 0.00 0.00 179.01 179.24 2d4r h GLY 26 N 1.05 0.00 1.85 -3.84 0.00 -1.68 -2.94 103.07 97.51 2d4r h GLY 26 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.14 2d4r h GLY 26 CO 0.08 0.00 -1.10 -2.00 0.00 0.00 0.00 176.54 173.52 2d4r h LEU 27 N 0.00 0.14 -0.98 3.11 6.46 -0.44 -3.39 115.31 120.21 2d4r h LEU 27 Ca -0.00 -0.15 0.18 0.00 -0.12 0.00 0.00 57.88 57.79 2d4r h LEU 27 Cb 0.65 -0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 40.43 2d4r h LEU 27 CO 0.03 1.12 0.57 0.50 -0.62 0.00 0.00 178.44 180.04 2d4r h LYS 28 N 0.02 0.71 0.00 1.25 3.64 -0.80 -1.14 116.57 120.25 2d4r h LYS 28 Ca -0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2d4r h LYS 28 Cb 1.84 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 2d4r h LYS 28 CO 0.15 0.47 0.00 -0.35 -2.27 0.00 0.00 179.45 177.45 2d4r n PRO 29 N -4.80 0.17 -0.06 1.90 -0.04 -1.26 -1.81 135.00 129.10 2d4r n PRO 29 Ca 0.22 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.33 2d4r n PRO 29 Cb 0.55 -1.94 0.13 0.00 -0.04 0.00 0.00 33.50 32.21 2d4r n PRO 29 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2d4r n TYR 30 N -2.28 0.17 -3.16 0.54 4.02 -0.43 -4.77 117.16 111.24 2d4r n TYR 30 Ca 0.00 -0.09 -0.45 0.00 -0.01 0.00 0.00 57.90 57.35 2d4r n TYR 30 Cb 0.13 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.41 2d4r n TYR 30 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2d4r s LEU 31 N -1.68 5.66 0.49 7.72 1.02 -0.75 -4.17 118.68 126.97 2d4r s LEU 31 Ca 0.30 -1.68 0.28 0.00 0.02 0.00 0.00 54.13 53.04 2d4r s LEU 31 Cb 0.19 -2.28 1.16 0.00 0.02 0.00 0.00 46.19 45.28 2d4r s LEU 31 CO 0.28 -1.01 1.92 0.11 0.02 0.00 0.00 176.35 177.67 2d4r h LYS 32 N 8.95 0.00 -0.01 1.70 1.79 -1.85 -2.74 116.57 124.41 2d4r h LYS 32 Ca -0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 2d4r h LYS 32 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2d4r h LYS 32 CO 1.05 0.13 -0.49 0.39 -1.08 0.00 0.00 179.45 179.45 2d4r n GLU 33 N -3.30 0.84 -3.56 3.15 1.02 -1.26 -4.82 120.64 112.70 2d4r n GLU 33 Ca 0.00 -0.63 -0.37 0.00 -0.02 0.00 0.00 57.16 56.14 2d4r n GLU 33 Cb 0.36 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.20 2d4r n GLU 33 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2d4r s VAL 34 N -2.60 5.30 -0.09 2.62 1.01 -1.03 -0.82 120.40 124.80 2d4r s VAL 34 Ca 0.18 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.54 2d4r s VAL 34 Cb 0.18 -3.58 -0.25 0.00 0.00 0.00 0.00 36.38 32.73 2d4r s VAL 34 CO 0.61 0.31 0.50 -0.62 0.00 0.00 0.00 175.10 175.90 2d4r n GLU 35 N 4.38 0.71 -3.74 2.72 1.02 0.72 -4.90 120.64 121.55 2d4r n GLU 35 Ca -0.13 0.28 -0.12 0.00 -0.02 0.00 0.00 57.16 57.17 2d4r n GLU 35 Cb 0.52 -1.75 -0.12 0.00 -0.02 0.00 0.00 31.44 30.07 2d4r n GLU 35 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2d4r s SER 36 N -6.63 -0.33 -0.14 1.62 1.04 -1.03 -5.00 113.70 103.22 2d4r s SER 36 Ca -0.15 0.63 -0.04 0.00 0.48 0.00 0.00 55.95 56.87 2d4r s SER 36 Cb 0.07 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.80 2d4r s SER 36 CO 0.79 -0.15 0.08 -0.22 0.98 0.00 0.00 173.24 174.72 2d4r s LEU 37 N 0.89 0.39 -0.13 2.42 0.20 -1.26 -0.58 118.68 120.61 2d4r s LEU 37 Ca -0.06 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.32 2d4r s LEU 37 Cb -0.07 -0.26 0.01 0.00 -0.43 0.00 0.00 46.19 45.44 2d4r s LEU 37 CO -0.06 -0.32 -0.20 -0.70 -0.29 0.00 0.00 176.35 174.78 2d4r s GLU 38 N 2.11 2.79 -0.38 1.98 2.12 -0.83 -4.76 118.70 121.73 2d4r s GLU 38 Ca 0.02 -0.77 -0.29 0.00 0.36 0.00 0.00 54.97 54.30 2d4r s GLU 38 Cb -0.15 -2.27 0.02 0.00 0.26 0.00 0.00 34.13 31.98 2d4r s GLU 38 CO -0.08 -0.03 1.21 0.08 -0.54 0.00 0.00 175.26 175.91 2d4r s VAL 39 N 0.86 4.22 -0.56 3.70 1.01 -1.26 -0.37 120.40 128.00 2d4r s VAL 39 Ca -0.07 1.33 0.24 0.00 0.00 0.00 0.00 61.98 63.48 2d4r s VAL 39 Cb -0.15 -4.37 0.04 0.00 0.00 0.00 0.00 36.38 31.89 2d4r s VAL 39 CO -0.02 -0.69 1.26 0.58 0.00 0.00 0.00 175.10 176.24 2d4r h VAL 40 N 6.06 0.00 -2.29 2.92 2.07 -0.81 -3.48 116.25 120.72 2d4r h VAL 40 Ca -0.24 -0.60 0.10 0.00 0.82 0.00 0.00 66.70 66.79 2d4r h VAL 40 Cb 1.08 1.16 -0.15 0.00 -1.52 0.00 0.00 31.29 31.86 2d4r h VAL 40 CO 1.07 0.00 0.48 0.00 0.02 0.00 0.00 177.57 179.14 2d4r s ALA 41 N -3.21 -1.82 -0.18 1.67 0.00 -1.08 -4.97 121.76 112.19 2d4r s ALA 41 Ca 0.05 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.94 2d4r s ALA 41 Cb 0.12 0.41 0.08 0.00 0.00 0.00 0.00 23.12 23.73 2d4r s ALA 41 CO 0.74 -0.68 0.38 0.50 0.00 0.00 0.00 175.76 176.70 2d4r s ARG 42 N -3.09 0.31 -0.34 0.00 3.52 -1.26 -2.26 118.95 115.83 2d4r s ARG 42 Ca 0.05 0.90 -0.01 0.00 -0.13 0.00 0.00 55.73 56.54 2d4r s ARG 42 Cb -0.01 0.16 0.12 0.00 -1.56 0.00 0.00 34.95 33.66 2d4r s ARG 42 CO -0.09 -0.23 0.18 -1.21 -0.81 0.00 0.00 175.30 173.14 2d4r s GLU 43 N 2.21 0.58 7.71 5.12 0.41 0.29 -5.01 118.70 130.00 2d4r s GLU 43 Ca -0.04 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.36 2d4r s GLU 43 Cb -0.11 -1.51 0.00 0.00 -1.78 0.00 0.00 34.13 30.73 2d4r s GLU 43 CO -0.12 -1.12 0.00 0.41 -0.49 0.00 0.00 175.26 173.94 2d4r n GLY 44 N 4.42 3.94 1.36 -1.39 0.00 -1.26 -2.72 105.19 109.55 2d4r n GLY 44 Ca 0.04 0.19 0.03 0.00 0.00 0.00 0.00 46.02 46.29 2d4r n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d4r n ALA 45 N 12.51 3.39 -2.96 4.61 0.00 -1.26 -4.90 120.51 131.91 2d4r n ALA 45 Ca 0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 53.44 52.15 2d4r n ALA 45 Cb 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 2d4r n ALA 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2d4r s ARG 46 N -2.06 0.83 0.07 0.00 1.70 -1.10 -0.82 118.95 117.57 2d4r s ARG 46 Ca 0.33 -0.56 0.04 0.00 -0.47 0.00 0.00 55.73 55.06 2d4r s ARG 46 Cb 0.25 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.96 2d4r s ARG 46 CO 0.09 -0.27 -0.10 0.99 -1.08 0.00 0.00 175.30 174.93 2d4r s THR 47 N -2.76 0.85 -0.04 4.99 2.01 -0.36 -0.55 115.64 119.78 2d4r s THR 47 Ca -0.04 -1.40 0.07 0.00 0.31 0.00 0.00 61.69 60.63 2d4r s THR 47 Cb -0.00 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 2d4r s THR 47 CO -0.05 -0.44 -0.25 -0.13 -0.69 0.00 0.00 174.62 173.07 2d4r s ARG 48 N -2.21 2.22 0.02 4.92 0.52 -0.96 -1.31 118.95 122.15 2d4r s ARG 48 Ca -0.01 -0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 54.28 2d4r s ARG 48 Cb -0.06 -2.02 -0.01 0.00 0.52 0.00 0.00 34.95 33.38 2d4r s ARG 48 CO 0.00 0.46 0.05 -1.54 0.02 0.00 0.00 175.30 174.29 2d4r s SER 49 N -0.39 0.16 -0.27 0.23 1.04 0.65 -0.04 113.70 115.08 2d4r s SER 49 Ca 0.04 -0.42 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 2d4r s SER 49 Cb -0.11 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.19 2d4r s SER 49 CO 0.01 -0.37 0.01 -0.60 0.98 0.00 0.00 173.24 173.27 2d4r s ARG 50 N -1.70 2.93 -0.06 4.02 3.52 0.51 0.05 118.95 128.22 2d4r s ARG 50 Ca -0.13 -0.94 -0.03 0.00 -0.13 0.00 0.00 55.73 54.51 2d4r s ARG 50 Cb -0.07 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 2d4r s ARG 50 CO -0.01 -0.43 0.07 -1.58 -0.81 0.00 0.00 175.30 172.54 2d4r s TRP 51 N 1.40 3.33 -0.15 5.12 0.52 0.41 -1.96 118.94 127.62 2d4r s TRP 51 Ca 0.01 0.29 -0.01 0.00 0.02 0.00 0.00 56.10 56.41 2d4r s TRP 51 Cb -0.17 -1.81 0.04 0.00 -1.15 0.00 0.00 33.47 30.38 2d4r s TRP 51 CO -0.01 0.57 -0.05 0.08 0.02 0.00 0.00 176.95 177.57 2d4r s VAL 52 N -1.04 1.00 0.21 4.03 1.01 0.25 -1.55 120.40 124.32 2d4r s VAL 52 Ca 0.17 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.75 2d4r s VAL 52 Cb -0.12 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2d4r s VAL 52 CO 0.07 0.17 -0.11 0.00 0.00 0.00 0.00 175.10 175.23 2d4r s ALA 53 N 1.69 2.90 -0.13 5.51 0.00 -0.21 -0.20 121.76 131.32 2d4r s ALA 53 Ca 0.02 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2d4r s ALA 53 Cb -0.15 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 2d4r s ALA 53 CO -0.08 0.41 -0.14 0.08 0.00 0.00 0.00 175.76 176.03 2d4r s VAL 54 N -1.89 2.93 -0.35 0.00 1.01 0.00 -0.72 120.40 121.38 2d4r s VAL 54 Ca 0.26 -0.71 0.14 0.00 0.00 0.00 0.00 61.98 61.67 2d4r s VAL 54 Cb -0.08 -2.22 0.45 0.00 0.00 0.00 0.00 36.38 34.53 2d4r s VAL 54 CO 0.15 0.53 1.01 0.00 0.00 0.00 0.00 175.10 176.79 2d4r n ALA 55 N 3.51 3.92 0.00 5.51 0.00 -1.26 -4.87 120.51 127.32 2d4r n ALA 55 Ca -0.18 -3.50 0.00 0.00 0.00 0.00 0.00 53.44 49.76 2d4r n ALA 55 Cb 0.53 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2d4r n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d4r n GLY 57 N -0.22 0.00 3.87 0.00 0.00 -1.26 -4.72 105.19 102.86 2d4r n GLY 57 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2d4r n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d4r s LYS 58 N -1.36 3.16 0.03 1.61 2.47 -1.26 -5.11 119.74 119.28 2d4r s LYS 58 Ca 0.00 -0.77 -0.06 0.00 -1.56 0.00 0.00 55.97 53.58 2d4r s LYS 58 Cb 0.00 -2.78 -0.05 0.00 -1.46 0.00 0.00 37.83 33.54 2d4r s LYS 58 CO 0.00 0.49 0.28 -1.59 0.16 0.00 0.00 175.35 174.68 2d4r s LYS 59 N -3.29 3.57 -0.10 4.03 0.00 -1.26 -4.63 119.74 118.07 2d4r s LYS 59 Ca 0.33 -0.11 0.02 0.00 0.00 0.00 0.00 55.97 56.21 2d4r s LYS 59 Cb -0.10 -3.05 -0.01 0.00 0.00 0.00 0.00 37.83 34.67 2d4r s LYS 59 CO 0.26 0.62 -0.17 0.14 0.00 0.00 0.00 175.35 176.20 2d4r s VAL 60 N -1.36 2.76 -0.05 1.79 -7.23 0.10 -4.98 120.40 111.43 2d4r s VAL 60 Ca 0.30 -0.79 0.06 0.00 -1.81 0.00 0.00 61.98 59.74 2d4r s VAL 60 Cb -0.13 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 2d4r s VAL 60 CO 0.18 0.55 -0.22 -0.13 -0.31 0.00 0.00 175.10 175.18 2d4r s ARG 61 N 0.02 2.17 0.08 4.82 0.52 -1.26 -1.05 118.95 124.26 2d4r s ARG 61 Ca -0.06 -0.78 -0.16 0.00 -0.52 0.00 0.00 55.73 54.21 2d4r s ARG 61 Cb -0.15 -1.88 0.03 0.00 0.52 0.00 0.00 34.95 33.47 2d4r s ARG 61 CO 0.05 0.34 0.38 1.67 0.02 0.00 0.00 175.30 177.75 2d4r s TRP 62 N -0.13 -0.19 -0.01 -0.53 -2.14 -0.59 -0.25 118.94 115.10 2d4r s TRP 62 Ca -0.02 -0.01 -0.08 0.00 2.66 0.00 0.00 56.10 58.65 2d4r s TRP 62 Cb -0.12 0.20 -0.05 0.00 -3.10 0.00 0.00 33.47 30.40 2d4r s TRP 62 CO 0.03 -0.61 0.28 -0.51 -2.66 0.00 0.00 176.95 173.48 2d4r s LEU 63 N -2.40 4.39 -0.02 -4.66 1.02 -0.42 -0.44 118.68 116.15 2d4r s LEU 63 Ca -0.01 0.63 0.01 0.00 0.02 0.00 0.00 54.13 54.79 2d4r s LEU 63 Cb 0.01 -2.59 0.01 0.00 0.02 0.00 0.00 46.19 43.64 2d4r s LEU 63 CO -0.07 0.28 -0.05 -0.70 0.02 0.00 0.00 176.35 175.83 2d4r s GLU 64 N -1.54 0.55 -0.20 1.70 2.12 0.11 -3.84 118.70 117.60 2d4r s GLU 64 Ca 0.25 -0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.39 2d4r s GLU 64 Cb -0.14 -0.57 -0.02 0.00 0.26 0.00 0.00 34.13 33.67 2d4r s GLU 64 CO 0.14 0.04 -0.02 -2.00 -0.54 0.00 0.00 175.26 172.88 2d4r s GLU 65 N 0.27 3.55 -0.08 4.30 -6.30 0.51 -0.25 118.70 120.70 2d4r s GLU 65 Ca -0.03 -0.56 0.03 0.00 -2.50 0.00 0.00 54.97 51.91 2d4r s GLU 65 Cb -0.07 -3.04 -0.02 0.00 0.00 0.00 0.00 34.13 31.01 2d4r s GLU 65 CO -0.00 -0.03 -0.16 -1.83 0.02 0.00 0.00 175.26 173.26 2d4r s GLU 66 N 1.08 2.80 -0.22 4.30 1.03 -0.43 -1.07 118.70 126.18 2d4r s GLU 66 Ca 0.02 -0.74 -0.06 0.00 0.03 0.00 0.00 54.97 54.21 2d4r s GLU 66 Cb -0.14 -2.41 -0.03 0.00 -0.80 0.00 0.00 34.13 30.75 2d4r s GLU 66 CO 0.01 0.44 0.04 -1.21 -1.33 0.00 0.00 175.26 173.21 2d4r s GLU 67 N -0.25 3.69 -0.22 -4.83 2.02 0.32 -1.23 118.70 118.19 2d4r s GLU 67 Ca 0.01 -0.47 -0.09 0.00 0.02 0.00 0.00 54.97 54.44 2d4r s GLU 67 Cb -0.13 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 2d4r s GLU 67 CO 0.03 -0.04 0.11 -1.58 0.02 0.00 0.00 175.26 173.80 2d4r s TRP 68 N 1.19 3.25 -0.85 1.61 0.52 -0.00 -0.71 118.94 123.94 2d4r s TRP 68 Ca 0.04 0.05 -0.09 0.00 0.02 0.00 0.00 56.10 56.12 2d4r s TRP 68 Cb -0.14 -2.20 0.22 0.00 -1.15 0.00 0.00 33.47 30.19 2d4r s TRP 68 CO 0.03 0.01 0.77 0.34 0.02 0.00 0.00 176.95 178.12 2d4r s ASP 69 N 0.94 6.45 0.32 2.95 3.68 0.70 -4.80 116.67 126.92 2d4r s ASP 69 Ca 0.06 -3.04 0.01 0.00 2.13 0.00 0.00 52.55 51.71 2d4r s ASP 69 Cb -0.13 -2.10 0.57 0.00 -1.45 0.00 0.00 42.92 39.81 2d4r s ASP 69 CO 0.03 -0.42 1.96 0.44 0.13 0.00 0.00 175.17 177.31 2d4r h ASP 70 N 7.17 0.83 -0.13 -0.34 3.45 -1.95 0.07 116.42 125.52 2d4r h ASP 70 Ca 0.10 -0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.56 2d4r h ASP 70 Cb 0.96 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.53 2d4r h ASP 70 CO 0.81 0.57 0.07 -0.08 -1.57 0.00 0.00 179.24 179.03 2d4r h GLU 71 N 0.96 0.15 -0.43 3.56 4.22 -1.94 -3.23 114.58 117.87 2d4r h GLU 71 Ca 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.75 2d4r h GLU 71 Cb 0.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2d4r h GLU 71 CO -0.09 0.10 0.00 0.09 -2.18 0.00 0.00 179.01 176.92 2d4r n ASN 72 N -5.02 3.17 -3.54 1.04 3.02 -1.04 -4.99 115.26 107.90 2d4r n ASN 72 Ca -0.04 -1.95 -0.20 0.00 -0.03 0.00 0.00 54.58 52.36 2d4r n ASN 72 Cb 0.04 -0.28 0.06 0.00 -0.61 0.00 0.00 39.78 38.98 2d4r n ASN 72 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2d4r n LEU 73 N 0.94 -3.78 -4.09 3.41 4.77 -0.02 -4.82 117.00 113.41 2d4r n LEU 73 Ca 0.15 -0.76 -0.07 0.00 -0.03 0.00 0.00 56.01 55.30 2d4r n LEU 73 Cb 0.49 -2.87 -0.10 0.00 -2.33 0.00 0.00 43.42 38.61 2d4r n LEU 73 CO 0.11 0.36 -0.34 -0.13 -1.33 0.00 0.00 177.39 176.05 2d4r s ARG 74 N -5.53 0.67 0.03 3.23 0.52 -1.09 -2.29 118.95 114.49 2d4r s ARG 74 Ca 0.12 -1.25 -0.03 0.00 -0.52 0.00 0.00 55.73 54.05 2d4r s ARG 74 Cb -0.03 0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.64 2d4r s ARG 74 CO 0.78 -0.14 0.04 1.21 0.02 0.00 0.00 175.30 177.21 2d4r s ASN 75 N -2.94 0.24 -0.00 0.23 3.84 0.02 -0.21 114.94 116.12 2d4r s ASN 75 Ca 0.10 -0.59 0.04 0.00 0.21 0.00 0.00 52.86 52.62 2d4r s ASN 75 Cb 0.08 0.19 -0.01 0.00 -0.55 0.00 0.00 41.25 40.95 2d4r s ASN 75 CO -0.08 -0.46 -0.13 -0.60 -2.79 0.00 0.00 177.10 173.04 2d4r s ARG 76 N -2.45 1.04 0.07 0.43 3.52 0.11 -2.40 118.95 119.27 2d4r s ARG 76 Ca -0.06 -0.51 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 2d4r s ARG 76 Cb -0.02 -1.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.31 2d4r s ARG 76 CO -0.04 0.27 -0.05 -0.59 -0.81 0.00 0.00 175.30 174.08 2d4r s PHE 77 N -0.38 0.68 -0.10 5.12 -0.71 -0.78 0.12 117.98 121.92 2d4r s PHE 77 Ca 0.05 -0.91 -0.30 0.00 -1.04 0.00 0.00 56.93 54.73 2d4r s PHE 77 Cb -0.05 -0.43 0.07 0.00 -1.21 0.00 0.00 43.02 41.40 2d4r s PHE 77 CO -0.00 -0.24 0.70 -0.59 -1.34 0.00 0.00 175.22 173.75 2d4r s PHE 78 N -3.37 -0.67 -0.23 3.49 -0.71 -0.24 -1.99 117.98 114.27 2d4r s PHE 78 Ca 0.06 1.26 -0.07 0.00 -1.04 0.00 0.00 56.93 57.13 2d4r s PHE 78 Cb 0.04 0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 2d4r s PHE 78 CO -0.06 -0.55 0.07 0.45 -1.34 0.00 0.00 175.22 173.78 2d4r s SER 79 N -0.89 5.27 0.22 1.98 0.15 0.04 -0.36 113.70 120.11 2d4r s SER 79 Ca -0.09 -0.13 0.23 0.00 0.70 0.00 0.00 55.95 56.66 2d4r s SER 79 Cb -0.01 -1.94 0.14 0.00 -1.71 0.00 0.00 66.02 62.50 2d4r s SER 79 CO 0.08 0.02 1.20 1.55 1.20 0.00 0.00 173.24 177.29 2d4r h PRO 80 N 7.85 0.00 -2.88 5.44 0.13 -1.91 -3.41 132.00 137.21 2d4r h PRO 80 Ca -0.37 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.76 2d4r h PRO 80 Cb 1.18 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 2d4r h PRO 80 CO 0.60 0.00 0.26 -1.83 -0.23 0.00 0.00 178.00 176.80 2d4r s GLU 81 N -3.29 1.24 0.00 0.86 -1.05 -1.26 -5.09 118.70 110.11 2d4r s GLU 81 Ca 0.02 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 2d4r s GLU 81 Cb 0.10 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.35 2d4r s GLU 81 CO 0.75 -0.54 0.00 0.41 0.95 0.00 0.00 175.26 176.83 2d4r n GLY 82 N -0.36 0.78 0.14 -3.83 0.00 -1.26 -1.30 105.19 99.36 2d4r n GLY 82 Ca -0.15 -1.92 0.05 0.00 0.00 0.00 0.00 46.02 44.00 2d4r n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d4r h ASP 83 N 0.00 0.00 -3.50 1.61 3.45 -1.02 -3.45 116.42 113.51 2d4r h ASP 83 Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 2d4r h ASP 83 Cb 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 2d4r h ASP 83 CO 0.00 0.37 0.04 -0.36 -1.57 0.00 0.00 179.24 177.72 2d4r s PHE 84 N -3.04 3.61 0.18 4.55 0.40 -1.26 -4.77 117.98 117.65 2d4r s PHE 84 Ca 0.03 1.26 -0.05 0.00 -0.60 0.00 0.00 56.93 57.57 2d4r s PHE 84 Cb 0.07 -2.53 0.09 0.00 0.51 0.00 0.00 43.02 41.17 2d4r s PHE 84 CO 0.75 0.34 1.52 -0.44 0.70 0.00 0.00 175.22 178.09 2d4r h ASP 85 N 3.34 0.74 -3.68 1.36 3.45 -1.23 -3.45 116.42 116.95 2d4r h ASP 85 Ca -0.48 -0.36 -0.24 0.00 0.43 0.00 0.00 57.03 56.39 2d4r h ASP 85 Cb 1.19 -0.21 -0.29 0.00 -0.56 0.00 0.00 39.33 39.46 2d4r h ASP 85 CO 0.65 1.08 -0.68 -0.60 -1.57 0.00 0.00 179.24 178.13 2d4r s ARG 86 N -4.20 0.03 -0.29 3.56 3.52 -1.10 -4.92 118.95 115.56 2d4r s ARG 86 Ca -0.09 0.10 0.03 0.00 -0.13 0.00 0.00 55.73 55.64 2d4r s ARG 86 Cb 0.12 -0.04 0.17 0.00 -1.56 0.00 0.00 34.95 33.64 2d4r s ARG 86 CO 0.85 -0.05 0.48 -0.47 -0.81 0.00 0.00 175.30 175.30 2d4r s TYR 87 N 0.29 -1.31 0.16 5.12 5.04 -1.25 -0.52 117.35 124.88 2d4r s TYR 87 Ca -0.02 0.70 -0.19 0.00 -2.44 0.00 0.00 57.07 55.12 2d4r s TYR 87 Cb -0.03 0.06 0.04 0.00 0.35 0.00 0.00 41.96 42.38 2d4r s TYR 87 CO -0.01 -0.99 0.50 -1.83 -1.34 0.00 0.00 175.55 171.88 2d4r s GLU 88 N 2.66 1.22 0.00 4.97 -1.05 -0.31 -0.78 118.70 125.41 2d4r s GLU 88 Ca 0.11 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.26 2d4r s GLU 88 Cb -0.12 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2d4r s GLU 88 CO -0.27 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 175.84 2d4r n GLY 89 N -0.31 -0.54 2.94 -3.83 0.00 -0.84 0.55 105.19 103.17 2d4r n GLY 89 Ca -0.15 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 2d4r n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d4r s THR 90 N -3.15 0.03 -0.19 2.61 -4.23 -0.48 -1.87 115.64 108.37 2d4r s THR 90 Ca 0.00 -0.27 -0.08 0.00 -1.18 0.00 0.00 61.69 60.15 2d4r s THR 90 Cb 0.00 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.65 2d4r s THR 90 CO 0.00 -0.15 0.08 0.26 -0.54 0.00 0.00 174.62 174.27 2d4r s TRP 91 N -0.45 3.30 0.07 3.99 0.52 -1.01 -1.38 118.94 123.99 2d4r s TRP 91 Ca -0.05 0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.29 2d4r s TRP 91 Cb -0.03 -2.10 -0.03 0.00 -1.15 0.00 0.00 33.47 30.16 2d4r s TRP 91 CO -0.00 0.21 -0.17 0.14 0.02 0.00 0.00 176.95 177.15 2d4r s VAL 92 N 0.33 1.35 -0.26 4.03 -7.23 -0.43 -0.80 120.40 117.39 2d4r s VAL 92 Ca 0.05 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 2d4r s VAL 92 Cb -0.12 -1.25 0.07 0.00 0.56 0.00 0.00 36.38 35.64 2d4r s VAL 92 CO -0.00 -0.10 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.29 2d4r s PHE 93 N -1.12 2.64 -0.02 2.82 0.40 -0.97 -1.41 117.98 120.32 2d4r s PHE 93 Ca 0.02 -1.99 0.01 0.00 -0.60 0.00 0.00 56.93 54.37 2d4r s PHE 93 Cb -0.10 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 2d4r s PHE 93 CO 0.03 -0.82 -0.02 -0.51 0.70 0.00 0.00 175.22 174.60 2d4r s LEU 94 N 1.31 3.43 -0.11 -0.37 1.43 -0.35 -4.90 118.68 119.11 2d4r s LEU 94 Ca -0.03 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 2d4r s LEU 94 Cb -0.19 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 2d4r s LEU 94 CO -0.08 0.30 1.30 -2.16 0.23 0.00 0.00 176.35 175.94 2d4r s PRO 95 N -1.38 4.26 -0.38 1.29 0.04 -1.26 -0.13 135.00 137.44 2d4r s PRO 95 Ca 0.18 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.99 2d4r s PRO 95 Cb -0.11 -3.71 0.11 0.00 0.04 0.00 0.00 34.50 30.83 2d4r s PRO 95 CO 0.08 -0.64 0.13 -2.00 0.04 0.00 0.00 177.00 174.61 2d4r s GLU 96 N 3.11 1.33 7.68 4.56 2.12 0.01 -4.80 118.70 132.70 2d4r s GLU 96 Ca 0.58 -1.82 0.00 0.00 0.36 0.00 0.00 54.97 54.09 2d4r s GLU 96 Cb -0.25 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.38 2d4r s GLU 96 CO 0.19 -1.02 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 2d4r n GLY 97 N 4.09 3.96 0.02 -1.50 0.00 -1.26 -1.19 105.19 109.30 2d4r n GLY 97 Ca 0.03 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2d4r n GLY 97 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2d4r n GLU 98 N 14.00 0.06 -1.03 1.61 2.13 -1.26 -4.93 120.64 131.22 2d4r n GLU 98 Ca 0.00 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2d4r n GLU 98 Cb 0.00 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.15 2d4r n GLU 98 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2d4r n GLY 99 N 1.46 5.88 3.38 8.31 0.00 -0.33 -4.09 105.19 119.80 2d4r n GLY 99 Ca 0.06 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 2d4r n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d4r s THR 100 N -0.01 3.03 -0.43 2.61 2.01 -0.27 -0.81 115.64 121.76 2d4r s THR 100 Ca 0.00 -0.68 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 2d4r s THR 100 Cb 0.00 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.28 2d4r s THR 100 CO 0.00 0.53 0.52 -0.60 -0.69 0.00 0.00 174.62 174.38 2d4r s ARG 101 N 0.24 3.15 -0.12 4.92 3.52 0.81 -0.06 118.95 131.40 2d4r s ARG 101 Ca -0.09 -0.66 -0.17 0.00 -0.13 0.00 0.00 55.73 54.68 2d4r s ARG 101 Cb -0.15 -3.98 -0.04 0.00 -1.56 0.00 0.00 34.95 29.22 2d4r s ARG 101 CO 0.05 -0.94 0.44 0.08 -0.81 0.00 0.00 175.30 174.12 2d4r s VAL 102 N 2.38 5.21 -0.16 7.11 1.01 0.31 -1.22 120.40 135.04 2d4r s VAL 102 Ca 0.15 0.87 0.02 0.00 0.00 0.00 0.00 61.98 63.02 2d4r s VAL 102 Cb -0.16 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2d4r s VAL 102 CO 0.15 0.34 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 2d4r s VAL 103 N 0.55 2.21 -0.20 2.92 1.01 -0.50 -1.31 120.40 125.09 2d4r s VAL 103 Ca 0.24 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2d4r s VAL 103 Cb -0.15 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.35 2d4r s VAL 103 CO 0.09 0.54 -0.17 -0.22 0.00 0.00 0.00 175.10 175.34 2d4r s LEU 104 N 0.95 2.46 -0.10 3.92 0.20 0.02 -1.32 118.68 124.81 2d4r s LEU 104 Ca -0.03 -0.78 0.02 0.00 0.69 0.00 0.00 54.13 54.02 2d4r s LEU 104 Cb -0.15 -1.52 -0.01 0.00 -0.43 0.00 0.00 46.19 44.08 2d4r s LEU 104 CO -0.04 -0.04 -0.16 -0.89 -0.29 0.00 0.00 176.35 174.93 2d4r s THR 105 N 1.27 2.85 -0.11 3.68 2.01 -0.48 -1.02 115.64 123.84 2d4r s THR 105 Ca 0.02 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 2d4r s THR 105 Cb -0.14 -2.16 0.04 0.00 0.01 0.00 0.00 72.50 70.24 2d4r s THR 105 CO -0.11 0.55 0.01 -0.22 -0.69 0.00 0.00 174.62 174.16 2d4r s LEU 106 N 0.10 0.77 -0.23 4.42 2.96 0.43 -1.38 118.68 125.74 2d4r s LEU 106 Ca -0.07 -0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 53.44 2d4r s LEU 106 Cb -0.15 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 2d4r s LEU 106 CO 0.05 -0.23 0.11 0.28 -1.32 0.00 0.00 176.35 175.24 2d4r s THR 107 N 1.94 4.84 0.10 3.68 -1.32 0.19 -0.12 115.64 124.95 2d4r s THR 107 Ca 0.03 -0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.55 2d4r s THR 107 Cb -0.14 -3.25 -0.04 0.00 -1.51 0.00 0.00 72.50 67.57 2d4r s THR 107 CO -0.06 0.36 -0.11 -0.72 -2.21 0.00 0.00 174.62 171.88 2d4r s TYR 108 N 1.17 1.12 -0.02 9.09 -0.85 -0.44 -1.16 117.35 126.25 2d4r s TYR 108 Ca 0.06 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 2d4r s TYR 108 Cb -0.14 -0.61 0.03 0.00 0.38 0.00 0.00 41.96 41.62 2d4r s TYR 108 CO 0.04 0.02 0.02 -2.00 -1.52 0.00 0.00 175.55 172.12 2d4r s GLU 109 N -2.88 0.11 -0.26 -3.49 2.12 0.33 -1.96 118.70 112.68 2d4r s GLU 109 Ca 0.07 0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.53 2d4r s GLU 109 Cb -0.03 -0.36 0.08 0.00 0.26 0.00 0.00 34.13 34.08 2d4r s GLU 109 CO 0.00 -0.16 0.04 -1.17 -0.54 0.00 0.00 175.26 173.44 2d4r s LEU 110 N 1.08 2.11 -0.07 2.70 2.96 -1.26 -0.71 118.68 125.48 2d4r s LEU 110 Ca -0.09 -1.32 -0.30 0.00 -0.22 0.00 0.00 54.13 52.20 2d4r s LEU 110 Cb -0.13 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 2d4r s LEU 110 CO -0.02 -0.34 1.11 0.42 -1.32 0.00 0.00 176.35 176.19 2d4r s THR 111 N 1.61 4.51 -0.18 3.68 -4.23 -1.26 -5.02 115.64 114.75 2d4r s THR 111 Ca 0.03 1.80 0.01 0.00 -1.18 0.00 0.00 61.69 62.35 2d4r s THR 111 Cb -0.18 -4.16 0.03 0.00 1.34 0.00 0.00 72.50 69.53 2d4r s THR 111 CO -0.15 0.01 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.15 2d4r s ILE 112 N 2.07 1.79 0.11 2.99 1.01 -1.26 -5.06 121.20 122.85 2d4r s ILE 112 Ca 0.52 -0.87 -0.34 0.00 0.00 0.00 0.00 60.65 59.96 2d4r s ILE 112 Cb -0.22 -1.70 -0.14 0.00 0.01 0.00 0.00 42.46 40.41 2d4r s ILE 112 CO 0.20 0.40 1.61 -2.65 0.00 0.00 0.00 174.94 174.50 2d4r n PRO 113 N 4.68 2.08 0.00 2.79 -0.02 -1.26 -2.91 135.00 140.37 2d4r n PRO 113 Ca -0.18 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2d4r n PRO 113 Cb 0.49 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2d4r n PRO 113 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2d4r n ILE 114 N 3.63 0.00 0.96 4.25 5.41 -1.26 -4.42 119.36 127.93 2d4r n ILE 114 Ca 0.18 0.00 0.12 0.00 1.00 0.00 0.00 62.75 64.05 2d4r n ILE 114 Cb 0.28 0.00 0.29 0.00 -0.71 0.00 0.00 39.64 39.50 2d4r n ILE 114 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2d4r n PHE 115 N 0.00 0.21 -0.04 1.39 3.72 -1.24 -4.49 117.46 117.00 2d4r n PHE 115 Ca 0.00 -0.10 0.15 0.00 -0.05 0.00 0.00 57.45 57.44 2d4r n PHE 115 Cb 0.00 0.00 0.57 0.00 -0.94 0.00 0.00 39.48 39.11 2d4r n PHE 115 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2d4r h GLY 116 N 4.78 0.37 1.24 1.37 0.00 -1.74 -2.44 103.07 106.65 2d4r h GLY 116 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 47.33 46.90 2d4r h GLY 116 CO 0.00 0.06 -1.52 -1.33 0.00 0.00 0.00 176.54 173.74 2d4r h GLY 117 N 0.25 0.45 2.00 4.60 0.00 -1.89 -3.21 103.07 105.27 2d4r h GLY 117 Ca 0.26 -1.16 -0.04 0.00 0.00 0.00 0.00 47.33 46.40 2d4r h GLY 117 CO -0.05 1.01 -0.17 1.41 0.00 0.00 0.00 176.54 178.74 2d4r h LEU 118 N 0.11 0.00 -2.94 3.11 3.38 -1.75 -3.13 115.31 114.09 2d4r h LEU 118 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2d4r h LEU 118 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 2d4r h LEU 118 CO 0.22 0.17 0.00 0.18 0.09 0.00 0.00 178.44 179.09 2d4r n LEU 119 N -3.44 2.64 -0.33 1.67 4.77 -1.00 -4.67 117.00 116.64 2d4r n LEU 119 Ca -0.01 -2.07 0.17 0.00 -0.03 0.00 0.00 56.01 54.08 2d4r n LEU 119 Cb 0.35 -0.17 0.37 0.00 -2.33 0.00 0.00 43.42 41.64 2d4r n LEU 119 CO 0.31 0.65 1.11 -0.09 -1.33 0.00 0.00 177.39 178.04 2d4r h ARG 120 N 1.28 0.46 -0.08 3.23 9.65 -1.54 0.21 114.38 127.59 2d4r h ARG 120 Ca 0.00 -0.03 -0.19 0.00 -1.10 0.00 0.00 59.98 58.66 2d4r h ARG 120 Cb 0.69 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.16 2d4r h ARG 120 CO 0.01 0.31 -0.74 0.87 2.80 0.00 0.00 179.97 183.21 2d4r h LYS 121 N 0.48 0.45 0.01 0.20 1.57 -1.85 -1.22 116.57 116.20 2d4r h LYS 121 Ca 0.63 -0.37 -0.24 0.00 -1.87 0.00 0.00 60.65 58.80 2d4r h LYS 121 Cb 1.22 0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.62 2d4r h LYS 121 CO -0.51 1.01 -0.99 1.25 -0.57 0.00 0.00 179.45 179.63 2d4r h LEU 122 N 0.30 0.66 -1.21 2.94 5.85 -1.40 -2.38 115.31 120.07 2d4r h LEU 122 Ca -0.03 -0.53 -0.05 0.00 0.84 0.00 0.00 57.88 58.11 2d4r h LEU 122 Cb 1.32 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2d4r h LEU 122 CO 0.13 1.33 0.02 0.58 -0.34 0.00 0.00 178.44 180.16 2d4r h VAL 123 N 0.28 1.20 -0.05 1.05 2.07 -0.97 -1.86 116.25 117.97 2d4r h VAL 123 Ca -0.10 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2d4r h VAL 123 Cb 1.63 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2d4r h VAL 123 CO 0.18 0.27 0.02 1.56 0.02 0.00 0.00 177.57 179.62 2d4r h GLN 124 N 0.54 0.07 -0.82 1.57 1.08 -1.18 -3.11 115.11 113.26 2d4r h GLN 124 Ca 0.12 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2d4r h GLN 124 Cb 0.32 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 2d4r h GLN 124 CO 0.01 0.22 0.42 -0.22 -0.95 0.00 0.00 178.83 178.31 2d4r h LYS 125 N -0.10 1.15 -0.65 1.46 1.63 -1.24 0.90 116.57 119.72 2d4r h LYS 125 Ca 0.01 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 2d4r h LYS 125 Cb 0.18 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2d4r h LYS 125 CO -0.00 0.87 0.00 1.28 -3.45 0.00 0.00 179.45 178.15 2d4r n LEU 126 N -4.37 0.22 0.00 5.20 4.77 -0.72 -1.06 117.00 121.04 2d4r n LEU 126 Ca 0.08 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2d4r n LEU 126 Cb 0.11 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2d4r n LEU 126 CO 0.39 0.05 0.00 1.67 -1.33 0.00 0.00 177.39 178.16 2d4r n GLN 128 N 0.58 0.00 0.13 3.23 -0.06 0.31 -1.18 117.38 120.39 2d4r n GLN 128 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2d4r n GLN 128 Cb 0.05 0.00 0.13 0.00 -4.06 0.00 0.00 30.24 26.35 2d4r n GLN 128 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 2d4r h GLU 129 N 0.00 0.00 0.10 3.69 4.39 -1.35 -2.68 114.58 118.73 2d4r h GLU 129 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2d4r h GLU 129 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2d4r h GLU 129 CO 0.00 0.62 -0.05 -0.97 -1.16 0.00 0.00 179.01 177.45 2d4r h ASN 130 N 0.00 -0.11 0.83 1.42 -1.24 -1.41 -1.94 115.58 113.13 2d4r h ASN 130 Ca -0.01 -0.22 -0.07 0.00 0.71 0.00 0.00 56.30 56.71 2d4r h ASN 130 Cb 1.25 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.32 2d4r h ASN 130 CO 0.08 0.16 -0.33 -0.37 -1.29 0.00 0.00 177.43 175.68 2d4r h VAL 131 N -0.39 0.81 -0.05 2.57 -1.51 -1.84 0.32 116.25 116.17 2d4r h VAL 131 Ca -0.01 -1.40 -0.21 0.00 -1.23 0.00 0.00 66.70 63.85 2d4r h VAL 131 Cb 0.33 1.87 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2d4r h VAL 131 CO 0.02 0.33 -0.83 -0.33 -1.23 0.00 0.00 177.57 175.53 2d4r h GLU 132 N 0.00 0.44 0.00 5.19 5.08 -1.46 -2.09 114.58 121.73 2d4r h GLU 132 Ca -0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2d4r h GLU 132 Cb 0.84 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2d4r h GLU 132 CO 0.04 1.06 -0.13 0.66 -1.00 0.00 0.00 179.01 179.63 2d4r h SER 133 N 0.27 0.00 -0.72 1.42 4.64 -1.18 -1.79 113.55 116.20 2d4r h SER 133 Ca -0.06 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 2d4r h SER 133 Cb 1.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.50 2d4r h SER 133 CO 0.15 0.00 0.26 0.25 -0.87 0.00 0.00 176.83 176.62 2d4r h LEU 134 N 0.00 1.01 0.00 5.97 5.85 -0.81 -2.07 115.31 125.26 2d4r h LEU 134 Ca 0.00 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 2d4r h LEU 134 Cb 0.94 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2d4r h LEU 134 CO 0.00 0.93 -0.63 -0.07 -0.34 0.00 0.00 178.44 178.32 2d4r h LEU 135 N 1.04 0.00 0.07 2.25 3.38 -1.05 -2.83 115.31 118.18 2d4r h LEU 135 Ca 0.24 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.95 2d4r h LEU 135 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2d4r h LEU 135 CO -0.01 0.62 -1.18 0.50 0.09 0.00 0.00 178.44 178.45 2d4r h LYS 136 N 0.00 0.16 0.00 1.13 3.64 -1.32 -2.23 116.57 117.96 2d4r h LYS 136 Ca -0.01 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2d4r h LYS 136 Cb 1.48 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2d4r h LYS 136 CO 0.08 1.11 0.00 0.78 -2.27 0.00 0.00 179.45 179.15 2d4r h GLY 137 N 2.20 0.00 0.35 5.01 0.00 -1.43 -1.10 103.07 108.09 2d4r h GLY 137 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2d4r h GLY 137 CO 0.17 0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 174.70 2d4r h LEU 138 N 0.00 -0.02 -1.33 3.11 5.85 -1.37 -1.85 115.31 119.72 2d4r h LEU 138 Ca 0.00 -0.63 0.09 0.00 0.84 0.00 0.00 57.88 58.18 2d4r h LEU 138 Cb 0.76 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 2d4r h LEU 138 CO 0.00 0.63 0.52 -0.08 -0.34 0.00 0.00 178.44 179.17 2d4r h GLU 139 N -0.67 0.74 -0.18 1.25 4.81 -1.16 0.80 114.58 120.17 2d4r h GLU 139 Ca -0.00 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 2d4r h GLU 139 Cb 0.64 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2d4r h GLU 139 CO 0.00 0.49 -0.46 0.93 -0.73 0.00 0.00 179.01 179.24 2d4r h GLU 140 N 0.76 0.45 -0.55 1.92 5.08 -1.23 -0.74 114.58 120.28 2d4r h GLU 140 Ca 0.37 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2d4r h GLU 140 Cb 0.42 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2d4r h GLU 140 CO -0.14 0.82 0.22 -0.09 -1.00 0.00 0.00 179.01 178.82 2d4r h ARG 141 N 0.36 0.83 -0.22 2.33 1.12 -0.23 -2.88 114.38 115.69 2d4r h ARG 141 Ca 0.02 -0.15 -0.15 0.00 -1.11 0.00 0.00 59.98 58.59 2d4r h ARG 141 Cb 0.95 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.77 2d4r h ARG 141 CO 0.08 0.72 -0.48 0.28 -3.11 0.00 0.00 179.97 177.46 2d4r h VAL 142 N 0.75 1.31 -0.15 0.20 2.07 -0.31 -0.66 116.25 119.46 2d4r h VAL 142 Ca 0.18 -1.69 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 2d4r h VAL 142 Cb 0.20 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2d4r h VAL 142 CO -0.02 0.53 -0.07 0.17 0.02 0.00 0.00 177.57 178.21 2d4r h LEU 143 N 0.46 0.31 0.40 2.57 8.10 -1.19 -2.29 115.31 123.67 2d4r h LEU 143 Ca 0.02 -0.41 -0.01 0.00 0.11 0.00 0.00 57.88 57.59 2d4r h LEU 143 Cb 1.01 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 41.13 2d4r h LEU 143 CO 0.09 0.65 -0.32 0.00 -4.11 0.00 0.00 178.44 174.76 2d4r h ALA 144 N 0.67 -1.06 0.00 0.17 0.00 -1.37 -1.96 119.26 115.71 2d4r h ALA 144 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2d4r h ALA 144 Cb 0.54 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2d4r h ALA 144 CO 0.02 -1.06 0.04 0.00 0.00 0.00 0.00 179.25 178.25 2d4r n ALA 145 N -2.57 0.92 1.28 0.00 0.00 -0.27 0.12 120.51 119.98 2d4r n ALA 145 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.49 2d4r n ALA 145 Cb 0.31 -0.91 0.34 0.00 0.00 0.00 0.00 19.45 19.18 2d4r n ALA 145 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2d4r n SER 146 N -1.45 2.08 0.00 0.00 7.64 -0.75 -5.07 113.62 116.07 2d4r n SER 146 Ca 0.00 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.21 2d4r n SER 146 Cb 0.04 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2d4r n SER 146 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83