#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nsq s GLU 7 N 0.00 0.76 0.41 1.61 0.41 -1.26 -5.15 118.70 115.48 2nsq s GLU 7 Ca 0.00 -0.10 -0.26 0.00 -0.41 0.00 0.00 54.97 54.20 2nsq s GLU 7 Cb 0.00 0.34 -0.09 0.00 -1.78 0.00 0.00 34.13 32.60 2nsq s GLU 7 CO 0.00 -0.22 1.36 -2.14 -0.49 0.00 0.00 175.26 173.77 2nsq s PRO 8 N -1.32 3.93 -0.07 0.39 0.02 -1.26 -5.04 135.00 131.66 2nsq s PRO 8 Ca -0.13 2.27 0.05 0.00 0.02 0.00 0.00 61.00 63.22 2nsq s PRO 8 Cb -0.04 -2.77 -0.01 0.00 0.02 0.00 0.00 34.50 31.70 2nsq s PRO 8 CO 0.05 -0.56 -0.24 0.08 -0.33 0.00 0.00 177.00 176.00 2nsq s VAL 9 N -1.22 1.99 -0.18 3.83 1.01 -1.26 -3.93 120.40 120.64 2nsq s VAL 9 Ca 0.57 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 2nsq s VAL 9 Cb -0.41 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 2nsq s VAL 9 CO 0.53 0.55 0.16 -0.31 0.00 0.00 0.00 175.10 176.03 2nsq s TYR 10 N -0.03 3.44 0.00 5.22 2.02 0.14 -4.94 117.35 123.19 2nsq s TYR 10 Ca -0.07 0.41 0.00 0.00 -0.37 0.00 0.00 57.07 57.04 2nsq s TYR 10 Cb -0.14 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.24 2nsq s TYR 10 CO 0.05 0.33 0.00 0.41 -1.57 0.00 0.00 175.55 174.77 2nsq n GLY 11 N 3.31 2.59 3.64 0.71 0.00 -1.26 -0.81 105.19 113.37 2nsq n GLY 11 Ca -0.16 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 2nsq n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nsq s LEU 12 N 0.00 3.38 0.26 0.99 1.43 -1.26 -4.62 118.68 118.86 2nsq s LEU 12 Ca 0.00 -0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 2nsq s LEU 12 Cb 0.00 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.27 2nsq s LEU 12 CO 0.00 0.32 1.15 -0.44 0.23 0.00 0.00 176.35 177.62 2nsq s SER 13 N -1.20 7.15 -0.07 2.29 0.01 -1.26 -4.93 113.70 115.68 2nsq s SER 13 Ca 0.16 2.31 0.20 0.00 1.31 0.00 0.00 55.95 59.93 2nsq s SER 13 Cb -0.11 -2.62 -0.27 0.00 0.21 0.00 0.00 66.02 63.22 2nsq s SER 13 CO 0.06 -0.26 0.38 -0.62 0.41 0.00 0.00 173.24 173.21 2nsq n GLU 14 N 1.53 0.66 -3.39 12.44 1.02 -1.26 -4.84 120.64 126.81 2nsq n GLU 14 Ca 0.01 -0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 2nsq n GLU 14 Cb 0.44 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 2nsq n GLU 14 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2nsq s ASP 15 N -5.04 0.60 0.51 1.62 -1.08 -1.26 -5.03 116.67 107.00 2nsq s ASP 15 Ca -0.08 0.05 0.29 0.00 -0.52 0.00 0.00 52.55 52.29 2nsq s ASP 15 Cb 0.10 0.90 1.22 0.00 -1.46 0.00 0.00 42.92 43.68 2nsq s ASP 15 CO 0.87 -0.31 1.94 -0.08 0.52 0.00 0.00 175.17 178.10 2nsq h GLU 16 N 8.22 0.00 0.00 4.34 4.57 -1.96 -2.28 114.58 127.47 2nsq h GLU 16 Ca -0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2nsq h GLU 16 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2nsq h GLU 16 CO 0.28 0.10 0.00 0.41 -1.18 0.00 0.00 179.01 178.62 2nsq n GLY 17 N -0.00 -0.98 0.00 1.92 0.00 -1.26 -3.47 105.19 101.39 2nsq n GLY 17 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2nsq n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nsq n GLU 18 N -0.78 0.94 -3.78 1.61 1.02 -0.87 -5.08 120.64 113.69 2nsq n GLU 18 Ca 0.13 -0.22 -0.25 0.00 -0.02 0.00 0.00 57.16 56.81 2nsq n GLU 18 Cb 0.06 -0.66 -0.03 0.00 -0.02 0.00 0.00 31.44 30.79 2nsq n GLU 18 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2nsq s SER 19 N -0.20 6.35 0.08 1.62 1.04 -1.17 -4.31 113.70 117.11 2nsq s SER 19 Ca 0.00 0.27 -0.00 0.00 0.48 0.00 0.00 55.95 56.70 2nsq s SER 19 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 66.02 64.13 2nsq s SER 19 CO 0.00 -0.06 -0.02 -0.13 0.98 0.00 0.00 173.24 174.01 2nsq s ARG 20 N -3.58 0.74 -0.27 4.02 1.81 0.72 -4.92 118.95 117.46 2nsq s ARG 20 Ca 0.37 -1.30 -0.09 0.00 -1.72 0.00 0.00 55.73 52.98 2nsq s ARG 20 Cb -0.10 0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.45 2nsq s ARG 20 CO 0.30 -0.11 0.13 0.42 -0.68 0.00 0.00 175.30 175.36 2nsq s ILE 21 N -3.85 4.73 -0.20 1.52 -1.09 -1.26 -1.01 121.20 120.04 2nsq s ILE 21 Ca 0.12 -0.10 -0.07 0.00 -2.23 0.00 0.00 60.65 58.37 2nsq s ILE 21 Cb 0.07 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.65 2nsq s ILE 21 CO -0.06 0.25 0.05 -0.22 -1.23 0.00 0.00 174.94 173.73 2nsq s LEU 22 N 1.67 3.62 -0.14 2.97 2.96 -0.12 -0.40 118.68 129.24 2nsq s LEU 22 Ca 0.06 -0.04 -0.16 0.00 -0.22 0.00 0.00 54.13 53.77 2nsq s LEU 22 Cb -0.16 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2nsq s LEU 22 CO 0.07 0.10 0.38 -0.60 -1.32 0.00 0.00 176.35 174.98 2nsq s ARG 23 N 0.79 4.29 -0.07 1.98 3.52 -0.58 -0.09 118.95 128.80 2nsq s ARG 23 Ca 0.03 0.26 0.01 0.00 -0.13 0.00 0.00 55.73 55.90 2nsq s ARG 23 Cb -0.14 -3.43 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 2nsq s ARG 23 CO 0.02 0.20 -0.09 0.08 -0.81 0.00 0.00 175.30 174.71 2nsq s VAL 24 N 0.53 0.92 -0.16 7.11 1.01 0.46 -1.60 120.40 128.66 2nsq s VAL 24 Ca 0.21 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2nsq s VAL 24 Cb -0.14 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.36 2nsq s VAL 24 CO 0.07 0.32 -0.17 -0.75 0.00 0.00 0.00 175.10 174.57 2nsq s LYS 25 N 0.99 3.15 -0.53 2.72 2.20 0.25 0.20 119.74 128.71 2nsq s LYS 25 Ca -0.09 -0.78 -0.19 0.00 -0.36 0.00 0.00 55.97 54.55 2nsq s LYS 25 Cb -0.15 -2.60 0.07 0.00 -1.51 0.00 0.00 37.83 33.64 2nsq s LYS 25 CO 0.00 -0.04 0.66 0.08 -0.36 0.00 0.00 175.35 175.69 2nsq s VAL 26 N 0.93 4.83 -0.10 4.02 1.01 0.95 -1.58 120.40 130.46 2nsq s VAL 26 Ca -0.03 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2nsq s VAL 26 Cb -0.15 -4.36 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 2nsq s VAL 26 CO -0.03 -0.90 -0.01 0.58 0.00 0.00 0.00 175.10 174.74 2nsq h VAL 27 N 5.88 0.00 -2.55 2.92 2.07 -1.25 -1.23 116.25 122.10 2nsq h VAL 27 Ca -0.28 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 66.34 2nsq h VAL 27 Cb 1.09 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.72 2nsq h VAL 27 CO 1.00 0.00 0.39 -0.94 0.02 0.00 0.00 177.57 178.04 2nsq s SER 28 N -5.48 -0.44 0.05 0.57 1.04 -1.18 -0.61 113.70 107.65 2nsq s SER 28 Ca -0.01 -0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.46 2nsq s SER 28 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2nsq s SER 28 CO 0.01 -0.76 -0.10 -0.83 0.98 0.00 0.00 173.24 172.55 2nsq s GLY 29 N -2.59 1.74 -0.08 7.32 0.00 0.18 -0.75 107.32 113.14 2nsq s GLY 29 Ca 0.04 -1.13 -0.00 0.00 0.00 0.00 0.00 44.72 43.62 2nsq s GLY 29 CO -0.10 -1.05 -0.04 -0.42 0.00 0.00 0.00 173.10 171.50 2nsq s ILE 30 N -1.07 0.63 -1.21 0.90 1.01 0.12 -2.86 121.20 118.73 2nsq s ILE 30 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 2nsq s ILE 30 Cb -0.11 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.65 2nsq s ILE 30 CO 0.10 0.29 1.02 -0.67 0.00 0.00 0.00 174.94 175.68 2nsq n ASP 31 N 4.83 -3.42 -4.77 3.58 2.03 -1.11 -1.18 116.55 116.52 2nsq n ASP 31 Ca -0.12 -0.57 -0.32 0.00 0.52 0.00 0.00 54.79 54.29 2nsq n ASP 31 Cb 0.50 -4.93 0.06 0.00 -0.72 0.00 0.00 41.12 36.03 2nsq n ASP 31 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2nsq s LEU 32 N -6.49 3.25 0.32 -2.67 1.43 -0.77 -3.32 118.68 110.43 2nsq s LEU 32 Ca 0.19 1.93 -0.28 0.00 -1.03 0.00 0.00 54.13 54.94 2nsq s LEU 32 Cb -0.08 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.50 2nsq s LEU 32 CO 0.70 -1.79 1.21 0.00 0.23 0.00 0.00 176.35 176.70 2nsq s ALA 33 N -2.56 3.41 -0.45 4.21 0.00 -1.26 -4.92 121.76 120.20 2nsq s ALA 33 Ca 0.65 1.09 -0.18 0.00 0.00 0.00 0.00 51.96 53.51 2nsq s ALA 33 Cb -0.19 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.55 2nsq s ALA 33 CO 0.47 -0.46 0.53 0.21 0.00 0.00 0.00 175.76 176.52 2nsq s LYS 34 N -1.75 3.14 -0.09 0.00 2.47 -1.26 -5.04 119.74 117.22 2nsq s LYS 34 Ca 0.49 -0.73 -0.02 0.00 -1.56 0.00 0.00 55.97 54.14 2nsq s LYS 34 Cb -0.36 -4.01 -0.26 0.00 -1.46 0.00 0.00 37.83 31.75 2nsq s LYS 34 CO 0.47 -1.00 0.50 1.57 0.16 0.00 0.00 175.35 177.05 2nsq h LYS 35 N 8.84 0.22 -0.58 4.03 2.10 -1.98 -3.54 116.57 125.65 2nsq h LYS 35 Ca -0.27 -0.37 -0.08 0.00 -2.00 0.00 0.00 60.65 57.93 2nsq h LYS 35 Cb 1.10 0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2nsq h LYS 35 CO 0.87 1.06 0.09 0.00 -2.00 0.00 0.00 179.45 179.46 2nsq n ALA 40 N -2.86 -0.08 -2.60 0.07 0.00 -1.26 -5.27 120.51 108.51 2nsq n ALA 40 Ca -0.27 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 2nsq n ALA 40 Cb 1.05 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 20.25 2nsq n ALA 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nsq s SER 41 N 0.38 6.54 -0.57 0.00 0.15 -1.26 -4.92 113.70 114.03 2nsq s SER 41 Ca 0.11 0.46 0.04 0.00 0.70 0.00 0.00 55.95 57.26 2nsq s SER 41 Cb -0.15 -2.36 0.16 0.00 -1.71 0.00 0.00 66.02 61.97 2nsq s SER 41 CO 0.07 -0.55 0.40 -1.81 1.20 0.00 0.00 173.24 172.55 2nsq s ASP 42 N 1.66 3.56 0.34 5.45 1.01 -1.26 -1.02 116.67 126.41 2nsq s ASP 42 Ca 0.28 -3.40 -0.24 0.00 0.71 0.00 0.00 52.55 49.90 2nsq s ASP 42 Cb -0.14 -1.17 -0.10 0.00 1.01 0.00 0.00 42.92 42.52 2nsq s ASP 42 CO 0.13 -0.14 0.91 -2.84 0.21 0.00 0.00 175.17 173.44 2nsq s PRO 43 N -0.68 4.43 0.13 8.23 0.02 -1.02 -0.42 135.00 145.68 2nsq s PRO 43 Ca 0.26 1.19 -0.03 0.00 0.02 0.00 0.00 61.00 62.44 2nsq s PRO 43 Cb -0.05 -2.62 -0.03 0.00 0.02 0.00 0.00 34.50 31.82 2nsq s PRO 43 CO -0.15 0.20 0.10 1.52 -0.33 0.00 0.00 177.00 178.34 2nsq s TYR 44 N -1.78 0.68 -0.13 6.54 -0.85 -0.26 -0.86 117.35 120.69 2nsq s TYR 44 Ca 0.53 -1.08 -0.01 0.00 -0.52 0.00 0.00 57.07 55.99 2nsq s TYR 44 Cb -0.15 -0.36 -0.02 0.00 0.38 0.00 0.00 41.96 41.81 2nsq s TYR 44 CO 0.20 -0.55 -0.10 0.08 -1.52 0.00 0.00 175.55 173.67 2nsq s VAL 45 N -4.01 3.37 -0.25 -3.49 1.01 -1.26 -1.01 120.40 114.77 2nsq s VAL 45 Ca 0.20 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 2nsq s VAL 45 Cb 0.06 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2nsq s VAL 45 CO -0.01 0.52 0.16 -0.75 0.00 0.00 0.00 175.10 175.03 2nsq s LYS 46 N 0.27 4.01 -0.22 2.72 2.20 0.50 -0.43 119.74 128.79 2nsq s LYS 46 Ca -0.07 -0.30 -0.09 0.00 -0.36 0.00 0.00 55.97 55.15 2nsq s LYS 46 Cb -0.15 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 2nsq s LYS 46 CO 0.04 -0.03 0.11 -0.51 -0.36 0.00 0.00 175.35 174.61 2nsq s LEU 47 N 1.30 3.87 -0.22 5.43 1.02 0.10 -0.71 118.68 129.47 2nsq s LEU 47 Ca 0.07 0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.27 2nsq s LEU 47 Cb -0.14 -2.02 0.04 0.00 0.02 0.00 0.00 46.19 44.09 2nsq s LEU 47 CO 0.07 0.08 -0.14 -0.44 0.02 0.00 0.00 176.35 175.94 2nsq s SER 48 N 0.93 3.82 0.01 2.29 0.01 0.24 -1.84 113.70 119.17 2nsq s SER 48 Ca 0.05 -1.06 -0.25 0.00 1.31 0.00 0.00 55.95 56.00 2nsq s SER 48 Cb -0.13 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.57 2nsq s SER 48 CO 0.03 -0.12 0.78 -0.22 0.41 0.00 0.00 173.24 174.12 2nsq s LEU 49 N 1.21 4.41 0.10 2.44 2.96 -0.15 -0.76 118.68 128.88 2nsq s LEU 49 Ca -0.03 1.41 -0.11 0.00 -0.22 0.00 0.00 54.13 55.18 2nsq s LEU 49 Cb -0.17 -3.24 0.01 0.00 0.50 0.00 0.00 46.19 43.29 2nsq s LEU 49 CO -0.08 -0.05 0.25 -0.72 -1.32 0.00 0.00 176.35 174.42 2nsq s TYR 50 N 0.30 0.05 -0.07 5.38 -0.85 -0.49 0.58 117.35 122.24 2nsq s TYR 50 Ca 0.40 -0.45 -0.27 0.00 -0.52 0.00 0.00 57.07 56.23 2nsq s TYR 50 Cb -0.20 0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.14 2nsq s TYR 50 CO 0.22 -0.58 0.87 0.08 -1.52 0.00 0.00 175.55 174.62 2nsq s VAL 51 N -3.82 4.91 0.57 -3.49 1.01 -0.19 -1.00 120.40 118.39 2nsq s VAL 51 Ca 0.04 1.79 -0.20 0.00 0.00 0.00 0.00 61.98 63.61 2nsq s VAL 51 Cb 0.04 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2nsq s VAL 51 CO -0.11 0.13 1.27 0.00 0.00 0.00 0.00 175.10 176.39 2nsq s ALA 52 N 1.37 2.66 0.00 5.51 0.00 0.71 -1.12 121.76 130.89 2nsq s ALA 52 Ca 0.44 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2nsq s ALA 52 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2nsq s ALA 52 CO 0.20 -1.25 0.00 -0.25 0.00 0.00 0.00 175.76 174.46 2nsq n ASP 53 N -1.32 0.00 0.26 0.00 8.00 -1.26 -4.34 116.55 117.89 2nsq n ASP 53 Ca 0.12 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.74 2nsq n ASP 53 Cb 0.48 0.00 0.73 0.00 -0.02 0.00 0.00 41.12 42.30 2nsq n ASP 53 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2nsq h GLU 54 N 0.00 0.00 -6.80 -1.24 5.08 -1.96 -3.46 114.58 106.19 2nsq h GLU 54 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2nsq h GLU 54 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 2nsq h GLU 54 CO 0.00 0.09 -0.94 0.09 -1.00 0.00 0.00 179.01 177.25 2nsq n ASN 55 N -3.89 -0.49 -4.35 1.42 5.03 -0.28 -4.96 115.26 107.74 2nsq n ASN 55 Ca -0.02 -1.17 -0.37 0.00 0.87 0.00 0.00 54.58 53.89 2nsq n ASN 55 Cb 0.19 -2.24 -0.13 0.00 -1.02 0.00 0.00 39.78 36.58 2nsq n ASN 55 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2nsq s ARG 56 N -7.00 3.16 0.22 3.52 3.52 -1.20 -4.92 118.95 116.25 2nsq s ARG 56 Ca 0.09 -0.81 -0.31 0.00 -0.13 0.00 0.00 55.73 54.57 2nsq s ARG 56 Cb -0.04 -3.36 -0.11 0.00 -1.56 0.00 0.00 34.95 29.88 2nsq s ARG 56 CO 0.95 -0.41 1.62 -1.21 -0.81 0.00 0.00 175.30 175.44 2nsq s GLU 57 N 1.51 4.16 -0.01 5.12 2.02 -1.26 -1.02 118.70 129.21 2nsq s GLU 57 Ca 0.03 2.51 0.12 0.00 0.02 0.00 0.00 54.97 57.65 2nsq s GLU 57 Cb -0.17 -3.08 -0.18 0.00 0.10 0.00 0.00 34.13 30.80 2nsq s GLU 57 CO 0.02 -0.65 0.29 1.28 0.02 0.00 0.00 175.26 176.22 2nsq n LEU 58 N 3.34 0.06 -3.64 1.80 4.77 0.20 -4.90 117.00 118.62 2nsq n LEU 58 Ca 0.12 -0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 2nsq n LEU 58 Cb 0.37 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 2nsq n LEU 58 CO 0.63 0.02 0.82 0.00 -1.33 0.00 0.00 177.39 177.52 2nsq s ALA 59 N -2.74 -2.04 -0.03 -1.18 0.00 -1.11 -4.50 121.76 110.15 2nsq s ALA 59 Ca -0.03 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2nsq s ALA 59 Cb 0.08 -1.52 0.03 0.00 0.00 0.00 0.00 23.12 21.70 2nsq s ALA 59 CO 0.49 -0.22 -0.01 -0.51 0.00 0.00 0.00 175.76 175.52 2nsq s LEU 60 N 0.25 1.18 -0.04 0.00 1.43 -1.26 -0.97 118.68 119.26 2nsq s LEU 60 Ca 0.03 -0.05 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 2nsq s LEU 60 Cb -0.05 -0.28 0.05 0.00 0.03 0.00 0.00 46.19 45.94 2nsq s LEU 60 CO -0.08 -0.09 0.50 0.54 0.23 0.00 0.00 176.35 177.44 2nsq s VAL 61 N 1.03 0.03 0.15 -1.59 0.11 -0.76 -5.02 120.40 114.34 2nsq s VAL 61 Ca -0.10 -0.22 0.08 0.00 -2.93 0.00 0.00 61.98 58.82 2nsq s VAL 61 Cb -0.14 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2nsq s VAL 61 CO -0.01 -0.12 -0.18 0.00 -3.33 0.00 0.00 175.10 171.45 2nsq s GLN 62 N -1.15 1.21 0.90 1.54 -2.07 -1.26 0.00 119.66 118.83 2nsq s GLN 62 Ca -0.11 -1.33 -0.13 0.00 -1.82 0.00 0.00 55.36 51.96 2nsq s GLN 62 Cb -0.03 -1.29 0.13 0.00 -1.09 0.00 0.00 33.01 30.74 2nsq s GLN 62 CO 0.07 0.27 1.17 0.95 -1.32 0.00 0.00 175.29 176.43 2nsq s THR 63 N -1.88 1.98 0.74 3.63 -4.23 0.43 -4.98 115.64 111.34 2nsq s THR 63 Ca 0.13 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.50 2nsq s THR 63 Cb -0.06 -2.85 0.05 0.00 1.34 0.00 0.00 72.50 70.98 2nsq s THR 63 CO 0.06 0.00 1.19 -1.59 -0.54 0.00 0.00 174.62 173.74 2nsq s LYS 64 N -5.45 2.08 -0.05 3.99 -2.85 -1.26 -4.62 119.74 111.58 2nsq s LYS 64 Ca 0.65 1.70 -0.24 0.00 -1.00 0.00 0.00 55.97 57.08 2nsq s LYS 64 Cb -0.12 -1.83 -0.04 0.00 -2.06 0.00 0.00 37.83 33.78 2nsq s LYS 64 CO 0.52 -1.86 0.72 0.99 0.10 0.00 0.00 175.35 175.82 2nsq s THR 65 N -2.10 5.00 -0.16 3.79 2.01 -1.26 -4.50 115.64 118.41 2nsq s THR 65 Ca 0.73 1.50 -0.12 0.00 0.31 0.00 0.00 61.69 64.10 2nsq s THR 65 Cb -0.28 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 2nsq s THR 65 CO 0.46 0.27 0.23 -0.63 -0.69 0.00 0.00 174.62 174.26 2nsq s ILE 66 N 0.67 5.34 0.21 1.82 -1.09 -0.04 -4.95 121.20 123.16 2nsq s ILE 66 Ca 0.38 0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 58.92 2nsq s ILE 66 Cb -0.18 -3.56 -0.08 0.00 -1.58 0.00 0.00 42.46 37.06 2nsq s ILE 66 CO 0.19 0.44 0.99 -0.54 -1.23 0.00 0.00 174.94 174.80 2nsq s LYS 67 N 0.18 4.75 -1.06 2.79 -0.14 -1.26 -2.45 119.74 122.55 2nsq s LYS 67 Ca 0.14 1.56 -0.15 0.00 -1.36 0.00 0.00 55.97 56.17 2nsq s LYS 67 Cb -0.12 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.72 2nsq s LYS 67 CO 0.03 0.34 0.80 1.63 -0.76 0.00 0.00 175.35 177.38 2nsq n LYS 68 N 1.89 -1.44 -3.60 1.68 4.01 -0.29 -4.94 118.16 115.46 2nsq n LYS 68 Ca -0.00 0.66 -0.16 0.00 -0.51 0.00 0.00 58.31 58.30 2nsq n LYS 68 Cb 0.47 -4.50 -0.07 0.00 -0.51 0.00 0.00 35.03 30.42 2nsq n LYS 68 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2nsq s THR 69 N -3.37 0.02 -1.18 -0.18 -1.32 -0.19 -4.95 115.64 104.47 2nsq s THR 69 Ca 0.39 -0.18 0.13 0.00 -1.21 0.00 0.00 61.69 60.83 2nsq s THR 69 Cb -0.12 -0.88 0.38 0.00 -1.51 0.00 0.00 72.50 70.36 2nsq s THR 69 CO 0.83 -0.10 1.31 0.18 -2.21 0.00 0.00 174.62 174.63 2nsq n LEU 70 N 0.93 3.14 -2.98 9.08 4.77 -1.26 -4.52 117.00 126.16 2nsq n LEU 70 Ca -0.20 -1.97 -0.15 0.00 -0.03 0.00 0.00 56.01 53.66 2nsq n LEU 70 Cb 0.57 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 2nsq n LEU 70 CO 0.23 0.78 -0.19 0.59 -1.33 0.00 0.00 177.39 177.47 2nsq n ASN 71 N 0.78 1.07 -4.76 -1.43 4.13 -1.26 -1.85 115.26 111.94 2nsq n ASN 71 Ca 0.14 -2.90 -0.41 0.00 1.68 0.00 0.00 54.58 53.10 2nsq n ASN 71 Cb 0.47 -0.59 -0.03 0.00 -1.54 0.00 0.00 39.78 38.10 2nsq n ASN 71 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2nsq s PRO 72 N -2.70 4.45 -0.30 3.52 0.04 -1.13 -4.80 135.00 134.08 2nsq s PRO 72 Ca 0.35 2.07 -0.05 0.00 0.04 0.00 0.00 61.00 63.41 2nsq s PRO 72 Cb 0.39 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.84 2nsq s PRO 72 CO -0.03 -0.07 0.04 0.15 0.04 0.00 0.00 177.00 177.13 2nsq s LYS 73 N -1.51 2.71 -0.21 4.56 3.01 -1.26 -0.65 119.74 126.40 2nsq s LYS 73 Ca 0.48 -1.09 -0.11 0.00 -1.01 0.00 0.00 55.97 54.24 2nsq s LYS 73 Cb -0.37 -3.29 -0.19 0.00 -1.01 0.00 0.00 37.83 32.97 2nsq s LYS 73 CO 0.48 -0.56 0.06 0.91 0.51 0.00 0.00 175.35 176.74 2nsq n TRP 74 N 4.75 0.69 -3.92 3.18 8.01 0.22 -4.97 117.44 125.39 2nsq n TRP 74 Ca -0.14 0.21 -0.25 0.00 -1.31 0.00 0.00 57.50 56.01 2nsq n TRP 74 Cb 0.45 -1.08 -0.01 0.00 -2.01 0.00 0.00 31.31 28.66 2nsq n TRP 74 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 2nsq n ASN 75 N -3.88 -0.58 -4.50 -0.99 5.03 -0.16 -4.99 115.26 105.19 2nsq n ASN 75 Ca -0.39 -0.97 -0.32 0.00 0.87 0.00 0.00 54.58 53.76 2nsq n ASN 75 Cb 0.90 -3.22 -0.12 0.00 -1.02 0.00 0.00 39.78 36.32 2nsq n ASN 75 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2nsq s GLU 76 N -6.47 2.43 0.00 3.52 2.02 -0.55 -4.95 118.70 114.70 2nsq s GLU 76 Ca 0.03 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.32 2nsq s GLU 76 Cb -0.02 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 2nsq s GLU 76 CO 0.88 0.61 -0.13 -2.00 0.02 0.00 0.00 175.26 174.63 2nsq s GLU 77 N -0.99 2.37 0.01 1.61 2.12 -1.26 -0.04 118.70 122.52 2nsq s GLU 77 Ca 0.13 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.66 2nsq s GLU 77 Cb -0.11 -2.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.92 2nsq s GLU 77 CO 0.03 0.59 -0.02 -0.06 -0.54 0.00 0.00 175.26 175.25 2nsq s PHE 78 N -0.89 0.22 -0.14 5.30 0.08 0.13 -4.99 117.98 117.68 2nsq s PHE 78 Ca 0.15 -0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.02 2nsq s PHE 78 Cb -0.11 -0.14 -0.02 0.00 -0.57 0.00 0.00 43.02 42.19 2nsq s PHE 78 CO 0.05 -0.04 -0.11 0.71 -0.10 0.00 0.00 175.22 175.73 2nsq s TYR 79 N -0.42 2.86 0.09 0.36 2.02 -1.25 -0.40 117.35 120.60 2nsq s TYR 79 Ca -0.03 -0.63 0.07 0.00 -0.37 0.00 0.00 57.07 56.11 2nsq s TYR 79 Cb -0.03 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 2nsq s TYR 79 CO -0.00 -0.23 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.56 2nsq s PHE 80 N 0.48 2.67 -0.30 2.71 0.08 0.87 -0.69 117.98 123.80 2nsq s PHE 80 Ca -0.08 -0.19 -0.14 0.00 0.12 0.00 0.00 56.93 56.64 2nsq s PHE 80 Cb -0.15 -1.43 -0.03 0.00 -0.57 0.00 0.00 43.02 40.84 2nsq s PHE 80 CO 0.04 0.38 0.33 0.50 -0.10 0.00 0.00 175.22 176.37 2nsq s ARG 81 N -2.00 3.80 0.07 0.44 3.52 0.01 -0.94 118.95 123.85 2nsq s ARG 81 Ca 0.19 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 2nsq s ARG 81 Cb -0.11 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 2nsq s ARG 81 CO 0.11 -0.36 -0.05 0.14 -0.81 0.00 0.00 175.30 174.33 2nsq s VAL 82 N 1.97 0.45 -0.35 7.11 -7.23 -0.18 -4.74 120.40 117.43 2nsq s VAL 82 Ca 0.12 -1.85 -0.08 0.00 -1.81 0.00 0.00 61.98 58.35 2nsq s VAL 82 Cb -0.16 -1.57 0.04 0.00 0.56 0.00 0.00 36.38 35.24 2nsq s VAL 82 CO 0.11 -0.93 0.15 0.21 -0.31 0.00 0.00 175.10 174.33 2nsq s ASN 83 N -2.94 5.49 0.46 4.85 3.84 -1.26 -0.20 114.94 125.17 2nsq s ASN 83 Ca 0.09 -1.10 0.17 0.00 0.21 0.00 0.00 52.86 52.23 2nsq s ASN 83 Cb 0.06 -1.93 1.09 0.00 -0.55 0.00 0.00 41.25 39.92 2nsq s ASN 83 CO -0.07 -0.36 2.01 -0.65 -2.79 0.00 0.00 177.10 175.24 2nsq h PRO 84 N 8.31 0.00 0.00 0.43 0.11 -1.86 -1.83 132.00 137.16 2nsq h PRO 84 Ca -0.24 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.81 2nsq h PRO 84 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2nsq h PRO 84 CO 0.63 0.17 -0.40 0.66 -0.21 0.00 0.00 178.00 178.85 2nsq h SER 85 N 0.00 0.00 0.00 -2.05 4.64 -1.91 -2.53 113.55 111.70 2nsq h SER 85 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nsq h SER 85 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2nsq h SER 85 CO 0.02 0.25 0.00 0.59 -0.87 0.00 0.00 176.83 176.83 2nsq n ASN 86 N -3.10 0.31 -4.71 4.97 3.02 -1.07 -4.93 115.26 109.75 2nsq n ASN 86 Ca 0.02 -0.69 -0.23 0.00 -0.03 0.00 0.00 54.58 53.66 2nsq n ASN 86 Cb 0.64 0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 39.98 2nsq n ASN 86 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2nsq s HIS 87 N -0.23 2.85 0.06 3.10 3.76 -0.71 -0.21 115.29 123.90 2nsq s HIS 87 Ca 0.00 -0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 54.73 2nsq s HIS 87 Cb 0.00 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.38 2nsq s HIS 87 CO 0.00 0.58 -0.04 1.03 -0.85 0.00 0.00 174.74 175.47 2nsq s ARG 88 N -3.69 0.64 -0.17 1.40 0.52 -0.17 -3.44 118.95 114.05 2nsq s ARG 88 Ca 0.32 -1.23 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 2nsq s ARG 88 Cb -0.07 0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.56 2nsq s ARG 88 CO 0.22 -0.09 -0.19 -1.17 0.02 0.00 0.00 175.30 174.08 2nsq s LEU 89 N -2.91 2.01 -0.14 2.53 2.96 -0.27 -1.40 118.68 121.47 2nsq s LEU 89 Ca 0.07 -0.60 -0.14 0.00 -0.22 0.00 0.00 54.13 53.24 2nsq s LEU 89 Cb 0.07 -1.40 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 2nsq s LEU 89 CO -0.09 -0.00 0.31 -0.22 -1.32 0.00 0.00 176.35 175.02 2nsq s LEU 90 N 1.28 4.28 -0.20 -0.68 2.96 0.06 -0.50 118.68 125.88 2nsq s LEU 90 Ca 0.04 0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 54.49 2nsq s LEU 90 Cb -0.13 -2.40 -0.00 0.00 0.50 0.00 0.00 46.19 44.16 2nsq s LEU 90 CO -0.11 0.14 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.61 2nsq s PHE 91 N 0.22 2.90 -0.08 5.38 0.08 0.76 -0.60 117.98 126.65 2nsq s PHE 91 Ca 0.18 -1.01 0.05 0.00 0.12 0.00 0.00 56.93 56.27 2nsq s PHE 91 Cb -0.13 -2.03 -0.00 0.00 -0.57 0.00 0.00 43.02 40.28 2nsq s PHE 91 CO 0.05 -0.54 -0.24 -1.21 -0.10 0.00 0.00 175.22 173.19 2nsq s GLU 92 N 1.26 2.72 -0.16 0.44 2.02 0.11 -0.90 118.70 124.20 2nsq s GLU 92 Ca 0.03 -0.87 -0.13 0.00 0.02 0.00 0.00 54.97 54.02 2nsq s GLU 92 Cb -0.14 -2.18 -0.05 0.00 0.10 0.00 0.00 34.13 31.86 2nsq s GLU 92 CO -0.04 0.28 0.25 0.08 0.02 0.00 0.00 175.26 175.85 2nsq s VAL 93 N 0.09 5.33 0.10 2.63 1.01 0.13 -0.37 120.40 129.32 2nsq s VAL 93 Ca -0.11 0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.40 2nsq s VAL 93 Cb -0.16 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2nsq s VAL 93 CO 0.06 0.42 -0.17 -0.36 0.00 0.00 0.00 175.10 175.05 2nsq s PHE 94 N 0.29 1.50 -0.40 5.22 0.08 -0.18 0.22 117.98 124.72 2nsq s PHE 94 Ca 0.15 -0.46 -0.17 0.00 0.12 0.00 0.00 56.93 56.57 2nsq s PHE 94 Cb -0.13 -0.81 0.01 0.00 -0.57 0.00 0.00 43.02 41.52 2nsq s PHE 94 CO 0.03 0.15 0.42 0.34 -0.10 0.00 0.00 175.22 176.05 2nsq s ASP 95 N -2.01 6.19 0.10 1.36 2.15 0.57 -1.10 116.67 123.94 2nsq s ASP 95 Ca 0.04 -0.55 -0.31 0.00 0.43 0.00 0.00 52.55 52.16 2nsq s ASP 95 Cb -0.09 -2.22 -0.07 0.00 -0.30 0.00 0.00 42.92 40.25 2nsq s ASP 95 CO 0.03 -0.52 1.23 -0.70 -0.17 0.00 0.00 175.17 175.04 2nsq s GLU 96 N 2.10 4.43 0.10 4.34 2.12 0.44 -1.12 118.70 131.12 2nsq s GLU 96 Ca 0.12 1.84 0.07 0.00 0.36 0.00 0.00 54.97 57.37 2nsq s GLU 96 Cb -0.17 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 2nsq s GLU 96 CO 0.13 -0.24 -0.19 -0.80 -0.54 0.00 0.00 175.26 173.63 2nsq s ASN 97 N 0.81 2.33 -0.06 -1.70 0.01 -1.26 -4.53 114.94 110.54 2nsq s ASN 97 Ca 0.58 -0.69 -0.23 0.00 -0.71 0.00 0.00 52.86 51.81 2nsq s ASN 97 Cb -0.31 -0.12 -0.27 0.00 0.41 0.00 0.00 41.25 40.96 2nsq s ASN 97 CO 0.31 0.01 0.95 -0.09 -1.51 0.00 0.00 177.10 176.77 2nsq h ARG 98 N 4.05 0.23 -0.01 -0.60 2.43 -1.96 -3.40 114.38 115.12 2nsq h ARG 98 Ca -0.44 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.41 2nsq h ARG 98 Cb 1.19 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2nsq h ARG 98 CO 0.41 1.09 -0.08 1.28 -1.51 0.00 0.00 179.97 181.16 2nsq n LEU 99 N -4.33 1.49 -4.32 3.80 4.77 -1.26 -4.98 117.00 112.17 2nsq n LEU 99 Ca -0.11 -0.90 -0.17 0.00 -0.03 0.00 0.00 56.01 54.80 2nsq n LEU 99 Cb 0.65 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.64 2nsq n LEU 99 CO 0.43 0.30 -0.34 0.42 -1.33 0.00 0.00 177.39 176.86 2nsq s THR 100 N -0.98 1.09 0.39 -5.08 -4.23 -1.26 -5.13 115.64 100.45 2nsq s THR 100 Ca 0.09 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.30 2nsq s THR 100 Cb 0.07 -2.28 -0.11 0.00 1.34 0.00 0.00 72.50 71.53 2nsq s THR 100 CO 0.16 -0.38 1.19 -1.14 -0.54 0.00 0.00 174.62 173.91 2nsq n ARG 101 N -0.40 1.78 -1.74 3.99 0.63 -1.26 -4.46 116.66 115.20 2nsq n ARG 101 Ca -0.06 0.63 -0.42 0.00 -0.92 0.00 0.00 57.85 57.09 2nsq n ARG 101 Cb 0.63 -2.25 -0.01 0.00 0.45 0.00 0.00 32.46 31.28 2nsq n ARG 101 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2nsq n ASP 102 N 0.47 3.64 -4.72 6.15 8.00 -1.26 -4.70 116.55 124.13 2nsq n ASP 102 Ca 0.07 1.18 -0.40 0.00 0.71 0.00 0.00 54.79 56.35 2nsq n ASP 102 Cb 0.38 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.12 39.86 2nsq n ASP 102 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2nsq s ASP 103 N 0.20 7.01 0.12 -2.24 1.01 -0.27 -4.84 116.67 117.65 2nsq s ASP 103 Ca 0.60 1.22 -0.31 0.00 0.71 0.00 0.00 52.55 54.77 2nsq s ASP 103 Cb -0.51 -2.42 -0.08 0.00 1.01 0.00 0.00 42.92 40.92 2nsq s ASP 103 CO 0.55 -0.11 1.36 0.12 0.21 0.00 0.00 175.17 177.30 2nsq s PHE 104 N 0.75 3.27 -0.36 4.23 5.36 -1.26 -0.31 117.98 129.65 2nsq s PHE 104 Ca 0.38 1.02 0.05 0.00 -0.96 0.00 0.00 56.93 57.41 2nsq s PHE 104 Cb -0.18 -3.64 -0.02 0.00 -0.34 0.00 0.00 43.02 38.84 2nsq s PHE 104 CO 0.19 -2.21 0.36 1.28 -1.46 0.00 0.00 175.22 173.37 2nsq n LEU 105 N 3.83 0.64 0.00 6.12 4.77 0.13 -4.92 117.00 127.57 2nsq n LEU 105 Ca 0.11 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 2nsq n LEU 105 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2nsq n LEU 105 CO 0.58 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2nsq n GLY 106 N 0.81 3.54 3.11 -0.72 0.00 -1.22 -4.52 105.19 106.19 2nsq n GLY 106 Ca 0.02 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 2nsq n GLY 106 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2nsq s GLN 107 N -2.40 0.68 -0.05 1.61 -2.07 0.21 -0.69 119.66 116.95 2nsq s GLN 107 Ca 0.00 -1.24 0.00 0.00 -1.82 0.00 0.00 55.36 52.31 2nsq s GLN 107 Cb 0.00 0.23 0.02 0.00 -1.09 0.00 0.00 33.01 32.17 2nsq s GLN 107 CO 0.00 -0.15 -0.02 0.08 -1.32 0.00 0.00 175.29 173.88 2nsq s VAL 108 N -3.94 0.41 -0.26 3.63 1.01 -0.07 -0.68 120.40 120.50 2nsq s VAL 108 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 2nsq s VAL 108 Cb 0.08 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 36.00 2nsq s VAL 108 CO -0.08 0.22 -0.04 -0.62 0.00 0.00 0.00 175.10 174.58 2nsq s ASP 109 N 1.26 4.46 -0.17 3.32 2.15 -1.26 -0.17 116.67 126.26 2nsq s ASP 109 Ca -0.06 -0.89 -0.03 0.00 0.43 0.00 0.00 52.55 52.00 2nsq s ASP 109 Cb -0.13 -1.69 -0.02 0.00 -0.30 0.00 0.00 42.92 40.77 2nsq s ASP 109 CO -0.02 -0.15 -0.05 0.54 -0.17 0.00 0.00 175.17 175.32 2nsq s VAL 110 N 1.34 3.62 0.48 1.11 0.11 0.35 -4.96 120.40 122.45 2nsq s VAL 110 Ca -0.00 -0.44 -0.21 0.00 -2.93 0.00 0.00 61.98 58.40 2nsq s VAL 110 Cb -0.17 -2.60 -0.08 0.00 -1.53 0.00 0.00 36.38 32.00 2nsq s VAL 110 CO -0.03 0.47 1.05 -2.16 -3.33 0.00 0.00 175.10 171.10 2nsq s PRO 111 N 0.70 3.79 0.00 1.54 0.04 -1.26 -1.11 135.00 138.70 2nsq s PRO 111 Ca -0.03 1.41 0.19 0.00 0.04 0.00 0.00 61.00 62.61 2nsq s PRO 111 Cb -0.15 -2.13 0.35 0.00 0.04 0.00 0.00 34.50 32.61 2nsq s PRO 111 CO 0.02 -0.45 1.29 1.28 0.04 0.00 0.00 177.00 179.18 2nsq n LEU 112 N -0.90 3.14 0.16 -3.56 4.77 -1.22 -4.61 117.00 114.78 2nsq n LEU 112 Ca 0.09 -1.53 0.04 0.00 -0.03 0.00 0.00 56.01 54.57 2nsq n LEU 112 Cb 0.52 -0.21 0.21 0.00 -2.33 0.00 0.00 43.42 41.60 2nsq n LEU 112 CO 0.40 0.69 0.58 0.77 -1.33 0.00 0.00 177.39 178.50 2nsq h SER 113 N 3.64 0.00 -0.27 -1.43 4.64 -1.74 -3.33 113.55 115.06 2nsq h SER 113 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 2nsq h SER 113 Cb 0.86 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.69 2nsq h SER 113 CO 0.00 0.46 -0.79 1.41 -0.87 0.00 0.00 176.83 177.04 2nsq n HIS 114 N -3.43 0.95 -2.51 4.77 8.25 -1.26 -4.94 115.22 117.06 2nsq n HIS 114 Ca 0.00 -1.60 -0.32 0.00 -0.26 0.00 0.00 57.72 55.55 2nsq n HIS 114 Cb 0.61 -0.25 -0.04 0.00 1.12 0.00 0.00 29.99 31.42 2nsq n HIS 114 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2nsq s LEU 115 N -2.77 3.71 0.90 2.41 1.43 -1.25 -5.05 118.68 118.06 2nsq s LEU 115 Ca 0.39 1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 54.97 2nsq s LEU 115 Cb 0.38 -4.52 0.13 0.00 0.03 0.00 0.00 46.19 42.21 2nsq s LEU 115 CO -0.06 -0.53 1.11 -2.16 0.23 0.00 0.00 176.35 174.95 2nsq s PRO 116 N -3.83 1.20 -0.07 1.29 0.04 -1.26 -4.80 135.00 127.57 2nsq s PRO 116 Ca 0.60 0.54 0.06 0.00 0.04 0.00 0.00 61.00 62.23 2nsq s PRO 116 Cb -0.10 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2nsq s PRO 116 CO 0.26 -2.21 -0.25 0.99 0.04 0.00 0.00 177.00 175.83 2nsq s THR 117 N -3.10 2.07 -0.26 1.26 2.01 -1.26 -0.57 115.64 115.79 2nsq s THR 117 Ca 0.63 -1.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 2nsq s THR 117 Cb -0.16 -1.75 0.11 0.00 0.01 0.00 0.00 72.50 70.70 2nsq s THR 117 CO 0.55 0.57 0.58 -0.70 -0.69 0.00 0.00 174.62 174.93 2nsq s GLU 118 N -0.07 0.51 0.21 4.92 2.12 -0.01 -4.88 118.70 121.51 2nsq s GLU 118 Ca -0.06 1.29 -0.32 0.00 0.36 0.00 0.00 54.97 56.24 2nsq s GLU 118 Cb -0.15 0.62 -0.12 0.00 0.26 0.00 0.00 34.13 34.75 2nsq s GLU 118 CO 0.05 -0.21 1.70 -3.47 -0.54 0.00 0.00 175.26 172.79 2nsq n ASP 119 N 5.28 3.93 -4.68 -1.70 4.64 -1.26 -4.42 116.55 118.34 2nsq n ASP 119 Ca -0.12 1.07 -0.42 0.00 -1.38 0.00 0.00 54.79 53.94 2nsq n ASP 119 Cb 0.50 -1.57 -0.03 0.00 -1.04 0.00 0.00 41.12 38.99 2nsq n ASP 119 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 2nsq s PRO 120 N 1.00 4.17 0.00 -0.67 0.02 -1.26 -5.08 135.00 133.18 2nsq s PRO 120 Ca 0.74 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.18 2nsq s PRO 120 Cb -0.52 -3.69 0.00 0.00 0.02 0.00 0.00 34.50 30.32 2nsq s PRO 120 CO 0.34 -0.79 0.00 0.66 -0.33 0.00 0.00 177.00 176.88 2nsq n TYR 126 N 5.95 0.00 -0.49 6.54 4.02 -1.26 -5.26 117.16 126.65 2nsq n TYR 126 Ca 0.17 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.15 2nsq n TYR 126 Cb 0.40 -0.04 0.30 0.00 -0.02 0.00 0.00 39.34 39.98 2nsq n TYR 126 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2nsq n THR 127 N 0.80 1.46 -1.25 -0.72 -2.24 -1.26 -4.95 114.28 106.12 2nsq n THR 127 Ca 0.00 -1.15 -0.29 0.00 -2.27 0.00 0.00 64.05 60.34 2nsq n THR 127 Cb 0.00 0.28 0.16 0.00 -2.10 0.00 0.00 70.33 68.68 2nsq n THR 127 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2nsq s PHE 128 N -1.50 2.22 0.02 4.78 -0.12 -1.26 -4.79 117.98 117.32 2nsq s PHE 128 Ca 0.45 0.99 0.03 0.00 -0.05 0.00 0.00 56.93 58.35 2nsq s PHE 128 Cb 0.27 -3.27 -0.02 0.00 -0.63 0.00 0.00 43.02 39.37 2nsq s PHE 128 CO 0.25 -2.72 -0.09 0.15 -0.05 0.00 0.00 175.22 172.76 2nsq s LYS 129 N -5.03 0.61 -0.48 1.99 3.01 -0.14 -4.97 119.74 114.73 2nsq s LYS 129 Ca 0.65 -0.56 -0.17 0.00 -1.01 0.00 0.00 55.97 54.88 2nsq s LYS 129 Cb -0.18 -0.52 0.06 0.00 -1.01 0.00 0.00 37.83 36.19 2nsq s LYS 129 CO 0.57 0.12 0.47 -0.51 0.51 0.00 0.00 175.35 176.51 2nsq s ASP 130 N -0.94 6.17 -0.04 2.83 1.01 -1.26 -1.50 116.67 122.94 2nsq s ASP 130 Ca -0.03 -1.15 -0.24 0.00 0.71 0.00 0.00 52.55 51.84 2nsq s ASP 130 Cb -0.07 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 2nsq s ASP 130 CO 0.00 -0.71 0.72 -0.36 0.21 0.00 0.00 175.17 175.04 2nsq s PHE 131 N 1.97 3.61 0.01 4.23 0.08 0.10 -4.84 117.98 123.15 2nsq s PHE 131 Ca 0.08 1.31 -0.30 0.00 0.12 0.00 0.00 56.93 58.14 2nsq s PHE 131 Cb -0.22 -2.82 -0.08 0.00 -0.57 0.00 0.00 43.02 39.33 2nsq s PHE 131 CO 0.09 0.13 1.78 -1.17 -0.10 0.00 0.00 175.22 175.94 2nsq s LEU 132 N 0.62 4.38 0.31 -0.37 2.96 -1.26 -0.79 118.68 124.53 2nsq s LEU 132 Ca 0.38 2.48 -0.29 0.00 -0.22 0.00 0.00 54.13 56.48 2nsq s LEU 132 Cb -0.18 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 2nsq s LEU 132 CO 0.20 -0.97 1.36 -0.76 -1.32 0.00 0.00 176.35 174.85 2nsq s LEU 133 N 3.84 4.41 0.11 -0.68 1.43 -0.47 -4.78 118.68 122.53 2nsq s LEU 133 Ca 0.80 2.71 0.09 0.00 -1.03 0.00 0.00 54.13 56.70 2nsq s LEU 133 Cb -0.39 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 2nsq s LEU 133 CO 0.35 -0.61 -0.20 -0.13 0.23 0.00 0.00 176.35 175.99 2nsq s ARG 134 N -1.41 1.74 0.81 1.70 1.81 0.15 -4.71 118.95 119.03 2nsq s ARG 134 Ca 0.52 -1.19 -0.11 0.00 -1.72 0.00 0.00 55.73 53.24 2nsq s ARG 134 Cb -0.41 -2.07 0.08 0.00 -0.45 0.00 0.00 34.95 32.10 2nsq s ARG 134 CO 0.51 0.48 1.09 -1.25 -0.68 0.00 0.00 175.30 175.45 2nsq s PRO 135 N -1.99 1.99 0.14 3.54 0.04 -1.26 -0.62 135.00 136.84 2nsq s PRO 135 Ca 0.16 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 2nsq s PRO 135 Cb -0.10 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 2nsq s PRO 135 CO 0.08 -1.77 1.54 0.00 0.04 0.00 0.00 177.00 176.89 2nsq h ARG 136 N -1.21 0.86 -6.55 4.56 3.08 -1.96 -3.45 114.38 109.71 2nsq h ARG 136 Ca -0.46 -0.35 -0.63 0.00 0.07 0.00 0.00 59.98 58.61 2nsq h ARG 136 Cb 1.25 -0.04 -0.20 0.00 0.08 0.00 0.00 29.97 31.06 2nsq h ARG 136 CO 0.54 0.99 -0.84 -1.54 -1.07 0.00 0.00 179.97 178.05 2nsq s SER 137 N -6.52 3.12 0.65 7.04 1.04 -1.26 -5.01 113.70 112.77 2nsq s SER 137 Ca -0.12 -0.79 0.22 0.00 0.48 0.00 0.00 55.95 55.74 2nsq s SER 137 Cb 0.11 -0.21 1.15 0.00 0.10 0.00 0.00 66.02 67.17 2nsq s SER 137 CO 0.84 0.11 1.64 1.12 0.98 0.00 0.00 173.24 177.93 2nsq h HIS 138 N 3.63 0.00 -0.00 5.02 2.07 -2.02 -2.13 115.15 121.72 2nsq h HIS 138 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2nsq h HIS 138 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 2nsq h HIS 138 CO 0.64 0.00 -0.13 1.63 -3.07 0.00 0.00 177.93 177.00 2nsq n LYS 139 N -2.90 0.28 -4.42 5.12 5.02 -1.26 -4.86 118.16 115.15 2nsq n LYS 139 Ca 0.01 -0.07 -0.27 0.00 -2.02 0.00 0.00 58.31 55.95 2nsq n LYS 139 Cb 0.63 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.06 2nsq n LYS 139 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2nsq s SER 140 N -2.77 4.16 0.02 4.39 0.01 -0.80 -5.15 113.70 113.56 2nsq s SER 140 Ca 0.20 -1.30 0.01 0.00 1.31 0.00 0.00 55.95 56.18 2nsq s SER 140 Cb 0.19 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 2nsq s SER 140 CO 0.53 -0.58 -0.05 -0.13 0.41 0.00 0.00 173.24 173.43 2nsq s ARG 141 N -3.84 0.37 0.10 12.44 0.52 -1.26 -4.74 118.95 122.53 2nsq s ARG 141 Ca 0.33 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.99 2nsq s ARG 141 Cb 0.06 -0.11 -0.00 0.00 0.52 0.00 0.00 34.95 35.41 2nsq s ARG 141 CO 0.18 0.01 0.03 1.33 0.02 0.00 0.00 175.30 176.87 2nsq n VAL 142 N 1.86 0.00 -3.88 3.52 0.24 -1.26 -4.93 118.33 113.87 2nsq n VAL 142 Ca -0.21 -0.55 -0.09 0.00 -2.04 0.00 0.00 64.34 61.45 2nsq n VAL 142 Cb 0.56 0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 33.05 2nsq n VAL 142 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2nsq s LYS 143 N -2.36 1.03 0.66 7.34 -2.85 -1.26 -4.99 119.74 117.31 2nsq s LYS 143 Ca 0.05 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 53.99 2nsq s LYS 143 Cb 0.00 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 2nsq s LYS 143 CO 0.03 -0.36 0.00 0.41 0.10 0.00 0.00 175.35 175.53 2nsq n GLY 144 N -0.16 -1.97 3.18 0.59 0.00 -1.21 -4.25 105.19 101.38 2nsq n GLY 144 Ca -0.11 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 2nsq n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nsq s PHE 145 N -0.01 1.01 -0.15 1.61 0.08 -0.32 -1.37 117.98 118.83 2nsq s PHE 145 Ca 0.00 -0.78 0.02 0.00 0.12 0.00 0.00 56.93 56.28 2nsq s PHE 145 Cb 0.00 -0.56 0.02 0.00 -0.57 0.00 0.00 43.02 41.91 2nsq s PHE 145 CO 0.00 -0.05 -0.19 -1.17 -0.10 0.00 0.00 175.22 173.71 2nsq s LEU 146 N -2.81 1.96 -0.27 -0.37 2.96 0.03 -0.70 118.68 119.47 2nsq s LEU 146 Ca 0.10 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.28 2nsq s LEU 146 Cb 0.01 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 2nsq s LEU 146 CO -0.02 0.02 0.45 -0.60 -1.32 0.00 0.00 176.35 174.88 2nsq s ARG 147 N 1.11 4.00 0.05 1.98 3.52 0.07 0.01 118.95 129.70 2nsq s ARG 147 Ca -0.01 0.14 0.04 0.00 -0.13 0.00 0.00 55.73 55.77 2nsq s ARG 147 Cb -0.14 -3.67 -0.02 0.00 -1.56 0.00 0.00 34.95 29.56 2nsq s ARG 147 CO -0.07 -0.34 -0.12 -0.51 -0.81 0.00 0.00 175.30 173.45 2nsq s LEU 148 N 2.20 2.21 -0.06 -0.88 1.43 -0.56 -0.81 118.68 122.21 2nsq s LEU 148 Ca 0.18 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 2nsq s LEU 148 Cb -0.16 -0.45 -0.00 0.00 0.03 0.00 0.00 46.19 45.61 2nsq s LEU 148 CO 0.10 -0.06 -0.20 -0.75 0.23 0.00 0.00 176.35 175.67 2nsq s LYS 149 N -1.36 2.22 -0.09 1.70 2.20 -0.61 -0.97 119.74 122.82 2nsq s LYS 149 Ca -0.02 -0.74 -0.05 0.00 -0.36 0.00 0.00 55.97 54.81 2nsq s LYS 149 Cb -0.09 -1.86 0.04 0.00 -1.51 0.00 0.00 37.83 34.42 2nsq s LYS 149 CO 0.01 0.27 0.21 -1.64 -0.36 0.00 0.00 175.35 173.84 2nsq s MET 150 N 0.06 0.17 -0.20 4.03 -1.94 -1.26 -0.58 119.30 119.59 2nsq s MET 150 Ca -0.07 0.46 -0.27 0.00 -1.71 0.00 0.00 55.69 54.10 2nsq s MET 150 Cb -0.14 -0.11 0.07 0.00 2.01 0.00 0.00 34.83 36.66 2nsq s MET 150 CO 0.04 -0.15 0.71 0.00 -0.01 0.00 0.00 175.02 175.60 2nsq s ALA 151 N 1.11 -1.77 0.44 3.03 0.00 -0.63 -4.48 121.76 119.46 2nsq s ALA 151 Ca -0.08 1.79 -0.24 0.00 0.00 0.00 0.00 51.96 53.43 2nsq s ALA 151 Cb -0.10 -0.78 -0.08 0.00 0.00 0.00 0.00 23.12 22.17 2nsq s ALA 151 CO -0.07 -0.35 1.16 0.71 0.00 0.00 0.00 175.76 177.22 2nsq s TYR 152 N -0.15 2.96 0.22 0.00 2.02 0.26 -1.52 117.35 121.12 2nsq s TYR 152 Ca -0.04 1.54 -0.30 0.00 -0.37 0.00 0.00 57.07 57.90 2nsq s TYR 152 Cb -0.03 -3.38 -0.09 0.00 -0.40 0.00 0.00 41.96 38.06 2nsq s TYR 152 CO 0.04 -1.41 1.39 -1.64 -1.57 0.00 0.00 175.55 172.36 2nsq s MET 153 N -2.55 4.32 0.00 -0.62 -1.94 0.46 -0.83 119.30 118.14 2nsq s MET 153 Ca 0.61 2.19 0.00 0.00 -1.71 0.00 0.00 55.69 56.78 2nsq s MET 153 Cb -0.29 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.39 2nsq s MET 153 CO 0.36 -0.36 0.18 -2.30 -0.01 0.00 0.00 175.02 172.89