#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1him s VAL 2 N 0.00 2.78 -0.10 3.84 1.01 -1.26 -4.19 120.40 122.49 1him s VAL 2 Ca 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.52 1him s VAL 2 Cb 0.00 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.13 1him s VAL 2 CO 0.00 -0.01 0.22 -1.10 0.00 0.00 0.00 175.10 174.21 1him s GLN 3 N -2.77 0.16 -0.15 2.72 -0.21 -1.08 -4.96 119.66 113.37 1him s GLN 3 Ca 0.66 0.54 -0.01 0.00 0.02 0.00 0.00 55.36 56.57 1him s GLN 3 Cb -0.32 -0.13 -0.01 0.00 1.00 0.00 0.00 33.01 33.54 1him s GLN 3 CO 0.39 -0.20 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.75 1him s LEU 4 N 1.52 2.82 -0.11 2.90 1.43 -1.26 -1.77 118.68 124.21 1him s LEU 4 Ca -0.07 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1him s LEU 4 Cb -0.11 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 1him s LEU 4 CO -0.08 0.13 -0.23 -0.69 0.23 0.00 0.00 176.35 175.71 1him s VAL 5 N 0.57 2.15 0.09 -1.59 1.01 -0.87 -3.56 120.40 118.20 1him s VAL 5 Ca -0.07 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1him s VAL 5 Cb -0.15 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1him s VAL 5 CO 0.03 0.56 0.20 -1.61 0.00 0.00 0.00 175.10 174.28 1him s GLU 6 N 0.40 3.30 0.15 2.72 8.01 -1.26 -2.44 118.70 129.58 1him s GLU 6 Ca -0.17 -0.56 -0.09 0.00 0.01 0.00 0.00 54.97 54.16 1him s GLU 6 Cb -0.18 -2.94 -0.01 0.00 -4.31 0.00 0.00 34.13 26.70 1him s GLU 6 CO 0.07 0.57 0.28 -1.12 0.01 0.00 0.00 175.26 175.07 1him s SER 7 N -2.71 0.04 0.00 -0.19 0.01 0.27 -4.80 113.70 106.33 1him s SER 7 Ca 0.34 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1him s SER 7 Cb -0.12 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1him s SER 7 CO 0.27 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.66 1him n GLY 8 N -0.19 2.67 2.36 3.44 0.00 -1.26 -1.16 105.19 111.05 1him n GLY 8 Ca -0.09 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1him n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1him n GLY 9 N 0.00 -1.42 0.00 -0.02 0.00 -1.26 -4.96 105.19 97.52 1him n GLY 9 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1him n GLY 9 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1him n ASP 10 N 1.47 0.00 -4.67 1.61 2.03 -1.06 -4.86 116.55 111.07 1him n ASP 10 Ca 0.11 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.05 1him n ASP 10 Cb 0.20 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.52 1him n ASP 10 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1him s LEU 11 N 0.00 4.14 0.01 -2.67 2.96 -1.26 -2.01 118.68 119.85 1him s LEU 11 Ca 0.00 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 1him s LEU 11 Cb 0.00 -2.31 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 1him s LEU 11 CO 0.00 -0.00 -0.04 0.54 -1.32 0.00 0.00 176.35 175.53 1him s VAL 12 N 1.17 0.26 0.66 1.68 0.11 0.47 -4.99 120.40 119.76 1him s VAL 12 Ca 0.13 -0.55 -0.17 0.00 -2.93 0.00 0.00 61.98 58.46 1him s VAL 12 Cb -0.14 -0.30 -0.00 0.00 -1.53 0.00 0.00 36.38 34.41 1him s VAL 12 CO 0.06 -0.20 1.20 -1.59 -3.33 0.00 0.00 175.10 171.24 1him s LYS 13 N -0.79 2.62 0.22 1.54 -2.85 -1.25 -0.15 119.74 119.07 1him s LYS 13 Ca -0.06 1.75 -0.31 0.00 -1.00 0.00 0.00 55.97 56.36 1him s LYS 13 Cb -0.06 -1.89 -0.10 0.00 -2.06 0.00 0.00 37.83 33.72 1him s LYS 13 CO -0.00 -1.47 1.51 -2.14 0.10 0.00 0.00 175.35 173.36 1him s PRO 14 N -3.65 4.23 0.00 1.78 0.02 -1.26 -2.45 135.00 133.66 1him s PRO 14 Ca 0.75 2.37 0.00 0.00 0.02 0.00 0.00 61.00 64.14 1him s PRO 14 Cb -0.29 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1him s PRO 14 CO 0.39 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 1him n GLY 15 N 2.83 3.42 0.00 0.52 0.00 0.37 -4.92 105.19 107.41 1him n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1him n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1him n GLY 16 N -1.84 -0.40 3.01 -0.02 0.00 -1.03 -3.69 105.19 101.22 1him n GLY 16 Ca 0.00 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 1him n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1him s SER 17 N -1.00 0.20 0.13 1.61 0.01 -1.26 -2.60 113.70 110.79 1him s SER 17 Ca 0.00 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.83 1him s SER 17 Cb 0.00 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 1him s SER 17 CO 0.00 -0.33 -0.06 -0.76 0.41 0.00 0.00 173.24 172.50 1him s LEU 18 N -1.51 2.41 -0.07 2.44 1.43 0.24 -5.00 118.68 118.62 1him s LEU 18 Ca -0.15 -1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 51.90 1him s LEU 18 Cb -0.09 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 46.03 1him s LEU 18 CO -0.01 -0.47 -0.03 -0.75 0.23 0.00 0.00 176.35 175.33 1him s LYS 19 N -3.84 0.86 0.13 1.70 2.20 -1.25 -0.24 119.74 119.29 1him s LYS 19 Ca 0.16 -0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.77 1him s LYS 19 Cb 0.05 -1.04 -0.04 0.00 -1.51 0.00 0.00 37.83 35.29 1him s LYS 19 CO -0.01 -0.22 0.20 -0.51 -0.36 0.00 0.00 175.35 174.45 1him s LEU 20 N 1.56 4.11 0.28 5.43 1.43 -0.81 -4.64 118.68 126.05 1him s LEU 20 Ca -0.01 0.08 0.11 0.00 -1.03 0.00 0.00 54.13 53.28 1him s LEU 20 Cb -0.13 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.33 1him s LEU 20 CO -0.04 0.09 -0.12 -0.44 0.23 0.00 0.00 176.35 176.07 1him s SER 21 N -2.96 3.94 -0.29 2.29 0.01 -0.31 -2.05 113.70 114.34 1him s SER 21 Ca 0.33 -0.90 -0.01 0.00 1.31 0.00 0.00 55.95 56.67 1him s SER 21 Cb -0.11 -0.50 0.13 0.00 0.21 0.00 0.00 66.02 65.75 1him s SER 21 CO 0.26 0.01 0.25 0.00 0.41 0.00 0.00 173.24 174.17 1him s ALA 23 N 2.30 3.33 0.06 0.00 0.00 -1.02 -0.82 121.76 125.60 1him s ALA 23 Ca 0.09 0.72 0.08 0.00 0.00 0.00 0.00 51.96 52.85 1him s ALA 23 Cb -0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1him s ALA 23 CO -0.34 -0.11 -0.19 0.00 0.00 0.00 0.00 175.76 175.12 1him s ALA 24 N -0.23 2.56 0.17 0.00 0.00 0.34 -2.06 121.76 122.54 1him s ALA 24 Ca 0.48 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1him s ALA 24 Cb -0.27 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1him s ALA 24 CO 0.33 0.57 0.17 -1.12 0.00 0.00 0.00 175.76 175.71 1him s SER 25 N -1.57 0.16 0.00 0.00 0.01 -0.73 -4.88 113.70 106.69 1him s SER 25 Ca 0.15 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1him s SER 25 Cb -0.10 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1him s SER 25 CO 0.06 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1him n GLY 26 N -0.20 0.51 3.27 3.44 0.00 -1.26 -2.62 105.19 108.32 1him n GLY 26 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1him n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1him s PHE 27 N -2.42 -0.16 -0.70 1.61 -0.71 -1.26 -4.50 117.98 109.83 1him s PHE 27 Ca 0.00 0.08 -0.26 0.00 -1.04 0.00 0.00 56.93 55.72 1him s PHE 27 Cb 0.00 0.13 -0.12 0.00 -1.21 0.00 0.00 43.02 41.82 1him s PHE 27 CO 0.00 -0.51 2.42 0.43 -1.34 0.00 0.00 175.22 176.22 1him n SER 28 N 0.64 1.88 -0.19 1.98 7.64 -1.26 -4.74 113.62 119.57 1him n SER 28 Ca -0.19 -1.15 -0.02 0.00 1.01 0.00 0.00 58.87 58.52 1him n SER 28 Cb 0.59 -1.61 0.04 0.00 -1.01 0.00 0.00 64.21 62.23 1him n SER 28 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1him h PHE 29 N 14.86 -0.46 0.00 1.43 3.57 -1.93 -1.87 116.94 132.54 1him h PHE 29 Ca -0.08 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1him h PHE 29 Cb 1.09 0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1him h PHE 29 CO 1.10 -0.29 0.02 0.43 -2.23 0.00 0.00 178.31 177.34 1him n SER 30 N -5.42 0.00 -0.08 0.41 7.64 -1.26 -0.42 113.62 114.49 1him n SER 30 Ca 0.06 0.13 0.07 0.00 1.01 0.00 0.00 58.87 60.15 1him n SER 30 Cb 0.33 -0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.33 1him n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1him n SER 31 N -1.08 0.90 -4.40 6.43 7.64 -0.70 -4.62 113.62 117.78 1him n SER 31 Ca 0.00 -0.95 -0.33 0.00 1.01 0.00 0.00 58.87 58.61 1him n SER 31 Cb 0.02 0.89 -0.14 0.00 -1.01 0.00 0.00 64.21 63.97 1him n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1him s TYR 32 N -2.29 2.69 0.93 1.43 2.02 0.44 -4.82 117.35 117.76 1him s TYR 32 Ca 0.07 -0.42 -0.14 0.00 -0.37 0.00 0.00 57.07 56.22 1him s TYR 32 Cb 0.12 -1.69 0.16 0.00 -0.40 0.00 0.00 41.96 40.14 1him s TYR 32 CO 0.56 -0.01 1.20 0.20 -1.57 0.00 0.00 175.55 175.93 1him s GLY 33 N -0.28 1.64 0.06 0.71 0.00 -1.26 -4.25 107.32 103.95 1him s GLY 33 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1him s GLY 33 CO 0.03 -0.17 -0.04 1.06 0.00 0.00 0.00 173.10 173.97 1him s MET 34 N -5.56 0.63 0.22 2.90 -1.94 -1.14 -2.79 119.30 111.62 1him s MET 34 Ca 0.67 -1.15 0.02 0.00 -1.71 0.00 0.00 55.69 53.52 1him s MET 34 Cb -0.10 0.05 -0.05 0.00 2.01 0.00 0.00 34.83 36.74 1him s MET 34 CO 0.52 -0.07 0.03 -1.12 -0.01 0.00 0.00 175.02 174.38 1him s SER 35 N -2.70 1.44 -0.01 3.03 0.01 -0.23 -1.07 113.70 114.17 1him s SER 35 Ca 0.05 -1.26 0.08 0.00 1.31 0.00 0.00 55.95 56.13 1him s SER 35 Cb 0.04 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.34 1him s SER 35 CO -0.07 -0.60 -0.26 0.26 0.41 0.00 0.00 173.24 172.98 1him s TRP 36 N -3.60 2.31 -0.02 2.43 0.52 -0.40 -2.03 118.94 118.14 1him s TRP 36 Ca 0.30 -0.43 0.01 0.00 0.02 0.00 0.00 56.10 56.00 1him s TRP 36 Cb 0.07 -1.47 0.01 0.00 -1.15 0.00 0.00 33.47 30.93 1him s TRP 36 CO 0.09 -0.01 -0.04 0.08 0.02 0.00 0.00 176.95 177.09 1him s VAL 37 N -0.64 0.37 -0.13 4.03 1.01 -0.45 -2.09 120.40 122.51 1him s VAL 37 Ca 0.10 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1him s VAL 37 Cb -0.10 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 1him s VAL 37 CO -0.00 0.14 0.22 -0.13 0.00 0.00 0.00 175.10 175.33 1him s ARG 38 N 0.38 3.87 -0.08 2.72 0.52 0.48 -0.45 118.95 126.39 1him s ARG 38 Ca -0.04 -0.01 0.04 0.00 -0.52 0.00 0.00 55.73 55.21 1him s ARG 38 Cb -0.08 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 32.09 1him s ARG 38 CO -0.00 0.53 -0.23 -1.14 0.02 0.00 0.00 175.30 174.48 1him s GLN 39 N -0.38 2.87 0.86 3.54 0.74 0.15 0.01 119.66 127.45 1him s GLN 39 Ca 0.15 -0.86 -0.10 0.00 0.05 0.00 0.00 55.36 54.60 1him s GLN 39 Cb -0.13 -2.28 0.17 0.00 1.10 0.00 0.00 33.01 31.87 1him s GLN 39 CO 0.04 0.28 1.19 0.95 -0.55 0.00 0.00 175.29 177.20 1him s THR 40 N 0.10 2.05 -1.17 -0.34 -4.23 0.88 -0.11 115.64 112.82 1him s THR 40 Ca -0.11 -0.24 0.23 0.00 -1.18 0.00 0.00 61.69 60.40 1him s THR 40 Cb -0.16 -2.81 0.28 0.00 1.34 0.00 0.00 72.50 71.15 1him s THR 40 CO 0.06 0.00 1.76 -2.65 -0.54 0.00 0.00 174.62 173.25 1him n PRO 41 N -3.39 0.13 -0.31 3.99 -0.02 -1.26 -0.60 135.00 133.55 1him n PRO 41 Ca 0.15 0.09 0.08 0.00 -2.02 0.00 0.00 63.50 61.80 1him n PRO 41 Cb 0.60 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.82 1him n PRO 41 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1him n ASP 42 N -1.41 3.00 -1.91 2.55 9.92 -1.26 -4.95 116.55 122.49 1him n ASP 42 Ca 0.08 -2.06 -0.19 0.00 -0.53 0.00 0.00 54.79 52.08 1him n ASP 42 Cb 0.24 -0.38 -0.04 0.00 -0.64 0.00 0.00 41.12 40.29 1him n ASP 42 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1him n LYS 43 N 1.00 -1.47 -2.62 -1.24 4.01 0.24 -4.99 118.16 113.09 1him n LYS 43 Ca 0.18 1.04 -0.41 0.00 -0.51 0.00 0.00 58.31 58.61 1him n LYS 43 Cb 0.49 -5.52 -0.04 0.00 -0.51 0.00 0.00 35.03 29.46 1him n LYS 43 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1him s ARG 44 N -4.41 4.59 -0.43 1.97 1.81 -1.26 -4.82 118.95 116.40 1him s ARG 44 Ca 0.00 1.56 -0.16 0.00 -1.72 0.00 0.00 55.73 55.40 1him s ARG 44 Cb 0.00 -3.37 0.03 0.00 -0.45 0.00 0.00 34.95 31.15 1him s ARG 44 CO 0.00 0.03 0.40 -0.51 -0.68 0.00 0.00 175.30 174.53 1him s LEU 45 N 0.39 5.03 -0.08 2.53 1.43 -1.26 -0.08 118.68 126.64 1him s LEU 45 Ca 0.51 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1him s LEU 45 Cb -0.25 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 1him s LEU 45 CO 0.30 -0.56 -0.10 -1.61 0.23 0.00 0.00 176.35 174.61 1him s GLU 46 N 1.96 2.89 0.42 1.70 2.02 0.10 -4.93 118.70 122.86 1him s GLU 46 Ca 0.09 -0.62 -0.26 0.00 0.02 0.00 0.00 54.97 54.20 1him s GLU 46 Cb -0.18 -2.56 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 1him s GLU 46 CO 0.12 0.52 1.36 -0.46 0.02 0.00 0.00 175.26 176.81 1him s TRP 47 N -0.43 2.68 -0.14 1.61 -0.00 -1.26 -0.39 118.94 121.00 1him s TRP 47 Ca 0.06 1.35 -0.07 0.00 -0.00 0.00 0.00 56.10 57.43 1him s TRP 47 Cb -0.12 -3.78 -0.06 0.00 -0.00 0.00 0.00 33.47 29.51 1him s TRP 47 CO 0.02 -2.43 -0.18 0.28 -0.00 0.00 0.00 176.95 174.64 1him n VAL 48 N 0.03 0.78 -3.56 5.86 0.31 -0.89 -4.83 118.33 116.03 1him n VAL 48 Ca 0.04 -0.20 -0.14 0.00 -0.01 0.00 0.00 64.34 64.03 1him n VAL 48 Cb 0.43 -1.68 -0.06 0.00 -0.91 0.00 0.00 33.84 31.62 1him n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1him s ALA 49 N -2.26 -1.86 0.02 3.52 0.00 -1.19 -4.07 121.76 115.92 1him s ALA 49 Ca -0.20 1.52 0.04 0.00 0.00 0.00 0.00 51.96 53.32 1him s ALA 49 Cb 0.08 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1him s ALA 49 CO 0.25 -0.33 -0.12 0.99 0.00 0.00 0.00 175.76 176.54 1him s THR 50 N -0.99 0.98 0.16 0.00 2.01 -1.11 -1.27 115.64 115.42 1him s THR 50 Ca -0.05 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.20 1him s THR 50 Cb -0.01 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1him s THR 50 CO 0.05 0.06 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.36 1him s ILE 51 N -0.68 1.67 0.67 1.82 2.07 -0.23 -2.27 121.20 124.23 1him s ILE 51 Ca 0.02 -1.95 -0.14 0.00 -1.41 0.00 0.00 60.65 57.17 1him s ILE 51 Cb -0.07 -1.82 0.00 0.00 0.13 0.00 0.00 42.46 40.70 1him s ILE 51 CO 0.01 -0.42 1.09 -0.55 -1.91 0.00 0.00 174.94 173.15 1him s SER 52 N -2.80 5.21 0.39 4.50 0.15 -0.49 -2.91 113.70 117.76 1him s SER 52 Ca 0.16 1.88 0.07 0.00 0.70 0.00 0.00 55.95 58.75 1him s SER 52 Cb -0.04 -2.53 0.82 0.00 -1.71 0.00 0.00 66.02 62.55 1him s SER 52 CO 0.06 -1.56 2.03 -0.55 1.20 0.00 0.00 173.24 174.42 1him h ASN 52 N -0.15 0.54 -0.47 5.45 -1.07 -1.88 -0.77 115.58 117.23 1him h ASN 52 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 55.90 1him h ASN 52 Cb 1.23 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 37.35 1him h ASN 52 CO 0.55 0.38 0.00 0.61 0.07 0.00 0.00 177.43 179.04 1him n GLY 53 N -1.47 1.43 3.40 9.14 0.00 -1.26 -4.54 105.19 111.90 1him n GLY 53 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1him n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1him n GLY 54 N 1.37 2.46 0.19 -0.02 0.00 -0.29 -4.90 105.19 103.99 1him n GLY 54 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1him n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1him h GLY 55 N 0.00 -0.47 -5.33 -0.02 0.00 -1.95 -3.44 103.07 91.86 1him h GLY 55 Ca 0.00 0.18 -0.58 0.00 0.00 0.00 0.00 47.33 46.93 1him h GLY 55 CO 0.00 -0.17 0.42 -0.19 0.00 0.00 0.00 176.54 176.59 1him s TYR 56 N -3.20 3.42 0.21 5.60 1.51 -1.26 -4.90 117.35 118.74 1him s TYR 56 Ca -0.07 1.28 0.11 0.00 -1.01 0.00 0.00 57.07 57.39 1him s TYR 56 Cb 0.01 -3.03 -0.05 0.00 -0.11 0.00 0.00 41.96 38.78 1him s TYR 56 CO 0.20 -0.25 -0.20 0.95 -1.11 0.00 0.00 175.55 175.14 1him s THR 57 N 2.18 2.54 -0.05 -0.71 -4.23 -1.26 -1.40 115.64 112.71 1him s THR 57 Ca 0.39 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.82 1him s THR 57 Cb -0.17 -2.26 0.04 0.00 1.34 0.00 0.00 72.50 71.45 1him s THR 57 CO 0.12 -0.19 0.11 -0.31 -0.54 0.00 0.00 174.62 173.82 1him s TYR 58 N -1.88 -0.10 0.02 3.99 1.51 -0.96 -5.01 117.35 114.92 1him s TYR 58 Ca 0.24 0.38 0.04 0.00 -1.01 0.00 0.00 57.07 56.72 1him s TYR 58 Cb -0.07 -0.14 -0.02 0.00 -0.11 0.00 0.00 41.96 41.62 1him s TYR 58 CO 0.12 -0.15 -0.11 0.71 -1.11 0.00 0.00 175.55 175.01 1him s TYR 59 N 1.22 0.97 0.35 2.71 1.51 -1.26 -2.77 117.35 120.08 1him s TYR 59 Ca -0.08 -0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 55.48 1him s TYR 59 Cb -0.12 -0.59 -0.10 0.00 -0.11 0.00 0.00 41.96 41.04 1him s TYR 59 CO -0.05 -0.00 0.86 -1.25 -1.11 0.00 0.00 175.55 174.00 1him s PRO 60 N -0.82 4.25 0.55 -1.71 0.04 -1.26 -4.90 135.00 131.16 1him s PRO 60 Ca 0.01 1.01 0.48 0.00 0.04 0.00 0.00 61.00 62.54 1him s PRO 60 Cb -0.06 -2.47 1.70 0.00 0.04 0.00 0.00 34.50 33.71 1him s PRO 60 CO 0.00 0.14 1.61 -0.44 0.04 0.00 0.00 177.00 178.36 1him h ASP 61 N 2.47 0.01 0.14 6.66 3.32 -1.98 -0.60 116.42 126.45 1him h ASP 61 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1him h ASP 61 Cb 1.18 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1him h ASP 61 CO 0.64 -0.01 0.00 -1.54 -1.72 0.00 0.00 179.24 176.60 1him n SER 62 N -4.01 0.21 0.00 6.45 3.41 -1.26 -4.01 113.62 114.41 1him n SER 62 Ca 0.42 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 1him n SER 62 Cb 1.88 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 1him n SER 62 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1him n VAL 63 N -1.77 0.00 -1.62 -3.33 0.31 -0.24 -4.99 118.33 106.69 1him n VAL 63 Ca 0.00 -0.01 -0.49 0.00 -0.01 0.00 0.00 64.34 63.84 1him n VAL 63 Cb 0.06 0.64 -0.05 0.00 -0.91 0.00 0.00 33.84 33.58 1him n VAL 63 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1him n LYS 64 N -0.03 1.59 0.00 5.55 5.02 -1.20 -0.76 118.16 128.33 1him n LYS 64 Ca 0.00 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1him n LYS 64 Cb 0.00 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 1him n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1him n GLY 65 N 2.76 3.00 0.08 0.72 0.00 -1.26 -4.67 105.19 105.82 1him n GLY 65 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1him n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1him n ARG 66 N -2.00 0.95 -4.34 1.61 1.74 0.06 -5.00 116.66 109.68 1him n ARG 66 Ca 0.00 -0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.81 1him n ARG 66 Cb 0.00 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 29.85 1him n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1him s PHE 67 N -2.53 1.99 -0.16 -1.55 0.40 -0.49 -4.44 117.98 111.20 1him s PHE 67 Ca -0.09 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 55.78 1him s PHE 67 Cb 0.06 -1.04 0.08 0.00 0.51 0.00 0.00 43.02 42.62 1him s PHE 67 CO 0.76 0.31 0.28 0.99 0.70 0.00 0.00 175.22 178.26 1him s THR 68 N -1.45 -0.44 0.44 0.64 2.01 -0.56 -4.76 115.64 111.52 1him s THR 68 Ca 0.13 0.19 -0.19 0.00 0.31 0.00 0.00 61.69 62.12 1him s THR 68 Cb -0.09 -0.53 -0.10 0.00 0.01 0.00 0.00 72.50 71.80 1him s THR 68 CO 0.06 0.05 0.93 -0.63 -0.69 0.00 0.00 174.62 174.34 1him s ILE 69 N 2.43 4.47 0.19 1.82 1.01 -1.26 -0.75 121.20 129.11 1him s ILE 69 Ca 0.03 1.34 -0.06 0.00 0.00 0.00 0.00 60.65 61.95 1him s ILE 69 Cb -0.13 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1him s ILE 69 CO -0.10 -0.41 0.26 -0.44 0.00 0.00 0.00 174.94 174.24 1him s SER 70 N -2.46 0.08 0.26 3.58 0.01 -0.91 -4.98 113.70 109.28 1him s SER 70 Ca 0.60 -1.09 -0.10 0.00 1.31 0.00 0.00 55.95 56.67 1him s SER 70 Cb -0.09 0.44 -0.00 0.00 0.21 0.00 0.00 66.02 66.57 1him s SER 70 CO 0.19 -0.92 0.45 0.00 0.41 0.00 0.00 173.24 173.37 1him s ARG 71 N -4.05 1.60 -0.47 12.44 1.70 -1.26 -0.08 118.95 128.83 1him s ARG 71 Ca 0.26 -1.39 0.06 0.00 -0.47 0.00 0.00 55.73 54.19 1him s ARG 71 Cb 0.04 0.45 0.19 0.00 -0.57 0.00 0.00 34.95 35.06 1him s ARG 71 CO 0.06 -0.66 0.60 -3.47 -1.08 0.00 0.00 175.30 170.76 1him n ASP 72 N -0.60 -2.17 0.01 -2.89 -0.08 -0.19 -4.97 116.55 105.66 1him n ASP 72 Ca -0.01 -2.77 0.00 0.00 -1.51 0.00 0.00 54.79 50.51 1him n ASP 72 Cb 0.62 0.84 0.01 0.00 2.34 0.00 0.00 41.12 44.93 1him n ASP 72 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1him n ASN 73 N 2.65 0.01 -0.00 1.67 4.13 -1.26 -0.06 115.26 122.39 1him n ASN 73 Ca 0.21 0.20 0.10 0.00 1.68 0.00 0.00 54.58 56.77 1him n ASN 73 Cb 0.54 -0.20 -0.15 0.00 -1.54 0.00 0.00 39.78 38.43 1him n ASN 73 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1him n ALA 74 N -1.20 2.74 -0.35 5.41 0.00 -1.26 -4.02 120.51 121.83 1him n ALA 74 Ca -0.00 -0.52 0.08 0.00 0.00 0.00 0.00 53.44 53.00 1him n ALA 74 Cb 0.31 -0.76 0.24 0.00 0.00 0.00 0.00 19.45 19.24 1him n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1him n LYS 75 N -2.32 2.94 -4.19 0.00 5.02 0.91 -5.00 118.16 115.53 1him n LYS 75 Ca -0.05 -2.39 -0.30 0.00 -2.02 0.00 0.00 58.31 53.55 1him n LYS 75 Cb 0.59 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 1him n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1him n ASN 76 N 0.84 0.36 -3.96 4.39 4.13 -0.59 -4.86 115.26 115.56 1him n ASN 76 Ca 0.18 -1.19 -0.12 0.00 1.68 0.00 0.00 54.58 55.13 1him n ASN 76 Cb 0.58 -2.07 -0.13 0.00 -1.54 0.00 0.00 39.78 36.62 1him n ASN 76 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1him s THR 77 N -4.22 0.23 0.22 3.41 -4.23 -1.23 -0.50 115.64 109.33 1him s THR 77 Ca 0.02 -0.55 0.10 0.00 -1.18 0.00 0.00 61.69 60.08 1him s THR 77 Cb -0.01 -0.28 -0.04 0.00 1.34 0.00 0.00 72.50 73.50 1him s THR 77 CO 0.96 -0.21 -0.12 -0.22 -0.54 0.00 0.00 174.62 174.49 1him s LEU 78 N -0.80 2.85 0.03 4.79 2.96 0.00 -1.02 118.68 127.49 1him s LEU 78 Ca -0.06 -0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 53.10 1him s LEU 78 Cb -0.06 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 1him s LEU 78 CO -0.00 0.07 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.78 1him s TYR 79 N -1.99 0.31 -0.15 5.38 2.02 0.88 -1.19 117.35 122.63 1him s TYR 79 Ca 0.27 -0.65 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 1him s TYR 79 Cb -0.07 -0.23 0.05 0.00 -0.40 0.00 0.00 41.96 41.30 1him s TYR 79 CO 0.15 -0.26 0.04 -1.17 -1.57 0.00 0.00 175.55 172.75 1him s LEU 80 N -1.90 0.73 -0.65 -1.29 2.96 -0.87 -2.14 118.68 115.52 1him s LEU 80 Ca -0.09 -0.52 -0.23 0.00 -0.22 0.00 0.00 54.13 53.08 1him s LEU 80 Cb -0.04 -0.42 0.07 0.00 0.50 0.00 0.00 46.19 46.29 1him s LEU 80 CO -0.04 -0.29 0.95 -1.58 -1.32 0.00 0.00 176.35 174.08 1him s GLN 81 N 1.99 3.12 0.28 1.98 2.00 0.07 -1.93 119.66 127.16 1him s GLN 81 Ca 0.02 -0.81 0.07 0.00 -2.00 0.00 0.00 55.36 52.63 1him s GLN 81 Cb -0.15 -4.22 -0.03 0.00 0.80 0.00 0.00 33.01 29.41 1him s GLN 81 CO -0.07 -1.78 0.30 -1.64 -0.50 0.00 0.00 175.29 171.59 1him s MET 82 N 4.00 3.03 -0.62 1.67 -1.94 0.67 -1.50 119.30 124.61 1him s MET 82 Ca 0.22 -1.03 -0.04 0.00 -1.71 0.00 0.00 55.69 53.13 1him s MET 82 Cb -0.17 -2.66 0.04 0.00 2.01 0.00 0.00 34.83 34.05 1him s MET 82 CO 0.11 0.29 0.10 0.43 -0.01 0.00 0.00 175.02 175.94 1him n SER 82 N -1.34 -0.13 -4.74 3.03 7.64 -1.17 -0.59 113.62 116.31 1him n SER 82 Ca -0.06 -0.46 -0.41 0.00 1.01 0.00 0.00 58.87 58.95 1him n SER 82 Cb 0.58 -0.58 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1him n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1him s LEU 82 N -3.97 4.37 0.02 -3.43 1.43 -1.07 -4.66 118.68 111.37 1him s LEU 82 Ca 0.14 2.78 0.01 0.00 -1.03 0.00 0.00 54.13 56.03 1him s LEU 82 Cb -0.08 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 1him s LEU 82 CO 0.37 -0.80 -0.05 -1.59 0.23 0.00 0.00 176.35 174.50 1him s LYS 83 N -0.22 0.39 0.38 1.70 -2.85 -1.26 0.14 119.74 118.02 1him s LYS 83 Ca 0.62 -0.56 0.18 0.00 -1.00 0.00 0.00 55.97 55.22 1him s LYS 83 Cb -0.45 -0.14 1.12 0.00 -2.06 0.00 0.00 37.83 36.31 1him s LYS 83 CO 0.43 0.02 1.72 0.77 0.10 0.00 0.00 175.35 178.40 1him h SER 84 N 4.91 0.46 -0.05 0.03 0.02 -1.94 0.19 113.55 117.16 1him h SER 84 Ca -0.32 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1him h SER 84 Cb 1.20 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1him h SER 84 CO 0.43 0.01 0.07 -0.33 -1.14 0.00 0.00 176.83 175.87 1him h GLU 85 N 0.36 0.00 -0.45 3.45 3.07 -1.96 -0.78 114.58 118.27 1him h GLU 85 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 1him h GLU 85 Cb 1.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.59 1him h GLU 85 CO -0.39 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.97 1him n ASP 86 N -3.67 2.26 -4.74 1.42 8.00 0.65 -4.89 116.55 115.58 1him n ASP 86 Ca -0.02 -2.08 -0.41 0.00 0.71 0.00 0.00 54.79 52.99 1him n ASP 86 Cb 0.16 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 1him n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1him s SER 87 N -0.90 6.98 0.00 -2.24 0.01 -0.30 -4.80 113.70 112.44 1him s SER 87 Ca 0.26 2.32 -0.01 0.00 1.31 0.00 0.00 55.95 59.83 1him s SER 87 Cb 0.15 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1him s SER 87 CO 0.16 -0.46 0.03 0.00 0.41 0.00 0.00 173.24 173.38 1him n ALA 88 N 2.62 -0.09 -3.28 1.44 0.00 -0.60 -4.68 120.51 115.91 1him n ALA 88 Ca 0.05 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 1him n ALA 88 Cb 0.44 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.76 1him n ALA 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1him s MET 89 N -2.00 3.49 -0.21 0.00 -2.45 0.84 -1.55 119.30 117.43 1him s MET 89 Ca 0.01 -0.58 -0.08 0.00 -1.25 0.00 0.00 55.69 53.79 1him s MET 89 Cb -0.00 -3.04 -0.04 0.00 1.25 0.00 0.00 34.83 33.00 1him s MET 89 CO 0.00 -0.09 0.08 0.71 1.05 0.00 0.00 175.02 176.77 1him s TYR 90 N 1.24 3.24 0.11 4.11 1.51 0.37 0.30 117.35 128.24 1him s TYR 90 Ca 0.03 0.03 0.11 0.00 -1.01 0.00 0.00 57.07 56.22 1him s TYR 90 Cb -0.14 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1him s TYR 90 CO -0.00 0.05 -0.26 0.71 -1.11 0.00 0.00 175.55 174.94 1him s TYR 91 N 0.72 2.33 -0.11 2.71 1.51 0.41 -1.63 117.35 123.30 1him s TYR 91 Ca 0.04 -0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 1him s TYR 91 Cb -0.13 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1him s TYR 91 CO 0.02 0.31 0.09 0.00 -1.11 0.00 0.00 175.55 174.85 1him s ALA 93 N -0.97 -0.28 -0.10 0.00 0.00 -0.86 -1.12 121.76 118.43 1him s ALA 93 Ca 0.14 -0.19 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 1him s ALA 93 Cb -0.12 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1him s ALA 93 CO 0.03 -0.21 0.35 0.50 0.00 0.00 0.00 175.76 176.44 1him s ARG 94 N -1.45 4.10 -0.13 0.00 3.52 -0.55 -1.06 118.95 123.39 1him s ARG 94 Ca -0.15 0.25 -0.22 0.00 -0.13 0.00 0.00 55.73 55.48 1him s ARG 94 Cb -0.08 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1him s ARG 94 CO 0.01 0.41 0.66 1.03 -0.81 0.00 0.00 175.30 176.60 1him s ARG 95 N -0.12 4.34 -1.03 5.12 1.81 -1.12 -4.29 118.95 123.66 1him s ARG 95 Ca 0.21 0.75 -0.20 0.00 -1.72 0.00 0.00 55.73 54.77 1him s ARG 95 Cb -0.14 -3.50 0.10 0.00 -0.45 0.00 0.00 34.95 30.95 1him s ARG 95 CO 0.08 -0.06 1.35 -1.21 -0.68 0.00 0.00 175.30 174.78 1him s GLU 96 N 1.26 3.69 0.19 3.54 0.41 -1.26 -3.99 118.70 122.53 1him s GLU 96 Ca 0.33 -1.63 -0.16 0.00 -0.41 0.00 0.00 54.97 53.10 1him s GLU 96 Cb -0.17 -5.17 0.16 0.00 -1.78 0.00 0.00 34.13 27.18 1him s GLU 96 CO 0.14 -1.99 1.64 -0.09 -0.49 0.00 0.00 175.26 174.46 1him h ARG 97 N 8.89 -0.04 0.03 1.61 2.43 -1.91 -1.07 114.38 124.31 1him h ARG 97 Ca 0.22 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1him h ARG 97 Cb 0.99 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1him h ARG 97 CO 1.28 -0.03 -0.01 1.88 -1.51 0.00 0.00 179.97 181.58 1him h TYR 98 N -0.04 -0.03 0.00 2.20 -1.99 -1.92 -3.37 116.97 111.82 1him h TYR 98 Ca 0.25 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.96 1him h TYR 98 Cb 0.42 0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.16 1him h TYR 98 CO -0.47 0.16 -0.09 -0.44 -0.00 0.00 0.00 178.16 177.33 1him h ASP 99 N -1.00 0.00 -6.08 3.88 3.32 -1.99 -3.47 116.42 111.08 1him h ASP 99 Ca -0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 1him h ASP 99 Cb 0.20 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.84 1him h ASP 99 CO 0.01 0.09 -0.84 -0.62 -1.72 0.00 0.00 179.24 176.15 1him n GLU 100 N -3.14 -1.37 -0.91 3.56 1.02 -0.41 -5.02 120.64 114.37 1him n GLU 100 Ca 0.02 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1him n GLU 100 Cb 0.49 -4.35 -0.01 0.00 -0.02 0.00 0.00 31.44 27.55 1him n GLU 100 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1him n ASN 100 N -2.64 0.15 0.00 1.62 0.23 -1.26 -5.08 115.26 108.29 1him n ASN 100 Ca -0.10 -1.83 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1him n ASN 100 Cb 0.59 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1him n ASN 100 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1him n GLY 100 N 0.16 3.19 3.53 4.83 0.00 -1.26 -4.84 105.19 110.80 1him n GLY 100 Ca -0.03 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1him n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1him s PHE 100 N -1.99 2.89 0.30 1.61 0.08 -1.26 -4.37 117.98 115.24 1him s PHE 100 Ca 0.00 -1.39 0.23 0.00 0.12 0.00 0.00 56.93 55.89 1him s PHE 100 Cb 0.00 -4.56 1.09 0.00 -0.57 0.00 0.00 43.02 38.98 1him s PHE 100 CO 0.00 -1.72 1.92 0.00 -0.10 0.00 0.00 175.22 175.32 1him h ALA 101 N 8.54 1.19 -3.40 5.36 0.00 -1.89 -3.44 119.26 125.62 1him h ALA 101 Ca 0.28 -0.20 -0.60 0.00 0.00 0.00 0.00 54.91 54.39 1him h ALA 101 Cb 0.95 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 18.37 1him h ALA 101 CO 1.34 0.28 -0.85 0.71 0.00 0.00 0.00 179.25 180.73 1him s TYR 102 N -3.98 2.02 0.09 0.00 1.51 -1.26 -5.01 117.35 110.73 1him s TYR 102 Ca -0.02 -0.79 0.07 0.00 -1.01 0.00 0.00 57.07 55.32 1him s TYR 102 Cb 0.12 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1him s TYR 102 CO 0.63 -0.34 -0.18 -1.58 -1.11 0.00 0.00 175.55 172.97 1him s TRP 103 N 0.47 1.57 0.00 2.71 0.52 -1.26 -1.48 118.94 121.47 1him s TRP 103 Ca -0.16 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 55.52 1him s TRP 103 Cb -0.17 -0.87 0.00 0.00 -1.15 0.00 0.00 33.47 31.29 1him s TRP 103 CO 0.06 0.15 0.00 0.41 0.02 0.00 0.00 176.95 177.59 1him n GLY 104 N 1.14 1.10 0.16 0.98 0.00 -0.28 -4.60 105.19 103.69 1him n GLY 104 Ca -0.20 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 1him n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1him h GLN 105 N 0.00 -0.29 0.00 1.61 -0.00 -1.90 -3.46 115.11 111.08 1him h GLN 105 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1him h GLN 105 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.55 1him h GLN 105 CO 0.00 0.05 0.00 0.41 -0.00 0.00 0.00 178.83 179.29 1him n GLY 106 N 0.62 4.17 2.86 0.06 0.00 -1.26 -4.99 105.19 106.65 1him n GLY 106 Ca -0.07 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.30 1him n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1him s THR 107 N -2.06 0.40 0.01 2.61 -1.32 -0.64 -4.74 115.64 109.89 1him s THR 107 Ca 0.00 -0.03 -0.23 0.00 -1.21 0.00 0.00 61.69 60.22 1him s THR 107 Cb 0.00 -0.46 -0.05 0.00 -1.51 0.00 0.00 72.50 70.48 1him s THR 107 CO 0.00 0.20 0.67 -0.22 -2.21 0.00 0.00 174.62 173.06 1him s LEU 108 N 1.01 4.42 -0.04 9.08 2.96 -1.26 -0.48 118.68 134.36 1him s LEU 108 Ca -0.10 1.27 0.05 0.00 -0.22 0.00 0.00 54.13 55.13 1him s LEU 108 Cb -0.14 -3.06 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 1him s LEU 108 CO -0.01 0.04 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.19 1him s VAL 109 N -0.02 1.56 -0.30 1.68 1.01 -0.59 -2.56 120.40 121.17 1him s VAL 109 Ca 0.35 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1him s VAL 109 Cb -0.19 -1.33 0.10 0.00 0.00 0.00 0.00 36.38 34.96 1him s VAL 109 CO 0.19 0.44 0.08 -0.89 0.00 0.00 0.00 175.10 174.93 1him s THR 110 N -0.05 1.09 -0.48 3.92 2.01 -0.85 -1.56 115.64 119.71 1him s THR 110 Ca -0.03 -1.48 -0.29 0.00 0.31 0.00 0.00 61.69 60.20 1him s THR 110 Cb -0.11 -1.79 0.03 0.00 0.01 0.00 0.00 72.50 70.64 1him s THR 110 CO 0.02 -0.61 1.18 -0.69 -0.69 0.00 0.00 174.62 173.83 1him s VAL 111 N 1.52 4.15 -0.19 3.82 1.01 -1.25 -0.39 120.40 129.06 1him s VAL 111 Ca 0.09 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 1him s VAL 111 Cb -0.18 -4.57 0.12 0.00 0.00 0.00 0.00 36.38 31.76 1him s VAL 111 CO -0.21 -1.01 0.99 -0.55 0.00 0.00 0.00 175.10 174.32 1him s SER 112 N 2.68 -0.41 0.31 3.32 0.15 0.78 -4.53 113.70 116.01 1him s SER 112 Ca 0.49 0.56 0.22 0.00 0.70 0.00 0.00 55.95 57.93 1him s SER 112 Cb -0.08 0.49 0.15 0.00 -1.71 0.00 0.00 66.02 64.88 1him s SER 112 CO 0.32 -0.29 1.31 0.00 1.20 0.00 0.00 173.24 175.77 1him h ALA 113 N 3.10 0.73 -1.57 5.45 0.00 -1.93 -3.33 119.26 121.71 1him h ALA 113 Ca -0.22 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 54.02 1him h ALA 113 Cb 1.17 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.05 1him h ALA 113 CO 0.25 0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.53 1him n ALA 114 N -2.15 -1.37 -2.46 0.00 0.00 -1.26 -5.02 120.51 108.25 1him n ALA 114 Ca 0.02 0.44 -0.38 0.00 0.00 0.00 0.00 53.44 53.52 1him n ALA 114 Cb 0.55 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 1him n ALA 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1him s LYS 115 N -0.89 4.14 0.07 0.00 2.47 -1.26 -5.00 119.74 119.26 1him s LYS 115 Ca 0.67 0.57 -0.30 0.00 -1.56 0.00 0.00 55.97 55.35 1him s LYS 115 Cb -0.85 -3.28 -0.09 0.00 -1.46 0.00 0.00 37.83 32.14 1him s LYS 115 CO 0.56 0.54 1.88 0.99 0.16 0.00 0.00 175.35 179.48 1him s THR 116 N -0.69 2.84 -0.06 3.43 2.01 -1.26 -4.57 115.64 117.34 1him s THR 116 Ca 0.27 0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.35 1him s THR 116 Cb -0.18 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.30 1him s THR 116 CO 0.15 -0.00 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.16 1him s THR 117 N 3.63 0.48 0.59 -0.82 2.01 0.21 -4.92 115.64 116.82 1him s THR 117 Ca 0.84 -0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.68 1him s THR 117 Cb -0.43 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1him s THR 117 CO 0.38 0.25 1.03 0.00 -0.69 0.00 0.00 174.62 175.59 1him s ALA 118 N 1.46 2.92 0.60 7.40 0.00 -1.26 0.05 121.76 132.93 1him s ALA 118 Ca -0.03 0.17 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 1him s ALA 118 Cb -0.13 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1him s ALA 118 CO -0.03 -0.64 0.94 -2.14 0.00 0.00 0.00 175.76 173.89 1him s PRO 119 N -4.44 3.14 -0.37 0.00 0.02 -1.26 -4.62 135.00 127.47 1him s PRO 119 Ca 0.59 0.26 -0.14 0.00 0.02 0.00 0.00 61.00 61.74 1him s PRO 119 Cb -0.12 -2.21 -0.00 0.00 0.02 0.00 0.00 34.50 32.18 1him s PRO 119 CO 0.41 -0.65 0.26 -1.12 -0.33 0.00 0.00 177.00 175.57 1him s SER 120 N -4.26 6.08 -0.26 2.53 0.01 -0.13 -4.93 113.70 112.75 1him s SER 120 Ca 0.54 -0.60 -0.14 0.00 1.31 0.00 0.00 55.95 57.05 1him s SER 120 Cb -0.11 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1him s SER 120 CO 0.48 -0.32 0.34 -0.69 0.41 0.00 0.00 173.24 173.47 1him s VAL 121 N 1.71 5.20 -0.18 3.43 1.01 -1.26 -1.37 120.40 128.95 1him s VAL 121 Ca 0.06 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1him s VAL 121 Cb -0.18 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1him s VAL 121 CO 0.10 0.19 -0.13 -0.31 0.00 0.00 0.00 175.10 174.96 1him s TYR 122 N 1.85 2.37 0.39 5.22 2.02 0.10 -4.99 117.35 124.31 1him s TYR 122 Ca 0.14 -1.45 -0.24 0.00 -0.37 0.00 0.00 57.07 55.15 1him s TYR 122 Cb -0.15 -1.66 -0.09 0.00 -0.40 0.00 0.00 41.96 39.65 1him s TYR 122 CO 0.09 -0.72 1.03 -1.25 -1.57 0.00 0.00 175.55 173.13 1him s PRO 123 N 1.42 4.22 -0.25 -1.71 0.04 -1.26 -0.84 135.00 136.61 1him s PRO 123 Ca 0.02 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 1him s PRO 123 Cb -0.14 -2.54 0.08 0.00 0.04 0.00 0.00 34.50 31.93 1him s PRO 123 CO -0.10 -0.08 0.04 -0.51 0.04 0.00 0.00 177.00 176.39 1him s LEU 124 N -2.62 2.11 0.20 -3.56 1.43 0.73 -4.91 118.68 112.06 1him s LEU 124 Ca 0.57 -1.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.35 1him s LEU 124 Cb -0.21 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 1him s LEU 124 CO 0.26 -0.33 0.44 0.00 0.23 0.00 0.00 176.35 176.95 1him s ALA 125 N 1.60 3.73 0.96 4.21 0.00 -1.26 -1.44 121.76 129.56 1him s ALA 125 Ca 0.02 -0.57 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 1him s ALA 125 Cb -0.18 -2.18 0.17 0.00 0.00 0.00 0.00 23.12 20.93 1him s ALA 125 CO -0.14 0.52 1.10 -2.14 0.00 0.00 0.00 175.76 175.11 1him s PRO 126 N -2.98 0.72 0.24 0.00 0.02 -1.26 -5.01 135.00 126.73 1him s PRO 126 Ca 0.42 0.50 -0.07 0.00 0.02 0.00 0.00 61.00 61.88 1him s PRO 126 Cb -0.11 -1.77 0.43 0.00 0.02 0.00 0.00 34.50 33.07 1him s PRO 126 CO 0.26 -2.53 1.65 -0.39 -0.33 0.00 0.00 177.00 175.66 1him h VAL 127 N -1.75 0.41 0.00 3.83 -1.51 -1.96 -3.50 116.25 111.78 1him h VAL 127 Ca -0.53 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1him h VAL 127 Cb 1.32 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1him h VAL 127 CO 0.58 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 177.56 1him n GLY 135 N -1.39 1.18 0.26 5.19 0.00 -1.26 -5.17 105.19 104.00 1him n GLY 135 Ca 0.13 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1him n GLY 135 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1him h SER 136 N 9.08 0.86 -4.46 1.61 0.02 -1.99 -3.38 113.55 115.30 1him h SER 136 Ca 0.00 -0.27 -0.36 0.00 -0.84 0.00 0.00 61.79 60.32 1him h SER 136 Cb 0.00 -0.23 -0.20 0.00 0.14 0.00 0.00 62.40 62.11 1him h SER 136 CO 0.00 0.91 -0.76 -0.44 -1.14 0.00 0.00 176.83 175.41 1him s SER 137 N -6.31 1.51 -0.03 3.07 0.01 -1.26 -0.04 113.70 110.65 1him s SER 137 Ca -0.12 -0.68 0.05 0.00 1.31 0.00 0.00 55.95 56.51 1him s SER 137 Cb 0.12 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 1him s SER 137 CO 0.82 -0.15 -0.19 -0.69 0.41 0.00 0.00 173.24 173.44 1him s VAL 138 N -1.68 1.52 -0.02 3.43 1.01 0.10 -4.75 120.40 120.00 1him s VAL 138 Ca -0.00 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1him s VAL 138 Cb -0.08 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1him s VAL 138 CO 0.01 0.43 -0.25 -0.89 0.00 0.00 0.00 175.10 174.41 1him s THR 139 N -0.26 1.98 0.35 3.92 2.01 -1.26 -0.50 115.64 121.88 1him s THR 139 Ca 0.03 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 61.00 1him s THR 139 Cb -0.09 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1him s THR 139 CO 0.01 0.56 0.11 -0.76 -0.69 0.00 0.00 174.62 173.85 1him s LEU 140 N -0.53 1.94 0.23 4.42 1.43 -0.46 -4.38 118.68 121.33 1him s LEU 140 Ca 0.08 -1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 51.46 1him s LEU 140 Cb -0.10 -0.10 0.02 0.00 0.03 0.00 0.00 46.19 46.04 1him s LEU 140 CO -0.00 -0.82 0.56 -0.83 0.23 0.00 0.00 176.35 175.49 1him s GLY 141 N -3.50 0.05 -0.12 -3.19 0.00 -0.52 -1.51 107.32 98.53 1him s GLY 141 Ca 0.31 -0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.64 1him s GLY 141 CO 0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 173.10 172.88 1him s LEU 143 N 1.72 4.10 -0.28 0.00 2.96 -0.02 -1.11 118.68 126.06 1him s LEU 143 Ca 0.05 0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 54.10 1him s LEU 143 Cb -0.13 -2.23 -0.00 0.00 0.50 0.00 0.00 46.19 44.33 1him s LEU 143 CO -0.08 -0.01 0.07 -0.69 -1.32 0.00 0.00 176.35 174.32 1him s VAL 144 N 1.31 3.99 -0.03 1.68 1.01 0.15 -0.72 120.40 127.78 1him s VAL 144 Ca 0.11 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1him s VAL 144 Cb -0.14 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1him s VAL 144 CO 0.07 0.17 -0.25 -0.75 0.00 0.00 0.00 175.10 174.33 1him s LYS 145 N 1.52 2.23 -1.00 2.72 2.20 -0.47 -1.06 119.74 125.90 1him s LYS 145 Ca 0.04 -0.91 -0.06 0.00 -0.36 0.00 0.00 55.97 54.67 1him s LYS 145 Cb -0.16 -2.09 -0.05 0.00 -1.51 0.00 0.00 37.83 34.02 1him s LYS 145 CO 0.02 0.52 0.86 0.41 -0.36 0.00 0.00 175.35 176.81 1him n GLY 146 N 2.56 -1.17 3.44 5.54 0.00 -0.06 -0.95 105.19 114.55 1him n GLY 146 Ca -0.16 0.56 -0.21 0.00 0.00 0.00 0.00 46.02 46.20 1him n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1him s TYR 147 N -3.32 1.98 -0.20 1.61 1.13 -1.13 -4.53 117.35 112.90 1him s TYR 147 Ca 0.37 -0.71 -0.14 0.00 -1.41 0.00 0.00 57.07 55.17 1him s TYR 147 Cb -0.06 -1.15 0.06 0.00 -1.10 0.00 0.00 41.96 39.71 1him s TYR 147 CO 0.75 0.27 0.50 0.12 -2.51 0.00 0.00 175.55 174.69 1him s PHE 148 N -3.02 -0.66 0.00 -3.49 5.36 0.11 -1.08 117.98 115.21 1him s PHE 148 Ca 0.30 1.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 1him s PHE 148 Cb 0.04 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 1him s PHE 148 CO 0.12 -0.34 0.00 -0.35 -1.46 0.00 0.00 175.22 173.20 1him n PRO 149 N 3.57 1.03 -3.03 10.12 -0.04 -1.26 -0.62 135.00 144.77 1him n PRO 149 Ca -0.18 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.95 1him n PRO 149 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 1him n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1him s GLU 150 N -1.65 4.08 0.59 0.54 2.02 -1.26 -4.58 118.70 118.43 1him s GLU 150 Ca 0.00 0.82 0.07 0.00 0.02 0.00 0.00 54.97 55.88 1him s GLU 150 Cb 0.00 -2.35 0.09 0.00 0.10 0.00 0.00 34.13 31.97 1him s GLU 150 CO 0.00 0.10 0.81 -1.25 0.02 0.00 0.00 175.26 174.93 1him s PRO 151 N -3.05 2.24 -0.02 0.39 0.05 -1.26 -4.98 135.00 128.37 1him s PRO 151 Ca 0.57 -1.49 0.08 0.00 0.05 0.00 0.00 61.00 60.20 1him s PRO 151 Cb -0.10 -2.60 -0.02 0.00 0.05 0.00 0.00 34.50 31.84 1him s PRO 151 CO 0.16 -0.91 -0.25 0.08 0.05 0.00 0.00 177.00 176.12 1him s VAL 152 N -2.73 2.01 -0.20 -0.36 1.01 -1.26 -3.92 120.40 114.94 1him s VAL 152 Ca 0.62 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1him s VAL 152 Cb -0.06 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1him s VAL 152 CO 0.39 0.57 0.02 -0.89 0.00 0.00 0.00 175.10 175.19 1him s THR 153 N -0.54 4.16 0.02 3.92 2.01 0.94 -4.98 115.64 121.17 1him s THR 153 Ca 0.08 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1him s THR 153 Cb -0.10 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1him s THR 153 CO -0.00 0.42 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.00 1him s LEU 154 N 0.93 2.86 0.11 4.42 0.20 -1.26 -0.97 118.68 124.99 1him s LEU 154 Ca 0.02 -0.28 -0.13 0.00 0.69 0.00 0.00 54.13 54.43 1him s LEU 154 Cb -0.14 -1.66 0.02 0.00 -0.43 0.00 0.00 46.19 43.98 1him s LEU 154 CO 0.02 0.28 0.31 0.42 -0.29 0.00 0.00 176.35 177.09 1him s THR 156 N -0.94 0.10 -0.13 3.68 -4.23 -0.02 -4.99 115.64 109.11 1him s THR 156 Ca 0.15 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 1him s THR 156 Cb -0.11 -1.28 -0.00 0.00 1.34 0.00 0.00 72.50 72.44 1him s THR 156 CO 0.06 -0.45 -0.19 0.26 -0.54 0.00 0.00 174.62 173.76 1him s TRP 157 N -3.84 2.69 -0.84 3.99 0.52 -1.26 0.14 118.94 120.34 1him s TRP 157 Ca 0.05 -0.97 -0.03 0.00 0.02 0.00 0.00 56.10 55.17 1him s TRP 157 Cb 0.03 -1.80 0.00 0.00 -1.15 0.00 0.00 33.47 30.55 1him s TRP 157 CO -0.11 -0.40 0.65 0.09 0.02 0.00 0.00 176.95 177.21 1him n ASN 162 N 3.70 -5.79 -2.14 2.95 4.13 0.08 -2.12 115.26 116.07 1him n ASN 162 Ca -0.19 -0.71 -0.00 0.00 1.68 0.00 0.00 54.58 55.36 1him n ASN 162 Cb 0.52 -2.97 -0.00 0.00 -1.54 0.00 0.00 39.78 35.80 1him n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1him n SER 163 N -2.35 -0.82 0.00 6.41 7.64 -1.26 -0.20 113.62 123.04 1him n SER 163 Ca -0.19 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1him n SER 163 Cb 0.62 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1him n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1him n GLY 164 N -0.41 0.93 0.09 0.23 0.00 -0.90 -4.97 105.19 100.15 1him n GLY 164 Ca 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 1him n GLY 164 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1him n SER 165 N 1.25 0.49 -4.52 1.61 7.64 0.72 -4.75 113.62 116.06 1him n SER 165 Ca 0.00 0.23 -0.42 0.00 1.01 0.00 0.00 58.87 59.69 1him n SER 165 Cb 0.27 0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 63.96 1him n SER 165 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1him s LEU 166 N -5.69 3.59 -0.18 -3.43 1.43 -1.02 -4.82 118.68 108.57 1him s LEU 166 Ca -0.06 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.25 1him s LEU 166 Cb 0.08 -2.51 -0.21 0.00 0.03 0.00 0.00 46.19 43.57 1him s LEU 166 CO 0.83 -1.69 0.17 -1.20 0.23 0.00 0.00 176.35 174.69 1him n SER 167 N 8.78 2.01 -4.97 2.29 7.64 -1.26 -4.69 113.62 123.42 1him n SER 167 Ca 0.02 0.24 -0.21 0.00 1.01 0.00 0.00 58.87 59.94 1him n SER 167 Cb 0.48 -0.83 -0.02 0.00 -1.01 0.00 0.00 64.21 62.83 1him n SER 167 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1him s SER 168 N -6.97 6.24 0.00 6.43 0.01 -1.26 -4.24 113.70 113.91 1him s SER 168 Ca -0.28 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1him s SER 168 Cb 0.08 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1him s SER 168 CO 0.67 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.77 1him n GLY 169 N -1.47 1.28 3.82 3.44 0.00 -1.26 -4.75 105.19 106.25 1him n GLY 169 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1him n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1him s VAL 171 N -2.56 4.83 -0.25 1.61 1.01 -1.26 -2.00 120.40 121.77 1him s VAL 171 Ca 0.00 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 1him s VAL 171 Cb 0.00 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.64 1him s VAL 171 CO 0.00 0.52 0.15 -1.00 0.00 0.00 0.00 175.10 174.76 1him s HIS 172 N -1.15 0.14 -0.23 5.22 3.76 -0.68 -4.97 115.29 117.37 1him s HIS 172 Ca 0.29 -0.55 -0.11 0.00 -0.15 0.00 0.00 55.06 54.54 1him s HIS 172 Cb -0.18 -0.74 -0.05 0.00 1.11 0.00 0.00 32.58 32.72 1him s HIS 172 CO 0.18 -0.73 0.20 0.99 -0.85 0.00 0.00 174.74 174.53 1him s THR 173 N 2.16 5.33 -0.01 1.30 2.01 -1.26 -0.42 115.64 124.75 1him s THR 173 Ca 0.07 0.27 -0.16 0.00 0.31 0.00 0.00 61.69 62.18 1him s THR 173 Cb -0.16 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1him s THR 173 CO -0.27 0.33 0.44 -0.36 -0.69 0.00 0.00 174.62 174.07 1him s PHE 174 N 1.12 3.71 0.00 4.92 0.08 -0.72 -5.01 117.98 122.08 1him s PHE 174 Ca 0.10 1.02 -0.14 0.00 0.12 0.00 0.00 56.93 58.02 1him s PHE 174 Cb -0.14 -2.36 -0.07 0.00 -0.57 0.00 0.00 43.02 39.88 1him s PHE 174 CO 0.05 0.56 0.38 -2.30 -0.10 0.00 0.00 175.22 173.81 1him n PRO 175 N 2.09 0.00 -2.81 0.24 -0.02 -1.26 -4.31 135.00 128.94 1him n PRO 175 Ca -0.12 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.99 1him n PRO 175 Cb 0.52 -0.54 -0.06 0.00 -0.02 0.00 0.00 33.50 33.40 1him n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1him s ALA 176 N -0.01 3.20 0.33 3.55 0.00 -1.26 -4.76 121.76 122.80 1him s ALA 176 Ca 0.33 0.48 0.09 0.00 0.00 0.00 0.00 51.96 52.86 1him s ALA 176 Cb -0.45 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1him s ALA 176 CO 0.20 0.18 -0.01 0.14 0.00 0.00 0.00 175.76 176.28 1him s VAL 177 N -1.69 2.69 -0.19 0.00 -7.23 0.45 -4.89 120.40 109.55 1him s VAL 177 Ca 0.51 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1him s VAL 177 Cb -0.17 -2.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 1him s VAL 177 CO 0.22 -0.23 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.52 1him s LEU 178 N -3.69 3.12 0.00 1.32 2.96 -1.26 -1.50 118.68 119.63 1him s LEU 178 Ca 0.34 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1him s LEU 178 Cb -0.01 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.91 1him s LEU 178 CO 0.19 0.08 0.00 0.00 -1.32 0.00 0.00 176.35 175.30 1him n GLN 179 N 4.10 3.47 -2.21 1.98 10.64 0.13 -4.91 117.38 130.58 1him n GLN 179 Ca -0.17 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.68 1him n GLN 179 Cb 0.52 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.85 1him n GLN 179 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1him s SER 180 N -0.59 5.56 0.00 2.61 0.01 -1.26 -4.12 113.70 115.90 1him s SER 180 Ca 0.00 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 55.84 1him s SER 180 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1him s SER 180 CO 0.00 -2.45 0.00 0.47 0.41 0.00 0.00 173.24 171.67 1him n ASP 183 N 12.54 -5.01 -4.33 2.44 8.00 -1.26 -4.94 116.55 123.98 1him n ASP 183 Ca 0.42 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.62 1him n ASP 183 Cb 0.47 -3.04 -0.15 0.00 -0.02 0.00 0.00 41.12 38.38 1him n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1him s LEU 184 N 0.00 2.13 0.28 0.64 1.43 -1.26 -4.70 118.68 117.21 1him s LEU 184 Ca 0.00 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1him s LEU 184 Cb 0.00 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1him s LEU 184 CO 0.00 0.28 0.51 -0.31 0.23 0.00 0.00 176.35 177.06 1him s TYR 185 N -0.74 3.49 -0.05 0.29 2.02 -0.24 -0.69 117.35 121.42 1him s TYR 185 Ca 0.11 0.48 -0.03 0.00 -0.37 0.00 0.00 57.07 57.27 1him s TYR 185 Cb -0.10 -1.98 0.03 0.00 -0.40 0.00 0.00 41.96 39.51 1him s TYR 185 CO 0.01 0.21 0.12 0.99 -1.57 0.00 0.00 175.55 175.31 1him s THR 186 N -2.09 -0.04 0.01 -0.71 2.01 -0.56 -0.88 115.64 113.38 1him s THR 186 Ca 0.41 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.51 1him s THR 186 Cb -0.10 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1him s THR 186 CO 0.31 0.06 0.06 -0.22 -0.69 0.00 0.00 174.62 174.14 1him s LEU 187 N 0.86 1.88 -0.09 4.42 2.96 -0.22 -0.41 118.68 128.08 1him s LEU 187 Ca -0.07 -0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 53.34 1him s LEU 187 Cb -0.09 0.38 0.04 0.00 0.50 0.00 0.00 46.19 47.03 1him s LEU 187 CO -0.04 -0.32 0.44 -0.94 -1.32 0.00 0.00 176.35 174.18 1him s SER 188 N -1.32 -0.40 0.04 3.68 1.04 -1.26 0.32 113.70 115.81 1him s SER 188 Ca -0.14 0.55 0.04 0.00 0.48 0.00 0.00 55.95 56.88 1him s SER 188 Cb -0.08 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1him s SER 188 CO 0.00 -0.36 -0.12 -0.55 0.98 0.00 0.00 173.24 173.19 1him s SER 189 N -0.66 1.45 0.27 7.02 0.15 -0.27 -1.75 113.70 119.92 1him s SER 189 Ca -0.08 -0.49 0.07 0.00 0.70 0.00 0.00 55.95 56.16 1him s SER 189 Cb -0.03 -0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.18 1him s SER 189 CO 0.04 -0.03 0.19 -0.94 1.20 0.00 0.00 173.24 173.70 1him s SER 190 N -1.29 5.32 -0.10 5.45 1.04 0.44 -1.50 113.70 123.06 1him s SER 190 Ca -0.01 -0.37 -0.07 0.00 0.48 0.00 0.00 55.95 55.98 1him s SER 190 Cb -0.08 -1.22 0.04 0.00 0.10 0.00 0.00 66.02 64.86 1him s SER 190 CO 0.01 -0.11 0.25 0.54 0.98 0.00 0.00 173.24 174.91 1him s VAL 191 N -2.21 -0.02 -0.20 5.02 0.11 -0.57 -1.68 120.40 120.84 1him s VAL 191 Ca 0.35 0.08 -0.06 0.00 -2.93 0.00 0.00 61.98 59.41 1him s VAL 191 Cb -0.07 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1him s VAL 191 CO 0.25 0.03 0.03 0.42 -3.33 0.00 0.00 175.10 172.50 1him s THR 192 N 0.74 4.29 0.30 5.04 -4.23 -0.85 -1.35 115.64 119.58 1him s THR 192 Ca -0.05 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.27 1him s THR 192 Cb -0.06 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.83 1him s THR 192 CO -0.05 0.42 0.07 1.33 -0.54 0.00 0.00 174.62 175.85 1him n VAL 193 N 4.17 0.00 -3.25 2.29 0.24 0.35 -4.57 118.33 117.55 1him n VAL 193 Ca -0.17 -1.35 -0.19 0.00 -2.04 0.00 0.00 64.34 60.60 1him n VAL 193 Cb 0.52 0.13 -0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1him n VAL 193 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1him s THR 194 N -1.91 2.75 0.59 3.34 -4.23 -1.26 -0.72 115.64 114.20 1him s THR 194 Ca 0.05 -1.15 0.30 0.00 -1.18 0.00 0.00 61.69 59.71 1him s THR 194 Cb -0.00 -2.90 0.36 0.00 1.34 0.00 0.00 72.50 71.30 1him s THR 194 CO 0.03 0.00 2.20 0.77 -0.54 0.00 0.00 174.62 177.08 1him h SER 195 N 0.75 0.00 -0.05 3.99 4.64 -0.63 -1.63 113.55 120.62 1him h SER 195 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1him h SER 195 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1him h SER 195 CO 0.50 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.26 1him n SER 196 N -3.78 1.82 -0.12 4.97 7.64 -1.26 -4.37 113.62 118.51 1him n SER 196 Ca -0.01 -1.62 -0.17 0.00 1.01 0.00 0.00 58.87 58.08 1him n SER 196 Cb 0.18 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.25 1him n SER 196 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1him n THR 198 N 0.42 1.36 -4.94 0.44 -1.04 -0.62 -4.78 114.28 105.11 1him n THR 198 Ca 0.18 -0.52 -0.33 0.00 -2.04 0.00 0.00 64.05 61.35 1him n THR 198 Cb 0.40 -1.35 -0.13 0.00 -1.82 0.00 0.00 70.33 67.43 1him n THR 198 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1him s TRP 199 N -2.47 2.66 -1.80 -1.42 -0.00 -1.21 0.16 118.94 114.86 1him s TRP 199 Ca -0.32 -0.21 0.23 0.00 -0.00 0.00 0.00 56.10 55.80 1him s TRP 199 Cb 0.08 -1.62 1.31 0.00 -0.00 0.00 0.00 33.47 33.25 1him s TRP 199 CO 0.54 0.15 1.76 -2.30 -0.00 0.00 0.00 176.95 177.10 1him n PRO 200 N 2.36 0.59 -0.04 5.86 -0.02 -1.26 -4.76 135.00 137.73 1him n PRO 200 Ca -0.17 0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.24 1him n PRO 200 Cb 0.52 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.46 1him n PRO 200 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1him h SER 202 N 0.00 0.22 -3.35 2.55 4.64 -1.78 -3.40 113.55 112.44 1him h SER 202 Ca 0.00 -0.01 -0.65 0.00 -0.47 0.00 0.00 61.79 60.66 1him h SER 202 Cb 0.08 -0.06 -0.26 0.00 -0.31 0.00 0.00 62.40 61.85 1him h SER 202 CO 0.00 0.16 -0.72 -1.10 -0.87 0.00 0.00 176.83 174.30 1him s GLN 203 N -6.17 3.45 0.35 4.77 -0.21 0.43 -5.05 119.66 117.22 1him s GLN 203 Ca -0.13 -0.62 -0.28 0.00 0.02 0.00 0.00 55.36 54.35 1him s GLN 203 Cb 0.08 -2.85 -0.10 0.00 1.00 0.00 0.00 33.01 31.14 1him s GLN 203 CO 0.69 0.05 1.33 -1.12 -2.12 0.00 0.00 175.29 174.12 1him s SER 204 N 0.81 6.64 -0.19 5.90 0.01 -1.26 -4.24 113.70 121.37 1him s SER 204 Ca -0.03 2.72 -0.01 0.00 1.31 0.00 0.00 55.95 59.95 1him s SER 204 Cb -0.15 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1him s SER 204 CO 0.01 -0.63 -0.13 -0.63 0.41 0.00 0.00 173.24 172.27 1him s ILE 205 N -1.16 2.66 0.01 1.44 -1.09 -1.26 -5.00 121.20 116.79 1him s ILE 205 Ca 0.51 -0.74 0.07 0.00 -2.23 0.00 0.00 60.65 58.25 1him s ILE 205 Cb -0.40 -2.16 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1him s ILE 205 CO 0.53 0.49 -0.20 -0.89 -1.23 0.00 0.00 174.94 173.65 1him s THR 206 N 1.21 2.60 -0.19 2.92 2.01 -1.26 -1.07 115.64 121.87 1him s THR 206 Ca 0.02 -1.08 -0.09 0.00 0.31 0.00 0.00 61.69 60.85 1him s THR 206 Cb -0.14 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1him s THR 206 CO -0.06 0.46 0.09 0.00 -0.69 0.00 0.00 174.62 174.42 1him s ASN 209 N 0.31 4.63 -0.29 0.00 -0.87 0.12 -1.25 114.94 117.60 1him s ASN 209 Ca 0.06 -2.00 -0.05 0.00 -1.57 0.00 0.00 52.86 49.30 1him s ASN 209 Cb -0.12 -1.52 0.02 0.00 -0.02 0.00 0.00 41.25 39.61 1him s ASN 209 CO -0.01 -0.36 0.04 -0.69 -2.57 0.00 0.00 177.10 173.51 1him s VAL 210 N 1.01 3.54 -0.21 1.60 1.01 -0.35 -0.84 120.40 126.16 1him s VAL 210 Ca 0.08 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1him s VAL 210 Cb -0.19 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1him s VAL 210 CO -0.10 0.06 0.04 0.00 0.00 0.00 0.00 175.10 175.10 1him s ALA 211 N 1.41 3.17 -0.67 5.51 0.00 -0.14 -0.49 121.76 130.55 1him s ALA 211 Ca 0.01 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 1him s ALA 211 Cb -0.18 -1.90 0.17 0.00 0.00 0.00 0.00 23.12 21.22 1him s ALA 211 CO 0.00 -0.15 0.55 -1.58 0.00 0.00 0.00 175.76 174.58 1him s HIS 212 N 1.00 3.54 0.11 0.00 2.46 0.11 -0.04 115.29 122.47 1him s HIS 212 Ca 0.03 -2.21 -0.21 0.00 0.47 0.00 0.00 55.06 53.14 1him s HIS 212 Cb -0.14 -3.52 -0.05 0.00 -0.13 0.00 0.00 32.58 28.74 1him s HIS 212 CO 0.02 -0.94 1.28 -2.30 -2.47 0.00 0.00 174.74 170.34 1him n PRO 213 N 4.03 -0.30 0.00 2.88 -0.02 -1.25 -2.78 135.00 137.56 1him n PRO 213 Ca 0.06 1.26 0.00 0.00 -2.02 0.00 0.00 63.50 62.80 1him n PRO 213 Cb 0.42 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1him n PRO 213 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1him n ALA 214 N -3.21 0.34 -1.86 3.55 0.00 -1.26 -1.49 120.51 116.58 1him n ALA 214 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1him n ALA 214 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1him n ALA 214 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1him n SER 215 N -0.38 0.00 -3.99 0.00 3.41 -1.12 -4.83 113.62 106.71 1him n SER 215 Ca 0.00 -0.92 -0.26 0.00 -0.26 0.00 0.00 58.87 57.43 1him n SER 215 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1him n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1him n SER 216 N 0.00 -0.34 -4.45 4.04 7.64 -0.55 -4.97 113.62 114.98 1him n SER 216 Ca 0.00 -1.04 -0.33 0.00 1.01 0.00 0.00 58.87 58.51 1him n SER 216 Cb 0.46 -2.88 -0.13 0.00 -1.01 0.00 0.00 64.21 60.64 1him n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1him s THR 217 N -3.99 3.30 -0.06 0.44 2.01 -1.22 -5.05 115.64 111.08 1him s THR 217 Ca 0.02 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 1him s THR 217 Cb -0.01 -2.37 0.04 0.00 0.01 0.00 0.00 72.50 70.17 1him s THR 217 CO 0.90 0.54 0.10 -0.54 -0.69 0.00 0.00 174.62 174.94 1him s LYS 218 N -0.06 -0.01 -0.02 4.92 1.02 -1.26 -0.71 119.74 123.61 1him s LYS 218 Ca -0.01 0.41 0.04 0.00 0.02 0.00 0.00 55.97 56.43 1him s LYS 218 Cb -0.14 -0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 36.83 1him s LYS 218 CO 0.03 -0.27 -0.15 0.08 -0.92 0.00 0.00 175.35 174.13 1him s VAL 219 N 1.90 1.18 -0.24 3.17 1.01 0.36 -5.00 120.40 122.79 1him s VAL 219 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1him s VAL 219 Cb -0.12 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1him s VAL 219 CO -0.04 0.34 -0.05 -1.81 0.00 0.00 0.00 175.10 173.54 1him s ASP 220 N -0.13 4.31 -0.21 3.32 1.01 -1.26 -1.21 116.67 122.51 1him s ASP 220 Ca 0.01 -0.67 0.02 0.00 0.71 0.00 0.00 52.55 52.62 1him s ASP 220 Cb -0.08 -1.70 0.04 0.00 1.01 0.00 0.00 42.92 42.18 1him s ASP 220 CO 0.00 -0.09 -0.16 -0.54 0.21 0.00 0.00 175.17 174.60 1him s LYS 221 N 1.40 2.65 -0.02 8.23 -0.14 -0.38 -4.95 119.74 126.54 1him s LYS 221 Ca 0.03 -1.02 -0.29 0.00 -1.36 0.00 0.00 55.97 53.32 1him s LYS 221 Cb -0.16 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.29 1him s LYS 221 CO -0.04 -0.36 0.96 0.21 -0.76 0.00 0.00 175.35 175.37 1him s LYS 222 N 1.23 4.54 -0.80 1.68 2.36 -1.26 -1.10 119.74 126.37 1him s LYS 222 Ca -0.01 1.38 -0.25 0.00 -2.55 0.00 0.00 55.97 54.54 1him s LYS 222 Cb -0.16 -3.47 0.04 0.00 -1.05 0.00 0.00 37.83 33.20 1him s LYS 222 CO -0.10 -0.07 1.28 0.42 1.55 0.00 0.00 175.35 178.44 1him s ILE 223 N 1.10 3.86 0.04 5.43 -1.09 -0.23 -4.97 121.20 125.33 1him s ILE 223 Ca 0.51 -0.00 -0.09 0.00 -2.23 0.00 0.00 60.65 58.83 1him s ILE 223 Cb -0.20 -4.93 -0.05 0.00 -1.58 0.00 0.00 42.46 35.70 1him s ILE 223 CO 0.26 -1.83 0.34 -1.61 -1.23 0.00 0.00 174.94 170.88 1him s GLU 226 N 5.30 3.70 0.46 2.79 2.02 -1.26 -4.69 118.70 127.02 1him s GLU 226 Ca 0.36 0.09 0.23 0.00 0.02 0.00 0.00 54.97 55.68 1him s GLU 226 Cb -0.07 -3.05 1.13 0.00 0.10 0.00 0.00 34.13 32.23 1him s GLU 226 CO 0.08 0.61 1.94 -1.00 0.02 0.00 0.00 175.26 176.91 1him h PRO 227 N 3.95 0.00 0.00 0.39 0.13 -1.96 -3.42 132.00 131.08 1him h PRO 227 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1him h PRO 227 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1him h PRO 227 CO 0.66 0.21 0.00 0.54 -0.23 0.00 0.00 178.00 179.18