#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 4.47 -0.17 6.31 1.01 -1.26 -4.43 120.40 126.33 1him s VAL 2 Ca 0.00 1.38 -0.04 0.00 0.00 0.00 0.00 61.98 63.32 1him s VAL 2 Cb 0.00 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.66 1him s VAL 2 CO 0.00 0.01 0.20 -1.58 0.00 0.00 0.00 175.10 173.73 1him s GLN 3 N -2.42 0.14 -0.24 2.72 0.74 0.45 -4.95 119.66 116.09 1him s GLN 3 Ca 0.51 0.26 -0.03 0.00 0.05 0.00 0.00 55.36 56.15 1him s GLN 3 Cb -0.14 -1.05 0.01 0.00 1.10 0.00 0.00 33.01 32.92 1him s GLN 3 CO 0.19 -0.57 -0.03 -0.51 -0.55 0.00 0.00 175.29 173.82 1him s LEU 4 N 2.30 3.14 -0.20 3.68 1.43 -1.26 -0.50 118.68 127.27 1him s LEU 4 Ca 0.05 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1him s LEU 4 Cb -0.15 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.40 1him s LEU 4 CO -0.10 -0.09 -0.07 -0.69 0.23 0.00 0.00 176.35 175.62 1him s VAL 5 N 1.41 1.44 0.58 -1.59 1.01 -0.34 -3.77 120.40 119.14 1him s VAL 5 Ca 0.03 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 1him s VAL 5 Cb -0.16 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1him s VAL 5 CO -0.03 0.07 0.96 -1.61 0.00 0.00 0.00 175.10 174.49 1him s GLU 6 N 1.47 3.52 0.34 2.72 8.01 -1.26 -1.18 118.70 132.33 1him s GLU 6 Ca -0.02 0.55 -0.05 0.00 0.01 0.00 0.00 54.97 55.47 1him s GLU 6 Cb -0.17 -2.17 0.02 0.00 -4.31 0.00 0.00 34.13 27.50 1him s GLU 6 CO -0.07 -0.50 0.53 0.43 0.01 0.00 0.00 175.26 175.66 1him n SER 7 N -2.62 -1.50 0.00 -0.19 7.64 0.18 -4.88 113.62 112.25 1him n SER 7 Ca 0.04 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.18 1him n SER 7 Cb 0.55 2.70 0.00 0.00 -1.01 0.00 0.00 64.21 66.45 1him n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1him n GLY 8 N -0.54 2.92 3.71 0.23 0.00 -1.26 -2.66 105.19 107.58 1him n GLY 8 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1him n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1him s GLY 9 N -2.42 1.54 0.13 -0.02 0.00 -1.26 -4.85 107.32 100.44 1him s GLY 9 Ca 0.00 1.34 0.01 0.00 0.00 0.00 0.00 44.72 46.07 1him s GLY 9 CO 0.00 2.71 0.16 1.34 0.00 0.00 0.00 173.10 177.31 1him n ASP 10 N 4.39 -0.43 -4.69 1.64 -0.08 -1.20 -4.72 116.55 111.46 1him n ASP 10 Ca 0.14 -1.78 -0.39 0.00 -1.51 0.00 0.00 54.79 51.25 1him n ASP 10 Cb 0.39 0.86 -0.06 0.00 2.34 0.00 0.00 41.12 44.65 1him n ASP 10 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1him s LEU 11 N 0.00 4.20 -0.02 -2.67 2.96 -1.26 -1.89 118.68 120.00 1him s LEU 11 Ca 0.13 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 1him s LEU 11 Cb 0.00 -2.74 0.02 0.00 0.50 0.00 0.00 46.19 43.97 1him s LEU 11 CO 0.09 -0.12 0.02 0.54 -1.32 0.00 0.00 176.35 175.56 1him s VAL 12 N 1.26 0.02 0.55 1.68 0.11 0.12 -4.97 120.40 119.17 1him s VAL 12 Ca 0.26 0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 59.24 1him s VAL 12 Cb -0.15 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1him s VAL 12 CO 0.10 0.09 1.29 -1.59 -3.33 0.00 0.00 175.10 171.67 1him s LYS 13 N 0.86 3.14 -0.07 1.54 0.00 -1.26 0.76 119.74 124.71 1him s LYS 13 Ca -0.08 2.07 -0.30 0.00 0.00 0.00 0.00 55.97 57.67 1him s LYS 13 Cb -0.11 -2.17 -0.08 0.00 0.00 0.00 0.00 37.83 35.47 1him s LYS 13 CO -0.02 -1.14 2.06 -2.30 0.00 0.00 0.00 175.35 173.95 1him n PRO 14 N -1.15 2.48 0.00 1.78 -0.02 -1.26 -2.07 135.00 134.76 1him n PRO 14 Ca 0.11 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1him n PRO 14 Cb 0.47 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 1him n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1him n GLY 15 N 5.01 2.65 2.95 -1.23 0.00 0.40 -4.90 105.19 110.07 1him n GLY 15 Ca 0.24 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 -2.11 3.65 -0.02 0.00 -0.88 -0.89 105.19 104.94 1him n GLY 16 Ca 0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 1him n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1him s SER 17 N -1.41 4.51 -0.11 1.61 1.04 -1.26 -2.99 113.70 115.08 1him s SER 17 Ca 0.26 -0.70 -0.23 0.00 0.48 0.00 0.00 55.95 55.76 1him s SER 17 Cb -0.01 -0.79 0.05 0.00 0.10 0.00 0.00 66.02 65.38 1him s SER 17 CO 0.33 -0.06 0.55 -0.22 0.98 0.00 0.00 173.24 174.83 1him s LEU 18 N -3.70 -0.13 -0.11 2.42 2.96 -0.05 -4.98 118.68 115.10 1him s LEU 18 Ca 0.32 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 55.00 1him s LEU 18 Cb -0.05 2.03 0.02 0.00 0.50 0.00 0.00 46.19 48.68 1him s LEU 18 CO 0.20 -0.41 -0.11 -0.75 -1.32 0.00 0.00 176.35 173.96 1him s LYS 19 N -0.61 1.84 -0.16 1.98 2.20 -1.26 0.08 119.74 123.81 1him s LYS 19 Ca -0.07 -0.41 -0.08 0.00 -0.36 0.00 0.00 55.97 55.05 1him s LYS 19 Cb -0.03 -1.69 -0.04 0.00 -1.51 0.00 0.00 37.83 34.56 1him s LYS 19 CO 0.05 -0.14 0.12 -0.51 -0.36 0.00 0.00 175.35 174.51 1him s LEU 20 N 1.25 4.20 0.28 5.43 1.43 -0.34 -4.69 118.68 126.24 1him s LEU 20 Ca -0.03 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 1him s LEU 20 Cb -0.14 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1him s LEU 20 CO -0.04 0.28 0.40 -0.44 0.23 0.00 0.00 176.35 176.78 1him s SER 21 N -0.25 6.17 -0.29 2.29 0.01 -1.09 -2.86 113.70 117.68 1him s SER 21 Ca 0.10 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.31 1him s SER 21 Cb -0.12 -1.61 0.12 0.00 0.21 0.00 0.00 66.02 64.63 1him s SER 21 CO 0.01 -0.21 0.22 0.00 0.41 0.00 0.00 173.24 173.66 1him s ALA 23 N 2.24 3.27 -0.06 0.00 0.00 -0.33 -1.10 121.76 125.78 1him s ALA 23 Ca 0.09 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.58 1him s ALA 23 Cb -0.15 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1him s ALA 23 CO -0.34 -0.40 -0.23 0.00 0.00 0.00 0.00 175.76 174.79 1him s ALA 24 N 1.45 2.00 0.13 0.00 0.00 -0.79 -1.19 121.76 123.36 1him s ALA 24 Ca 0.51 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.56 1him s ALA 24 Cb -0.20 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1him s ALA 24 CO 0.24 0.35 -0.09 -1.54 0.00 0.00 0.00 175.76 174.72 1him s SER 25 N 0.01 1.54 0.00 0.00 1.04 0.34 -4.86 113.70 111.77 1him s SER 25 Ca -0.07 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1him s SER 25 Cb -0.14 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1him s SER 25 CO 0.04 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1him n GLY 26 N -0.12 0.73 3.41 7.32 0.00 -1.26 -0.41 105.19 114.86 1him n GLY 26 Ca -0.11 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 -0.41 -0.50 1.61 -0.71 -1.26 -4.35 117.98 110.36 1him s PHE 27 Ca 0.00 0.15 -0.28 0.00 -1.04 0.00 0.00 56.93 55.77 1him s PHE 27 Cb 0.00 0.47 -0.00 0.00 -1.21 0.00 0.00 43.02 42.28 1him s PHE 27 CO 0.00 -0.83 1.62 0.45 -1.34 0.00 0.00 175.22 175.13 1him s SER 28 N -2.78 5.86 0.12 1.98 0.15 -1.26 -4.87 113.70 112.90 1him s SER 28 Ca 0.02 0.60 -0.28 0.00 0.70 0.00 0.00 55.95 56.99 1him s SER 28 Cb -0.00 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 1him s SER 28 CO -0.11 -1.86 1.61 0.15 1.20 0.00 0.00 173.24 174.23 1him h PHE 29 N 12.50 -0.91 0.00 3.44 3.57 -1.94 -2.51 116.94 131.08 1him h PHE 29 Ca -0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1him h PHE 29 Cb 1.13 0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.26 1him h PHE 29 CO 1.01 -0.43 0.56 0.77 -2.23 0.00 0.00 178.31 177.99 1him h SER 30 N -0.54 0.00 0.95 0.41 0.02 -1.89 0.08 113.55 112.57 1him h SER 30 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1him h SER 30 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1him h SER 30 CO -0.22 0.00 -0.85 0.28 -1.14 0.00 0.00 176.83 174.90 1him h SER 31 N 0.00 0.00 -4.08 3.07 0.02 -1.68 -3.40 113.55 107.48 1him h SER 31 Ca 0.00 -0.10 -0.69 0.00 -0.84 0.00 0.00 61.79 60.17 1him h SER 31 Cb 1.13 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.43 1him h SER 31 CO 0.00 0.05 -0.87 -0.31 -1.14 0.00 0.00 176.83 174.56 1him s TYR 32 N -3.28 2.29 0.57 3.45 1.51 0.01 -4.84 117.35 117.06 1him s TYR 32 Ca 0.02 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.62 1him s TYR 32 Cb 0.11 -1.29 -0.01 0.00 -0.11 0.00 0.00 41.96 40.65 1him s TYR 32 CO 0.76 0.25 0.91 0.20 -1.11 0.00 0.00 175.55 176.56 1him s GLY 33 N -1.72 1.58 0.26 0.71 0.00 -1.26 -4.01 107.32 102.88 1him s GLY 33 Ca 0.13 -0.49 0.08 0.00 0.00 0.00 0.00 44.72 44.44 1him s GLY 33 CO 0.04 -0.24 -0.11 1.06 0.00 0.00 0.00 173.10 173.85 1him s MET 34 N -4.99 1.51 0.22 2.90 1.00 -1.05 -0.04 119.30 118.85 1him s MET 34 Ca 0.52 -1.72 0.00 0.00 0.00 0.00 0.00 55.69 54.50 1him s MET 34 Cb -0.11 -1.28 -0.05 0.00 0.00 0.00 0.00 34.83 33.40 1him s MET 34 CO 0.47 0.15 0.10 -1.12 0.00 0.00 0.00 175.02 174.62 1him s SER 35 N -3.42 0.77 -0.10 3.03 0.01 0.43 -1.29 113.70 113.13 1him s SER 35 Ca 0.27 -1.36 -0.01 0.00 1.31 0.00 0.00 55.95 56.16 1him s SER 35 Cb 0.01 0.25 0.03 0.00 0.21 0.00 0.00 66.02 66.51 1him s SER 35 CO 0.11 -0.76 -0.04 0.26 0.41 0.00 0.00 173.24 173.22 1him s TRP 36 N -3.91 1.16 0.21 2.43 0.52 -0.66 -2.05 118.94 116.64 1him s TRP 36 Ca 0.37 -0.52 0.09 0.00 0.02 0.00 0.00 56.10 56.06 1him s TRP 36 Cb 0.07 -1.06 -0.04 0.00 -1.15 0.00 0.00 33.47 31.29 1him s TRP 36 CO 0.12 -0.44 -0.06 0.08 0.02 0.00 0.00 176.95 176.67 1him s VAL 37 N 1.82 3.30 0.01 4.03 1.01 -0.57 -1.52 120.40 128.48 1him s VAL 37 Ca 0.05 -1.75 0.04 0.00 0.00 0.00 0.00 61.98 60.31 1him s VAL 37 Cb -0.12 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1him s VAL 37 CO -0.07 -0.21 -0.11 -0.60 0.00 0.00 0.00 175.10 174.11 1him s ARG 38 N -3.16 0.83 -0.10 2.72 3.52 0.73 -1.55 118.95 121.95 1him s ARG 38 Ca 0.28 -0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1him s ARG 38 Cb -0.08 -0.80 0.02 0.00 -1.56 0.00 0.00 34.95 32.53 1him s ARG 38 CO 0.17 0.21 -0.09 -1.14 -0.81 0.00 0.00 175.30 173.64 1him s GLN 39 N -0.59 1.55 0.66 5.12 0.74 -0.17 0.59 119.66 127.56 1him s GLN 39 Ca 0.02 -0.29 -0.13 0.00 0.05 0.00 0.00 55.36 55.01 1him s GLN 39 Cb -0.05 -1.50 -0.01 0.00 1.10 0.00 0.00 33.01 32.54 1him s GLN 39 CO 0.00 -0.17 1.06 0.95 -0.55 0.00 0.00 175.29 176.58 1him s THR 40 N 1.37 3.87 0.33 -0.34 -4.23 0.78 -1.67 115.64 115.75 1him s THR 40 Ca -0.01 0.72 0.27 0.00 -1.18 0.00 0.00 61.69 61.48 1him s THR 40 Cb -0.14 -3.35 0.27 0.00 1.34 0.00 0.00 72.50 70.63 1him s THR 40 CO -0.04 -0.68 1.80 -0.65 -0.54 0.00 0.00 174.62 174.50 1him h PRO 41 N -0.27 0.00 -0.61 3.99 0.11 -1.89 0.40 132.00 133.73 1him h PRO 41 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1him h PRO 41 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1him h PRO 41 CO 0.56 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.10 1him n ASP 42 N -2.59 2.39 -3.43 -2.05 9.92 -1.26 -4.88 116.55 114.65 1him n ASP 42 Ca -0.02 -2.22 -0.18 0.00 -0.53 0.00 0.00 54.79 51.84 1him n ASP 42 Cb 0.24 -0.42 0.07 0.00 -0.64 0.00 0.00 41.12 40.37 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 0.31 -4.37 -4.73 -1.24 5.02 0.14 -5.01 118.16 108.29 1him n LYS 43 Ca 0.11 0.79 -0.25 0.00 -2.02 0.00 0.00 58.31 56.93 1him n LYS 43 Cb 0.48 -5.61 -0.16 0.00 -0.02 0.00 0.00 35.03 29.72 1him n LYS 43 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1him s ARG 44 N -5.17 1.76 0.02 1.97 3.52 -1.22 -4.93 118.95 114.90 1him s ARG 44 Ca 0.20 -0.52 -0.12 0.00 -0.13 0.00 0.00 55.73 55.15 1him s ARG 44 Cb -0.03 -1.49 -0.06 0.00 -1.56 0.00 0.00 34.95 31.81 1him s ARG 44 CO 0.76 0.14 0.39 -0.51 -0.81 0.00 0.00 175.30 175.27 1him s LEU 45 N 0.31 4.42 -0.04 -0.88 1.43 -1.26 -0.15 118.68 122.50 1him s LEU 45 Ca -0.09 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1him s LEU 45 Cb -0.13 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.40 1him s LEU 45 CO 0.03 0.27 0.07 -1.61 0.23 0.00 0.00 176.35 175.34 1him s GLU 46 N -1.42 -0.04 0.33 1.70 2.02 0.20 -4.95 118.70 116.54 1him s GLU 46 Ca 0.27 0.33 -0.29 0.00 0.02 0.00 0.00 54.97 55.30 1him s GLU 46 Cb -0.15 -0.36 -0.10 0.00 0.10 0.00 0.00 34.13 33.62 1him s GLU 46 CO 0.15 -0.25 1.37 -0.46 0.02 0.00 0.00 175.26 176.09 1him s TRP 47 N 1.69 2.93 0.00 1.61 -0.00 -1.26 -0.19 118.94 123.71 1him s TRP 47 Ca -0.02 1.29 0.00 0.00 -0.00 0.00 0.00 56.10 57.37 1him s TRP 47 Cb -0.12 -3.79 0.00 0.00 -0.00 0.00 0.00 33.47 29.56 1him s TRP 47 CO -0.04 -2.28 0.00 0.28 -0.00 0.00 0.00 176.95 174.92 1him n VAL 48 N 0.96 0.00 -3.61 5.86 0.31 -0.57 -4.83 118.33 116.44 1him n VAL 48 Ca 0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.27 1him n VAL 48 Cb 0.41 -0.55 -0.05 0.00 -0.91 0.00 0.00 33.84 32.73 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 -1.92 -2.02 0.19 3.52 0.00 -1.09 -4.24 121.76 116.20 1him s ALA 49 Ca 0.00 1.72 0.11 0.00 0.00 0.00 0.00 51.96 53.79 1him s ALA 49 Cb 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1him s ALA 49 CO 0.00 -0.26 -0.20 0.99 0.00 0.00 0.00 175.76 176.29 1him s THR 50 N -0.75 2.56 -0.00 0.00 2.01 -1.17 -1.65 115.64 116.64 1him s THR 50 Ca 0.03 -1.94 -0.06 0.00 0.31 0.00 0.00 61.69 60.02 1him s THR 50 Cb -0.02 -2.24 -0.00 0.00 0.01 0.00 0.00 72.50 70.25 1him s THR 50 CO -0.04 -0.12 0.11 -0.51 -0.69 0.00 0.00 174.62 173.38 1him s ILE 51 N -1.69 0.08 0.76 1.82 2.07 -0.41 -3.45 121.20 120.37 1him s ILE 51 Ca 0.22 -0.63 -0.15 0.00 -1.41 0.00 0.00 60.65 58.68 1him s ILE 51 Cb -0.08 -0.37 0.03 0.00 0.13 0.00 0.00 42.46 42.17 1him s ILE 51 CO 0.11 -0.35 1.03 -1.20 -1.91 0.00 0.00 174.94 172.63 1him n SER 52 N 1.69 0.62 0.31 4.50 7.64 -1.03 -2.53 113.62 124.82 1him n SER 52 Ca -0.22 0.63 0.19 0.00 1.01 0.00 0.00 58.87 60.49 1him n SER 52 Cb 0.56 -1.44 0.99 0.00 -1.01 0.00 0.00 64.21 63.31 1him n SER 52 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1him h ASN 52 N -0.48 0.00 0.00 6.43 -1.07 -1.85 -1.07 115.58 117.54 1him h ASN 52 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.90 1him h ASN 52 Cb 1.32 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.57 1him h ASN 52 CO 0.46 0.02 -1.84 0.61 0.07 0.00 0.00 177.43 176.75 1him n GLY 53 N -0.74 -0.91 0.00 9.14 0.00 -1.26 -4.53 105.19 106.88 1him n GLY 53 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 3.09 0.32 -0.02 0.00 -0.41 -4.97 105.19 104.57 1him n GLY 54 Ca -0.03 -0.91 0.16 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -5.54 -0.02 0.00 -1.97 -3.41 103.07 92.13 1him h GLY 55 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 1him h GLY 55 CO 0.00 0.00 -0.79 -0.19 0.00 0.00 0.00 176.54 175.56 1him s TYR 56 N -4.04 2.75 0.15 5.60 1.51 -1.26 -5.02 117.35 117.04 1him s TYR 56 Ca -0.04 -0.73 0.08 0.00 -1.01 0.00 0.00 57.07 55.38 1him s TYR 56 Cb 0.09 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 1him s TYR 56 CO 0.29 -0.25 -0.18 0.95 -1.11 0.00 0.00 175.55 175.25 1him s THR 57 N 0.33 1.71 -0.08 -0.71 -4.23 -1.26 -2.45 115.64 108.95 1him s THR 57 Ca -0.12 -1.81 -0.04 0.00 -1.18 0.00 0.00 61.69 58.54 1him s THR 57 Cb -0.16 -1.73 0.04 0.00 1.34 0.00 0.00 72.50 71.99 1him s THR 57 CO 0.06 -0.29 0.17 -0.31 -0.54 0.00 0.00 174.62 173.72 1him s TYR 58 N -1.90 -0.21 0.06 3.99 1.51 -1.22 -5.05 117.35 114.52 1him s TYR 58 Ca 0.13 0.55 -0.00 0.00 -1.01 0.00 0.00 57.07 56.74 1him s TYR 58 Cb -0.06 -0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.71 1him s TYR 58 CO 0.05 -0.17 -0.04 0.71 -1.11 0.00 0.00 175.55 174.99 1him s TYR 59 N 1.07 0.56 0.40 2.71 2.02 -1.26 -3.02 117.35 119.83 1him s TYR 59 Ca -0.08 -1.00 -0.08 0.00 -0.37 0.00 0.00 57.07 55.54 1him s TYR 59 Cb -0.10 -0.40 -0.06 0.00 -0.40 0.00 0.00 41.96 41.01 1him s TYR 59 CO -0.06 -0.32 0.73 -1.25 -1.57 0.00 0.00 175.55 173.08 1him s PRO 60 N -3.69 3.70 0.07 -1.71 0.04 -1.26 -4.95 135.00 127.20 1him s PRO 60 Ca 0.06 0.32 0.03 0.00 0.04 0.00 0.00 61.00 61.45 1him s PRO 60 Cb 0.06 -2.43 0.15 0.00 0.04 0.00 0.00 34.50 32.31 1him s PRO 60 CO -0.08 -0.03 0.90 -0.25 0.04 0.00 0.00 177.00 177.58 1him n ASP 61 N -1.44 0.07 -0.94 6.66 8.00 -1.26 -0.17 116.55 127.47 1him n ASP 61 Ca 0.01 0.35 0.12 0.00 0.71 0.00 0.00 54.79 55.98 1him n ASP 61 Cb 0.54 -0.34 0.10 0.00 -0.02 0.00 0.00 41.12 41.40 1him n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1him n SER 62 N -1.45 2.95 0.00 -2.24 7.64 -1.26 -4.47 113.62 114.78 1him n SER 62 Ca -0.00 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1him n SER 62 Cb 0.23 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1him n SER 62 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1him n VAL 63 N 1.28 0.00 -1.89 0.44 0.31 0.76 -4.95 118.33 114.29 1him n VAL 63 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.05 1him n VAL 63 Cb 0.59 -0.08 -0.03 0.00 -0.91 0.00 0.00 33.84 33.42 1him n VAL 63 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1him s LYS 64 N -1.25 4.20 0.00 5.55 1.02 -1.18 -0.66 119.74 127.42 1him s LYS 64 Ca 0.00 2.42 0.00 0.00 0.02 0.00 0.00 55.97 58.41 1him s LYS 64 Cb 0.00 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 1him s LYS 64 CO 0.00 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 1him n GLY 65 N 3.26 2.87 0.10 -3.33 0.00 -1.26 -4.80 105.19 102.03 1him n GLY 65 Ca 0.12 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 0.67 -4.43 1.61 1.74 0.16 -4.97 116.66 111.44 1him n ARG 66 Ca 0.00 0.11 -0.26 0.00 -0.77 0.00 0.00 57.85 56.93 1him n ARG 66 Cb 0.00 -1.61 -0.11 0.00 -1.02 0.00 0.00 32.46 29.71 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 2.28 -0.17 -1.55 0.08 -0.38 -4.39 117.98 111.32 1him s PHE 67 Ca -0.11 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 56.56 1him s PHE 67 Cb 0.07 -1.09 0.06 0.00 -0.57 0.00 0.00 43.02 41.49 1him s PHE 67 CO 0.81 0.56 0.04 0.99 -0.10 0.00 0.00 175.22 177.52 1him s THR 68 N -1.94 0.37 0.27 0.64 2.01 0.61 -4.79 115.64 112.82 1him s THR 68 Ca 0.23 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 1him s THR 68 Cb -0.07 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.49 1him s THR 68 CO 0.11 -0.15 1.07 -0.51 -0.69 0.00 0.00 174.62 174.45 1him s ILE 69 N 1.93 3.58 -0.01 1.82 2.07 -1.26 -1.63 121.20 127.71 1him s ILE 69 Ca 0.01 1.59 -0.14 0.00 -1.41 0.00 0.00 60.65 60.70 1him s ILE 69 Cb -0.16 -4.01 0.02 0.00 0.13 0.00 0.00 42.46 38.44 1him s ILE 69 CO -0.08 0.38 0.30 -0.55 -1.91 0.00 0.00 174.94 173.08 1him s SER 70 N -0.94 -0.17 0.07 4.50 0.15 -0.81 -4.98 113.70 111.53 1him s SER 70 Ca 0.44 0.04 -0.00 0.00 0.70 0.00 0.00 55.95 57.12 1him s SER 70 Cb -0.31 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 1him s SER 70 CO 0.39 -0.46 -0.03 0.00 1.20 0.00 0.00 173.24 174.35 1him s ARG 71 N -1.46 0.71 -0.36 5.44 1.70 -1.26 -0.71 118.95 123.01 1him s ARG 71 Ca -0.13 -1.28 0.01 0.00 -0.47 0.00 0.00 55.73 53.86 1him s ARG 71 Cb -0.05 0.12 0.11 0.00 -0.57 0.00 0.00 34.95 34.56 1him s ARG 71 CO 0.03 -0.11 0.14 0.34 -1.08 0.00 0.00 175.30 174.62 1him s ASP 72 N -2.97 4.04 0.55 -2.89 -1.08 -0.15 -4.98 116.67 109.19 1him s ASP 72 Ca 0.11 -2.09 0.31 0.00 -0.52 0.00 0.00 52.55 50.36 1him s ASP 72 Cb 0.07 -1.07 1.59 0.00 -1.46 0.00 0.00 42.92 42.05 1him s ASP 72 CO -0.07 -0.36 2.10 0.78 0.52 0.00 0.00 175.17 178.14 1him h ASN 73 N 7.51 0.00 0.49 -0.34 4.21 -1.96 0.65 115.58 126.14 1him h ASN 73 Ca -0.08 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.36 1him h ASN 73 Cb 0.98 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.17 1him h ASN 73 CO 0.49 0.08 -0.37 0.00 -1.29 0.00 0.00 177.43 176.34 1him h ALA 74 N 1.92 1.25 -0.27 -0.83 0.00 -1.97 -2.87 119.26 116.49 1him h ALA 74 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1him h ALA 74 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1him h ALA 74 CO 0.01 0.46 0.00 1.63 0.00 0.00 0.00 179.25 181.35 1him n LYS 75 N -3.89 2.11 -3.82 0.00 5.02 0.02 -5.00 118.16 112.60 1him n LYS 75 Ca -0.01 -1.85 -0.25 0.00 -2.02 0.00 0.00 58.31 54.17 1him n LYS 75 Cb 0.43 -1.31 0.02 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.76 -2.12 -3.92 4.39 4.13 -0.05 -4.90 115.26 113.56 1him n ASN 76 Ca 0.12 -0.84 -0.16 0.00 1.68 0.00 0.00 54.58 55.38 1him n ASN 76 Cb 0.42 -3.81 -0.15 0.00 -1.54 0.00 0.00 39.78 34.70 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 -3.60 0.32 0.44 3.41 -4.23 -1.14 -1.88 115.64 108.97 1him s THR 77 Ca 0.21 -0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 1him s THR 77 Cb -0.11 -0.30 -0.01 0.00 1.34 0.00 0.00 72.50 73.42 1him s THR 77 CO 0.83 0.11 0.67 -0.76 -0.54 0.00 0.00 174.62 174.94 1him s LEU 78 N 0.16 3.68 0.05 4.79 1.43 -0.26 -0.98 118.68 127.56 1him s LEU 78 Ca -0.01 0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.43 1him s LEU 78 Cb -0.05 -3.28 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 1him s LEU 78 CO -0.00 -0.64 0.10 -0.31 0.23 0.00 0.00 176.35 175.73 1him s TYR 79 N -2.56 0.23 -0.18 0.29 2.02 0.11 -1.35 117.35 115.92 1him s TYR 79 Ca 0.47 -0.60 -0.04 0.00 -0.37 0.00 0.00 57.07 56.53 1him s TYR 79 Cb -0.10 -0.16 0.09 0.00 -0.40 0.00 0.00 41.96 41.40 1him s TYR 79 CO 0.39 -0.41 0.30 -1.17 -1.57 0.00 0.00 175.55 173.08 1him s LEU 80 N -2.43 -0.37 -0.14 -1.29 2.96 -1.14 -1.93 118.68 114.34 1him s LEU 80 Ca -0.01 0.35 -0.17 0.00 -0.22 0.00 0.00 54.13 54.08 1him s LEU 80 Cb 0.02 0.80 -0.04 0.00 0.50 0.00 0.00 46.19 47.46 1him s LEU 80 CO -0.07 -0.27 0.45 -1.58 -1.32 0.00 0.00 176.35 173.55 1him s GLN 81 N 2.45 4.30 0.26 1.98 2.00 -0.65 -1.19 119.66 128.81 1him s GLN 81 Ca 0.05 0.37 0.11 0.00 -2.00 0.00 0.00 55.36 53.89 1him s GLN 81 Cb -0.14 -3.46 -0.05 0.00 0.80 0.00 0.00 33.01 30.17 1him s GLN 81 CO -0.12 0.12 -0.18 -1.64 -0.50 0.00 0.00 175.29 172.98 1him s MET 82 N 0.77 1.74 -0.78 1.67 -1.94 0.11 -0.28 119.30 120.60 1him s MET 82 Ca 0.24 -1.66 -0.09 0.00 -1.71 0.00 0.00 55.69 52.47 1him s MET 82 Cb -0.15 -1.85 0.01 0.00 2.01 0.00 0.00 34.83 34.85 1him s MET 82 CO 0.09 0.35 0.17 0.43 -0.01 0.00 0.00 175.02 176.05 1him n SER 82 N -0.46 -0.74 -4.74 3.03 7.64 -1.02 -0.87 113.62 116.47 1him n SER 82 Ca -0.07 -0.72 -0.41 0.00 1.01 0.00 0.00 58.87 58.68 1him n SER 82 Cb 0.59 -0.88 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 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 -5.87 4.44 0.36 -3.43 2.01 -0.07 -4.74 118.68 111.37 1him s LEU 82 Ca 0.13 2.27 0.08 0.00 0.01 0.00 0.00 54.13 56.62 1him s LEU 82 Cb -0.07 -3.61 -0.05 0.00 0.01 0.00 0.00 46.19 42.47 1him s LEU 82 CO 0.55 -0.42 0.09 -0.54 1.01 0.00 0.00 176.35 177.04 1him s LYS 83 N -0.14 2.19 0.03 1.70 1.02 -1.26 0.15 119.74 123.43 1him s LYS 83 Ca 0.54 -1.73 -0.25 0.00 0.02 0.00 0.00 55.97 54.56 1him s LYS 83 Cb -0.34 -2.00 -0.18 0.00 -0.52 0.00 0.00 37.83 34.80 1him s LYS 83 CO 0.37 0.06 1.47 0.77 -0.92 0.00 0.00 175.35 177.10 1him h SER 84 N 1.64 -0.04 0.00 2.83 0.02 -1.96 -2.25 113.55 113.81 1him h SER 84 Ca -0.43 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 1him h SER 84 Cb 1.25 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1him h SER 84 CO 0.67 0.23 0.13 -1.84 -1.14 0.00 0.00 176.83 174.88 1him n GLU 85 N -4.98 0.00 0.00 3.45 0.00 -1.26 -1.04 120.64 116.80 1him n GLU 85 Ca -0.08 0.32 0.14 0.00 0.00 0.00 0.00 57.16 57.53 1him n GLU 85 Cb 0.16 -1.63 0.44 0.00 0.00 0.00 0.00 31.44 30.41 1him n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1him n ASP 86 N -1.30 1.72 -4.73 -1.84 8.00 -0.84 -4.92 116.55 112.63 1him n ASP 86 Ca 0.00 -1.54 -0.41 0.00 0.71 0.00 0.00 54.79 53.55 1him n ASP 86 Cb 0.13 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 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 -2.04 6.86 0.00 -2.24 0.01 -0.21 -4.85 113.70 111.23 1him s SER 87 Ca 0.35 2.41 0.00 0.00 1.31 0.00 0.00 55.95 60.02 1him s SER 87 Cb 0.21 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1him s SER 87 CO 0.35 -0.56 0.00 0.00 0.41 0.00 0.00 173.24 173.43 1him n ALA 88 N 2.81 0.00 -2.71 1.44 0.00 -0.34 -4.57 120.51 117.15 1him n ALA 88 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 1him n ALA 88 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 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 4.15 -0.21 0.00 -2.45 -0.67 -0.55 119.30 117.58 1him s MET 89 Ca 0.00 0.15 -0.03 0.00 -1.25 0.00 0.00 55.69 54.56 1him s MET 89 Cb 0.00 -3.38 -0.01 0.00 1.25 0.00 0.00 34.83 32.69 1him s MET 89 CO 0.00 0.33 -0.06 0.71 1.05 0.00 0.00 175.02 177.05 1him s TYR 90 N 0.16 2.94 -0.07 4.11 1.51 0.55 -1.00 117.35 125.55 1him s TYR 90 Ca 0.18 -0.96 -0.01 0.00 -1.01 0.00 0.00 57.07 55.27 1him s TYR 90 Cb -0.14 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.61 1him s TYR 90 CO 0.06 -0.54 0.00 0.71 -1.11 0.00 0.00 175.55 174.67 1him s TYR 91 N 1.37 3.14 -0.09 2.71 2.02 -0.59 -1.70 117.35 124.20 1him s TYR 91 Ca 0.04 0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 56.89 1him s TYR 91 Cb -0.14 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1him s TYR 91 CO -0.03 0.46 0.00 0.00 -1.57 0.00 0.00 175.55 174.41 1him s ALA 93 N -0.74 1.89 0.07 0.00 0.00 -0.87 -0.81 121.76 121.30 1him s ALA 93 Ca 0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 1him s ALA 93 Cb -0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1him s ALA 93 CO 0.02 0.26 0.28 0.50 0.00 0.00 0.00 175.76 176.82 1him s ARG 94 N -2.52 3.54 0.09 0.00 3.52 -0.76 -0.43 118.95 122.39 1him s ARG 94 Ca 0.12 -0.22 -0.24 0.00 -0.13 0.00 0.00 55.73 55.26 1him s ARG 94 Cb -0.07 -2.98 -0.06 0.00 -1.56 0.00 0.00 34.95 30.27 1him s ARG 94 CO 0.05 0.57 0.74 1.03 -0.81 0.00 0.00 175.30 176.89 1him s ARG 95 N -2.36 4.49 -1.22 5.12 1.81 0.94 -4.38 118.95 123.35 1him s ARG 95 Ca 0.35 1.05 -0.16 0.00 -1.72 0.00 0.00 55.73 55.25 1him s ARG 95 Cb -0.13 -3.31 0.13 0.00 -0.45 0.00 0.00 34.95 31.19 1him s ARG 95 CO 0.23 0.43 1.53 -1.21 -0.68 0.00 0.00 175.30 175.61 1him s GLU 96 N -0.56 4.01 0.21 3.54 0.41 -1.26 -4.30 118.70 120.75 1him s GLU 96 Ca 0.36 -2.26 -0.10 0.00 -0.41 0.00 0.00 54.97 52.57 1him s GLU 96 Cb -0.21 -5.25 0.31 0.00 -1.78 0.00 0.00 34.13 27.20 1him s GLU 96 CO 0.23 -1.97 1.68 -0.09 -0.49 0.00 0.00 175.26 174.62 1him h ARG 97 N 7.51 0.18 0.06 1.61 2.43 -1.93 0.22 114.38 124.46 1him h ARG 97 Ca 0.35 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1him h ARG 97 Cb 0.89 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1him h ARG 97 CO 1.33 0.12 -0.03 1.88 -1.51 0.00 0.00 179.97 181.76 1him h TYR 98 N 0.18 -0.07 -0.01 2.20 0.05 -1.92 -3.39 116.97 114.01 1him h TYR 98 Ca 0.33 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.11 1him h TYR 98 Cb 0.52 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1him h TYR 98 CO -0.31 0.40 -0.37 -0.25 -1.05 0.00 0.00 178.16 176.57 1him n ASP 99 N -4.77 1.30 -3.90 3.88 8.00 -1.09 -4.96 116.55 115.01 1him n ASP 99 Ca -0.06 -1.05 -0.39 0.00 0.71 0.00 0.00 54.79 54.01 1him n ASP 99 Cb 0.24 0.29 0.03 0.00 -0.02 0.00 0.00 41.12 41.65 1him n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1him n GLU 100 N -0.55 -0.85 -3.19 -1.24 1.02 0.75 -4.96 120.64 111.62 1him n GLU 100 Ca 0.10 0.26 -0.20 0.00 -0.02 0.00 0.00 57.16 57.30 1him n GLU 100 Cb 0.38 -3.36 -0.04 0.00 -0.02 0.00 0.00 31.44 28.40 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 -2.45 0.54 0.00 1.62 6.94 -1.26 -5.04 115.26 115.61 1him n ASN 100 Ca -0.12 -2.89 0.00 0.00 -0.02 0.00 0.00 54.58 51.55 1him n ASN 100 Cb 0.59 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1him n ASN 100 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1him n GLY 100 N 0.72 -0.77 3.39 4.83 0.00 -1.26 -4.63 105.19 107.48 1him n GLY 100 Ca 0.23 -1.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.38 3.04 0.09 1.61 0.08 -1.26 -4.41 117.98 114.74 1him s PHE 100 Ca 0.00 -0.85 0.00 0.00 0.12 0.00 0.00 56.93 56.20 1him s PHE 100 Cb 0.00 -3.82 -0.25 0.00 -0.57 0.00 0.00 43.02 38.38 1him s PHE 100 CO 0.00 -1.18 1.18 0.00 -0.10 0.00 0.00 175.22 175.12 1him h ALA 101 N 9.09 0.21 -3.11 5.36 0.00 -1.82 -3.46 119.26 125.53 1him h ALA 101 Ca -0.29 -0.91 -0.67 0.00 0.00 0.00 0.00 54.91 53.05 1him h ALA 101 Cb 1.09 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 18.51 1him h ALA 101 CO 1.05 1.09 -0.80 0.71 0.00 0.00 0.00 179.25 181.30 1him s TYR 102 N -2.67 2.90 0.17 0.00 2.02 -1.26 -5.03 117.35 113.46 1him s TYR 102 Ca -0.02 -1.47 0.07 0.00 -0.37 0.00 0.00 57.07 55.28 1him s TYR 102 Cb 0.08 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1him s TYR 102 CO 0.86 -0.73 0.01 -1.58 -1.57 0.00 0.00 175.55 172.54 1him s TRP 103 N 1.34 2.87 0.00 2.71 0.52 -1.26 -1.83 118.94 123.29 1him s TRP 103 Ca 0.04 -0.12 0.00 0.00 0.02 0.00 0.00 56.10 56.04 1him s TRP 103 Cb -0.14 -1.40 0.00 0.00 -1.15 0.00 0.00 33.47 30.78 1him s TRP 103 CO -0.09 0.51 0.00 0.41 0.02 0.00 0.00 176.95 177.81 1him n GLY 104 N -0.07 0.50 1.25 0.98 0.00 0.01 -4.61 105.19 103.25 1him n GLY 104 Ca -0.10 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.15 1him n GLY 104 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1him n GLN 105 N -0.34 3.62 -0.55 1.61 -0.06 -1.25 -4.86 117.38 115.55 1him n GLN 105 Ca 0.00 -2.93 0.07 0.00 -2.00 0.00 0.00 57.00 52.13 1him n GLN 105 Cb 0.00 -1.97 -0.03 0.00 -4.06 0.00 0.00 30.24 24.17 1him n GLN 105 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1him n GLY 106 N -0.05 -2.52 3.37 1.69 0.00 -1.26 -5.00 105.19 101.43 1him n GLY 106 Ca 0.23 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.92 -0.01 -0.09 2.61 -1.32 -0.69 -4.53 115.64 108.68 1him s THR 107 Ca 0.00 0.03 -0.04 0.00 -1.21 0.00 0.00 61.69 60.47 1him s THR 107 Cb 0.00 -0.68 -0.04 0.00 -1.51 0.00 0.00 72.50 70.27 1him s THR 107 CO 0.00 0.01 0.08 -0.22 -2.21 0.00 0.00 174.62 172.28 1him s LEU 108 N 0.73 4.00 -0.12 9.08 2.96 -1.26 -0.33 118.68 133.73 1him s LEU 108 Ca -0.04 0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.19 1him s LEU 108 Cb -0.05 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.66 1him s LEU 108 CO -0.05 0.38 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.49 1him s VAL 109 N -0.99 1.74 -0.29 1.68 1.01 0.29 -3.24 120.40 120.60 1him s VAL 109 Ca 0.15 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1him s VAL 109 Cb -0.12 -1.56 0.06 0.00 0.00 0.00 0.00 36.38 34.76 1him s VAL 109 CO 0.04 0.49 -0.03 -0.89 0.00 0.00 0.00 175.10 174.71 1him s THR 110 N 0.96 2.55 -0.63 3.92 2.01 -0.79 -1.20 115.64 122.46 1him s THR 110 Ca -0.06 -1.66 -0.28 0.00 0.31 0.00 0.00 61.69 60.00 1him s THR 110 Cb -0.15 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.84 1him s THR 110 CO -0.03 -0.17 1.23 -0.69 -0.69 0.00 0.00 174.62 174.27 1him s VAL 111 N 1.13 3.92 -0.20 3.82 1.01 -1.25 -0.70 120.40 128.13 1him s VAL 111 Ca -0.04 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 1him s VAL 111 Cb -0.20 -4.77 0.15 0.00 0.00 0.00 0.00 36.38 31.56 1him s VAL 111 CO -0.04 -1.49 1.12 -0.55 0.00 0.00 0.00 175.10 174.14 1him s SER 112 N 3.25 -0.26 -0.25 3.32 0.15 0.23 -4.57 113.70 115.57 1him s SER 112 Ca 0.41 0.28 0.13 0.00 0.70 0.00 0.00 55.95 57.47 1him s SER 112 Cb -0.08 0.21 0.68 0.00 -1.71 0.00 0.00 66.02 65.13 1him s SER 112 CO 0.22 -0.24 1.64 0.00 1.20 0.00 0.00 173.24 176.07 1him n ALA 113 N 0.65 3.86 -2.29 5.45 0.00 -1.26 -4.00 120.51 122.92 1him n ALA 113 Ca -0.07 -2.29 -0.30 0.00 0.00 0.00 0.00 53.44 50.78 1him n ALA 113 Cb 0.58 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 1him n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1him s ALA 114 N -2.91 3.44 0.28 0.00 0.00 -1.26 -5.04 121.76 116.27 1him s ALA 114 Ca 0.50 -0.26 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 1him s ALA 114 Cb 0.40 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.85 1him s ALA 114 CO 0.12 0.17 0.72 0.15 0.00 0.00 0.00 175.76 176.91 1him s LYS 115 N -3.52 4.07 -0.26 0.00 1.02 -1.26 -4.97 119.74 114.83 1him s LYS 115 Ca 0.49 0.71 -0.28 0.00 0.02 0.00 0.00 55.97 56.92 1him s LYS 115 Cb -0.10 -2.61 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 1him s LYS 115 CO 0.28 0.25 2.19 0.99 -0.92 0.00 0.00 175.35 178.14 1him s THR 116 N -1.80 3.06 -0.09 2.17 2.01 -1.26 -4.61 115.64 115.12 1him s THR 116 Ca 0.50 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.59 1him s THR 116 Cb -0.13 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 1him s THR 116 CO 0.19 -0.06 -0.19 -0.89 -0.69 0.00 0.00 174.62 172.98 1him s THR 117 N 8.53 2.60 0.37 -0.82 2.01 0.22 -4.89 115.64 123.66 1him s THR 117 Ca 0.98 -0.85 -0.24 0.00 0.31 0.00 0.00 61.69 61.89 1him s THR 117 Cb -0.30 -2.02 -0.10 0.00 0.01 0.00 0.00 72.50 70.08 1him s THR 117 CO 0.34 0.56 0.95 0.00 -0.69 0.00 0.00 174.62 175.77 1him s ALA 118 N -0.00 3.13 0.77 7.40 0.00 -1.26 -0.34 121.76 131.46 1him s ALA 118 Ca -0.06 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 1him s ALA 118 Cb -0.15 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 19.85 1him s ALA 118 CO 0.05 0.15 1.08 -1.25 0.00 0.00 0.00 175.76 175.79 1him s PRO 119 N -2.55 2.33 -0.25 0.00 0.04 -1.26 -4.53 135.00 128.79 1him s PRO 119 Ca 0.55 0.80 -0.19 0.00 0.04 0.00 0.00 61.00 62.21 1him s PRO 119 Cb -0.14 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1him s PRO 119 CO 0.19 -1.49 0.55 -1.12 0.04 0.00 0.00 177.00 175.17 1him s SER 120 N -3.79 6.50 -0.28 6.66 0.01 0.34 -4.89 113.70 118.25 1him s SER 120 Ca 0.60 0.61 -0.09 0.00 1.31 0.00 0.00 55.95 58.37 1him s SER 120 Cb -0.15 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 1him s SER 120 CO 0.55 -0.30 0.14 -0.69 0.41 0.00 0.00 173.24 173.35 1him s VAL 121 N 2.27 4.73 -0.21 3.43 1.01 -1.26 -1.24 120.40 129.12 1him s VAL 121 Ca 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1him s VAL 121 Cb -0.16 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1him s VAL 121 CO 0.09 0.21 -0.10 -0.31 0.00 0.00 0.00 175.10 174.99 1him s TYR 122 N 1.66 2.93 -0.07 5.22 2.02 0.12 -4.99 117.35 124.24 1him s TYR 122 Ca 0.06 -1.34 -0.30 0.00 -0.37 0.00 0.00 57.07 55.13 1him s TYR 122 Cb -0.16 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 1him s TYR 122 CO 0.07 -0.68 1.35 -1.25 -1.57 0.00 0.00 175.55 173.47 1him s PRO 123 N 1.38 4.27 -0.56 -1.71 0.04 -1.26 -0.53 135.00 136.62 1him s PRO 123 Ca 0.04 1.84 -0.04 0.00 0.04 0.00 0.00 61.00 62.88 1him s PRO 123 Cb -0.14 -3.68 0.15 0.00 0.04 0.00 0.00 34.50 30.86 1him s PRO 123 CO -0.07 -0.63 0.38 -0.51 0.04 0.00 0.00 177.00 176.22 1him s LEU 124 N 2.92 5.39 0.37 -3.56 1.43 -0.23 -4.98 118.68 120.01 1him s LEU 124 Ca 0.61 -2.50 -0.24 0.00 -1.03 0.00 0.00 54.13 50.96 1him s LEU 124 Cb -0.27 -1.89 -0.09 0.00 0.03 0.00 0.00 46.19 43.97 1him s LEU 124 CO 0.22 -0.47 1.01 0.00 0.23 0.00 0.00 176.35 177.34 1him s ALA 125 N 0.46 3.13 0.79 4.21 0.00 -1.26 -1.35 121.76 127.74 1him s ALA 125 Ca 0.13 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.59 1him s ALA 125 Cb -0.21 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.74 1him s ALA 125 CO -0.04 -0.05 1.10 -1.25 0.00 0.00 0.00 175.76 175.52 1him s PRO 126 N -2.40 2.11 0.36 0.00 0.04 -1.26 -4.99 135.00 128.86 1him s PRO 126 Ca 0.55 0.64 0.15 0.00 0.04 0.00 0.00 61.00 62.39 1him s PRO 126 Cb -0.20 -1.92 0.69 0.00 0.04 0.00 0.00 34.50 33.11 1him s PRO 126 CO 0.25 -1.60 1.77 -0.24 0.04 0.00 0.00 177.00 177.22 1him h VAL 127 N -1.08 1.15 0.00 -0.36 3.04 -1.96 -3.45 116.25 113.60 1him h VAL 127 Ca -0.47 -1.48 0.00 0.00 -1.01 0.00 0.00 66.70 63.74 1him h VAL 127 Cb 1.27 1.83 0.00 0.00 -2.01 0.00 0.00 31.29 32.37 1him h VAL 127 CO 0.59 0.40 0.00 0.61 -1.01 0.00 0.00 177.57 178.17 1him n GLY 135 N -0.14 0.28 0.17 3.17 0.00 -1.26 -4.96 105.19 102.44 1him n GLY 135 Ca -0.01 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 -0.43 -2.51 1.61 0.02 -1.99 -3.34 113.55 106.90 1him h SER 136 Ca 0.00 0.03 -0.49 0.00 -0.84 0.00 0.00 61.79 60.49 1him h SER 136 Cb 0.00 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1him h SER 136 CO 0.00 -0.24 -0.37 -0.55 -1.14 0.00 0.00 176.83 174.54 1him s SER 137 N -2.85 6.33 -0.12 3.07 0.15 -1.26 -1.20 113.70 117.82 1him s SER 137 Ca -0.06 0.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.79 1him s SER 137 Cb 0.01 -1.93 0.05 0.00 -1.71 0.00 0.00 66.02 62.43 1him s SER 137 CO 0.20 -0.09 0.07 -0.69 1.20 0.00 0.00 173.24 173.93 1him s VAL 138 N -1.99 -0.06 -0.14 4.45 1.01 -0.29 -4.67 120.40 118.72 1him s VAL 138 Ca 0.36 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.30 1him s VAL 138 Cb -0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1him s VAL 138 CO 0.30 -0.09 0.17 -0.89 0.00 0.00 0.00 175.10 174.59 1him s THR 139 N 2.13 5.42 0.20 3.92 2.01 -1.26 -0.75 115.64 127.32 1him s THR 139 Ca 0.03 0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.39 1him s THR 139 Cb -0.14 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1him s THR 139 CO -0.07 0.54 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.51 1him s LEU 140 N -0.50 2.55 0.30 4.42 1.43 0.06 -4.50 118.68 122.45 1him s LEU 140 Ca 0.14 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 1him s LEU 140 Cb -0.12 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 1him s LEU 140 CO 0.03 -0.19 0.15 -0.83 0.23 0.00 0.00 176.35 175.74 1him s GLY 141 N -3.31 2.05 -0.11 -3.19 0.00 -0.46 -1.18 107.32 101.13 1him s GLY 141 Ca 0.22 -1.75 -0.05 0.00 0.00 0.00 0.00 44.72 43.14 1him s GLY 141 CO 0.07 -1.60 0.25 0.00 0.00 0.00 0.00 173.10 171.81 1him s LEU 143 N 1.34 3.48 -0.23 0.00 2.96 0.31 -1.17 118.68 125.37 1him s LEU 143 Ca -0.09 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1him s LEU 143 Cb -0.10 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.71 1him s LEU 143 CO -0.09 0.09 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.27 1him s VAL 144 N 0.89 2.98 -0.03 1.68 1.01 0.17 -0.71 120.40 126.40 1him s VAL 144 Ca 0.02 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1him s VAL 144 Cb -0.14 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1him s VAL 144 CO 0.02 0.33 -0.18 -0.54 0.00 0.00 0.00 175.10 174.73 1him s LYS 145 N 1.38 1.64 -0.64 2.72 1.02 -0.38 -1.49 119.74 124.01 1him s LYS 145 Ca 0.03 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.34 1him s LYS 145 Cb -0.15 -1.52 -0.03 0.00 -0.52 0.00 0.00 37.83 35.61 1him s LYS 145 CO -0.05 0.34 0.57 0.41 -0.92 0.00 0.00 175.35 175.70 1him n GLY 146 N 2.82 -0.58 3.29 -3.33 0.00 0.98 -0.50 105.19 107.87 1him n GLY 146 Ca -0.16 0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.19 1.44 -0.25 1.61 1.13 -1.08 -4.17 117.35 112.85 1him s TYR 147 Ca 0.23 -0.75 -0.19 0.00 -1.41 0.00 0.00 57.07 54.95 1him s TYR 147 Cb -0.03 -0.75 0.07 0.00 -1.10 0.00 0.00 41.96 40.15 1him s TYR 147 CO 0.49 0.13 0.64 0.12 -2.51 0.00 0.00 175.55 174.42 1him s PHE 148 N -3.26 -0.83 0.00 -3.49 5.36 0.54 -1.52 117.98 114.79 1him s PHE 148 Ca 0.21 1.84 0.00 0.00 -0.96 0.00 0.00 56.93 58.02 1him s PHE 148 Cb 0.03 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 1him s PHE 148 CO 0.04 -0.41 0.00 -0.35 -1.46 0.00 0.00 175.22 173.04 1him n PRO 149 N 3.42 0.78 -1.19 10.12 -0.04 -1.26 -0.61 135.00 146.22 1him n PRO 149 Ca -0.17 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.98 1him n PRO 149 Cb 0.57 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.13 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 -1.73 2.09 0.56 0.54 0.41 -1.26 -4.70 118.70 114.62 1him s GLU 150 Ca 0.00 1.21 0.05 0.00 -0.41 0.00 0.00 54.97 55.81 1him s GLU 150 Cb 0.00 -1.88 0.06 0.00 -1.78 0.00 0.00 34.13 30.53 1him s GLU 150 CO 0.00 -1.77 0.77 -1.25 -0.49 0.00 0.00 175.26 172.52 1him s PRO 151 N -4.88 2.38 0.27 0.39 0.04 -1.26 -5.00 135.00 126.95 1him s PRO 151 Ca 0.62 -1.19 0.11 0.00 0.04 0.00 0.00 61.00 60.58 1him s PRO 151 Cb -0.18 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 1him s PRO 151 CO 0.56 -0.78 -0.12 0.14 0.04 0.00 0.00 177.00 176.84 1him s VAL 152 N -2.70 2.88 -0.13 -0.36 -7.23 -1.26 -4.43 120.40 107.16 1him s VAL 152 Ca 0.60 -2.20 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1him s VAL 152 Cb -0.08 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.36 1him s VAL 152 CO 0.38 -0.39 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.74 1him s THR 153 N -2.42 1.65 -0.18 5.32 2.01 -0.60 -4.99 115.64 116.42 1him s THR 153 Ca 0.30 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 1him s THR 153 Cb -0.06 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 1him s THR 153 CO 0.17 0.47 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.27 1him s LEU 154 N 1.19 2.83 0.10 4.42 0.20 -1.26 -2.67 118.68 123.49 1him s LEU 154 Ca -0.01 -0.35 0.07 0.00 0.69 0.00 0.00 54.13 54.52 1him s LEU 154 Cb -0.14 -1.69 -0.03 0.00 -0.43 0.00 0.00 46.19 43.90 1him s LEU 154 CO -0.06 0.07 -0.17 0.42 -0.29 0.00 0.00 176.35 176.32 1him s THR 156 N 0.96 1.42 -0.23 3.68 -4.23 -0.40 -4.93 115.64 111.90 1him s THR 156 Ca -0.01 -1.51 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 1him s THR 156 Cb -0.15 -1.39 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 1him s THR 156 CO -0.00 -0.21 -0.01 0.26 -0.54 0.00 0.00 174.62 174.11 1him s TRP 157 N -1.46 2.99 -1.19 3.99 0.52 -1.26 0.45 118.94 122.99 1him s TRP 157 Ca 0.04 -0.84 -0.21 0.00 0.02 0.00 0.00 56.10 55.11 1him s TRP 157 Cb -0.09 -2.14 0.00 0.00 -1.15 0.00 0.00 33.47 30.10 1him s TRP 157 CO 0.03 -0.51 0.72 0.09 0.02 0.00 0.00 176.95 177.30 1him n ASN 162 N 4.83 -4.44 -4.21 2.95 3.02 0.45 -2.44 115.26 115.41 1him n ASN 162 Ca -0.18 -1.08 -0.32 0.00 -0.03 0.00 0.00 54.58 52.97 1him n ASN 162 Cb 0.51 -2.96 -0.06 0.00 -0.61 0.00 0.00 39.78 36.66 1him n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1him n SER 163 N -2.60 -0.83 0.00 6.41 7.64 -1.26 -0.93 113.62 122.06 1him n SER 163 Ca -0.12 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.63 1him n SER 163 Cb 0.60 -2.33 0.00 0.00 -1.01 0.00 0.00 64.21 61.47 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 -1.90 0.58 0.14 0.23 0.00 -1.13 -4.81 105.19 98.29 1him n GLY 164 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1him n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1him h SER 165 N 0.00 0.58 -3.60 1.61 0.02 -1.13 -3.42 113.55 107.61 1him h SER 165 Ca 0.00 -0.94 -0.62 0.00 -0.84 0.00 0.00 61.79 59.39 1him h SER 165 Cb 0.05 -0.19 -0.13 0.00 0.14 0.00 0.00 62.40 62.28 1him h SER 165 CO 0.00 1.80 -0.05 -0.22 -1.14 0.00 0.00 176.83 177.22 1him s LEU 166 N -7.27 4.05 -0.05 5.07 0.20 -1.02 -4.80 118.68 114.86 1him s LEU 166 Ca -0.17 0.49 0.05 0.00 0.69 0.00 0.00 54.13 55.19 1him s LEU 166 Cb 0.06 -2.62 0.12 0.00 -0.43 0.00 0.00 46.19 43.31 1him s LEU 166 CO 0.84 -0.26 1.09 -1.20 -0.29 0.00 0.00 176.35 176.52 1him n SER 167 N 5.47 -0.74 -3.92 3.68 7.64 -1.26 -4.27 113.62 120.23 1him n SER 167 Ca -0.05 -2.03 -0.15 0.00 1.01 0.00 0.00 58.87 57.65 1him n SER 167 Cb 0.50 0.25 -0.15 0.00 -1.01 0.00 0.00 64.21 63.80 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 -1.21 0.48 -1.27 6.43 0.01 -1.26 -4.78 113.70 112.10 1him s SER 168 Ca 0.06 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.23 1him s SER 168 Cb 0.11 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1him s SER 168 CO -0.04 0.02 0.30 0.61 0.41 0.00 0.00 173.24 174.54 1him n GLY 169 N 3.22 -0.27 3.73 3.44 0.00 -1.26 -4.60 105.19 109.45 1him n GLY 169 Ca -0.16 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.95 4.48 -0.20 1.61 1.01 -1.26 -1.26 120.40 121.83 1him s VAL 171 Ca 0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1him s VAL 171 Cb -0.06 -2.99 0.06 0.00 0.00 0.00 0.00 36.38 33.39 1him s VAL 171 CO 0.18 0.44 0.02 -1.00 0.00 0.00 0.00 175.10 174.74 1him s HIS 172 N -1.07 1.21 -0.21 5.22 3.76 0.12 -4.96 115.29 119.36 1him s HIS 172 Ca 0.19 -0.97 -0.05 0.00 -0.15 0.00 0.00 55.06 54.08 1him s HIS 172 Cb -0.12 -1.10 -0.02 0.00 1.11 0.00 0.00 32.58 32.45 1him s HIS 172 CO 0.09 -0.63 0.00 0.99 -0.85 0.00 0.00 174.74 174.35 1him s THR 173 N 1.79 3.90 0.16 1.30 2.01 -1.26 0.00 115.64 123.55 1him s THR 173 Ca -0.02 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 1him s THR 173 Cb -0.17 -2.77 -0.07 0.00 0.01 0.00 0.00 72.50 69.50 1him s THR 173 CO -0.08 0.42 0.51 -0.36 -0.69 0.00 0.00 174.62 174.42 1him s PHE 174 N 1.14 3.53 0.27 4.92 0.08 -0.81 -5.04 117.98 122.07 1him s PHE 174 Ca 0.03 0.91 -0.31 0.00 0.12 0.00 0.00 56.93 57.68 1him s PHE 174 Cb -0.14 -2.26 -0.12 0.00 -0.57 0.00 0.00 43.02 39.92 1him s PHE 174 CO 0.01 0.39 1.55 -2.30 -0.10 0.00 0.00 175.22 174.77 1him n PRO 175 N 0.46 2.48 -2.45 0.24 -0.02 -1.26 -4.47 135.00 129.98 1him n PRO 175 Ca -0.04 0.88 -0.40 0.00 -2.02 0.00 0.00 63.50 61.92 1him n PRO 175 Cb 0.52 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 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 0.08 3.41 0.00 3.55 0.00 -1.26 -4.87 121.76 122.67 1him s ALA 176 Ca 0.66 0.92 0.05 0.00 0.00 0.00 0.00 51.96 53.59 1him s ALA 176 Cb -0.55 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 1him s ALA 176 CO 0.48 -0.19 -0.15 0.08 0.00 0.00 0.00 175.76 175.98 1him s VAL 177 N -1.15 3.04 -0.32 0.00 1.01 -0.08 -4.94 120.40 117.96 1him s VAL 177 Ca 0.45 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1him s VAL 177 Cb -0.32 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1him s VAL 177 CO 0.42 0.44 0.59 -0.22 0.00 0.00 0.00 175.10 176.32 1him s LEU 178 N -1.18 4.20 0.00 3.92 2.96 -1.26 -1.83 118.68 125.48 1him s LEU 178 Ca 0.14 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 1him s LEU 178 Cb -0.11 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.85 1him s LEU 178 CO 0.04 -0.48 0.00 0.00 -1.32 0.00 0.00 176.35 174.59 1him n GLN 179 N 5.84 0.62 -1.90 1.98 6.02 0.29 -4.89 117.38 125.34 1him n GLN 179 Ca -0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 1him n GLN 179 Cb 0.49 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.69 1him n GLN 179 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1him s SER 180 N -1.00 4.74 0.00 1.08 0.01 -1.26 -3.23 113.70 114.04 1him s SER 180 Ca 0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1him s SER 180 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1him s SER 180 CO 0.00 -3.12 0.00 0.47 0.41 0.00 0.00 173.24 171.00 1him n ASP 183 N 15.49 -2.49 -4.48 2.44 9.92 -1.26 -4.94 116.55 131.23 1him n ASP 183 Ca 0.42 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.40 1him n ASP 183 Cb 0.46 -2.79 -0.11 0.00 -0.64 0.00 0.00 41.12 38.03 1him n ASP 183 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1him s LEU 184 N 0.00 2.65 0.36 0.64 1.43 -1.20 -4.85 118.68 117.71 1him s LEU 184 Ca 0.00 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1him s LEU 184 Cb 0.00 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 1him s LEU 184 CO 0.00 0.16 0.35 -0.31 0.23 0.00 0.00 176.35 176.78 1him s TYR 185 N -1.28 2.87 -0.21 0.29 2.02 -0.57 0.11 117.35 120.58 1him s TYR 185 Ca 0.19 -0.35 -0.19 0.00 -0.37 0.00 0.00 57.07 56.36 1him s TYR 185 Cb -0.10 -1.95 0.05 0.00 -0.40 0.00 0.00 41.96 39.57 1him s TYR 185 CO 0.10 0.05 0.55 -0.08 -1.57 0.00 0.00 175.55 174.60 1him s THR 186 N -2.33 -0.00 0.03 -0.71 -1.32 -0.76 -0.02 115.64 110.52 1him s THR 186 Ca 0.44 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.82 1him s THR 186 Cb -0.06 -0.77 0.01 0.00 -1.51 0.00 0.00 72.50 70.17 1him s THR 186 CO 0.28 0.00 0.21 -0.22 -2.21 0.00 0.00 174.62 172.68 1him s LEU 187 N 0.40 1.29 0.13 9.08 0.20 -0.55 -0.90 118.68 128.32 1him s LEU 187 Ca -0.01 -0.26 -0.03 0.00 0.69 0.00 0.00 54.13 54.52 1him s LEU 187 Cb -0.04 0.98 -0.03 0.00 -0.43 0.00 0.00 46.19 46.67 1him s LEU 187 CO -0.01 -0.51 0.09 -0.94 -0.29 0.00 0.00 176.35 174.69 1him s SER 188 N -1.85 0.28 0.01 3.68 1.04 -1.26 -0.66 113.70 114.93 1him s SER 188 Ca -0.08 -1.11 -0.07 0.00 0.48 0.00 0.00 55.95 55.17 1him s SER 188 Cb -0.03 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1him s SER 188 CO -0.02 -0.74 0.14 -0.94 0.98 0.00 0.00 173.24 172.66 1him s SER 189 N -3.01 0.03 -0.05 7.02 1.04 -0.32 -1.93 113.70 116.48 1him s SER 189 Ca 0.20 -0.23 0.06 0.00 0.48 0.00 0.00 55.95 56.47 1him s SER 189 Cb 0.07 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1him s SER 189 CO -0.00 -0.39 -0.23 -0.94 0.98 0.00 0.00 173.24 172.66 1him s SER 190 N -1.45 2.88 0.05 7.02 1.04 0.10 -1.04 113.70 122.30 1him s SER 190 Ca -0.14 -0.48 0.09 0.00 0.48 0.00 0.00 55.95 55.91 1him s SER 190 Cb -0.07 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.27 1him s SER 190 CO 0.01 0.23 -0.26 0.54 0.98 0.00 0.00 173.24 174.75 1him s VAL 191 N -0.16 2.08 -0.24 5.02 0.11 -0.32 0.11 120.40 126.99 1him s VAL 191 Ca -0.03 -1.39 -0.01 0.00 -2.93 0.00 0.00 61.98 57.62 1him s VAL 191 Cb -0.13 -1.79 0.02 0.00 -1.53 0.00 0.00 36.38 32.96 1him s VAL 191 CO 0.03 0.32 -0.07 0.42 -3.33 0.00 0.00 175.10 172.47 1him s THR 192 N -0.83 2.84 0.28 5.04 -4.23 -0.39 -0.76 115.64 117.60 1him s THR 192 Ca 0.11 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1him s THR 192 Cb -0.10 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.36 1him s THR 192 CO 0.02 0.23 0.29 0.52 -0.54 0.00 0.00 174.62 175.15 1him n VAL 193 N 4.67 0.00 -4.21 2.29 0.31 0.07 -4.76 118.33 116.70 1him n VAL 193 Ca -0.17 -1.04 -0.23 0.00 -0.01 0.00 0.00 64.34 62.89 1him n VAL 193 Cb 0.47 -0.48 -0.07 0.00 -0.91 0.00 0.00 33.84 32.85 1him n VAL 193 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1him s THR 194 N -1.11 3.15 0.47 2.52 -4.23 -1.26 -1.14 115.64 114.04 1him s THR 194 Ca 0.22 -1.82 0.29 0.00 -1.18 0.00 0.00 61.69 59.20 1him s THR 194 Cb -0.02 -2.91 0.49 0.00 1.34 0.00 0.00 72.50 71.40 1him s THR 194 CO 0.14 -0.26 1.75 0.28 -0.54 0.00 0.00 174.62 175.98 1him h SER 195 N 1.72 0.22 0.67 3.99 0.02 -1.29 0.96 113.55 119.85 1him h SER 195 Ca -0.44 0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 60.32 1him h SER 195 Cb 1.25 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 1him h SER 195 CO 0.63 0.00 -1.12 0.28 -1.14 0.00 0.00 176.83 175.48 1him h SER 196 N 0.17 0.33 0.71 3.07 0.02 -1.90 -3.37 113.55 112.58 1him h SER 196 Ca 0.64 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1him h SER 196 Cb 2.10 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 64.54 1him h SER 196 CO -0.20 1.22 -0.34 0.74 -1.14 0.00 0.00 176.83 177.12 1him h THR 198 N 0.08 0.22 -3.52 -2.27 2.02 -1.18 -3.38 112.91 104.88 1him h THR 198 Ca -0.09 -0.17 -0.67 0.00 0.77 0.00 0.00 66.41 66.25 1him h THR 198 Cb 1.83 0.26 -0.21 0.00 -1.74 0.00 0.00 68.15 68.30 1him h THR 198 CO 0.18 0.02 -0.69 0.86 0.37 0.00 0.00 175.52 176.25 1him s TRP 199 N -5.46 2.95 -1.77 3.16 -0.00 -1.11 0.13 118.94 116.84 1him s TRP 199 Ca -0.17 -0.14 0.26 0.00 -0.00 0.00 0.00 56.10 56.05 1him s TRP 199 Cb 0.02 -1.80 0.72 0.00 -0.00 0.00 0.00 33.47 32.42 1him s TRP 199 CO 0.55 0.17 1.55 -2.30 -0.00 0.00 0.00 176.95 176.91 1him n PRO 200 N 2.75 0.86 0.30 5.86 -0.02 -1.26 -4.74 135.00 138.74 1him n PRO 200 Ca -0.18 -0.52 0.19 0.00 -2.02 0.00 0.00 63.50 60.97 1him n PRO 200 Cb 0.53 -1.49 0.96 0.00 -0.02 0.00 0.00 33.50 33.48 1him n PRO 200 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1him h SER 202 N 1.26 0.00 -3.41 2.55 0.02 -1.62 -3.35 113.55 109.01 1him h SER 202 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 1him h SER 202 Cb 0.52 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 62.71 1him h SER 202 CO 0.00 0.00 -0.79 -1.10 -1.14 0.00 0.00 176.83 173.80 1him s GLN 203 N -4.28 1.18 0.11 3.45 -0.21 0.34 -5.06 119.66 115.19 1him s GLN 203 Ca -0.04 -0.21 -0.30 0.00 0.02 0.00 0.00 55.36 54.83 1him s GLN 203 Cb 0.12 -1.11 -0.06 0.00 1.00 0.00 0.00 33.01 32.96 1him s GLN 203 CO 0.40 -0.08 0.98 -1.54 -2.12 0.00 0.00 175.29 172.94 1him s SER 204 N 0.97 7.46 -0.11 5.90 1.04 -1.26 -4.11 113.70 123.59 1him s SER 204 Ca -0.10 1.82 -0.01 0.00 0.48 0.00 0.00 55.95 58.14 1him s SER 204 Cb -0.15 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 1him s SER 204 CO 0.00 -0.10 -0.06 -0.63 0.98 0.00 0.00 173.24 173.42 1him s ILE 205 N 0.06 3.70 -0.04 -1.02 -1.09 -1.26 -4.99 121.20 116.56 1him s ILE 205 Ca 0.48 -0.45 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1him s ILE 205 Cb -0.24 -2.56 0.01 0.00 -1.58 0.00 0.00 42.46 38.09 1him s ILE 205 CO 0.30 0.55 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.59 1him s THR 206 N -0.18 0.77 0.05 2.92 2.01 -1.26 -2.40 115.64 117.54 1him s THR 206 Ca 0.02 -0.29 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 1him s THR 206 Cb -0.13 -0.72 -0.06 0.00 0.01 0.00 0.00 72.50 71.60 1him s THR 206 CO 0.03 0.26 0.54 0.00 -0.69 0.00 0.00 174.62 174.76 1him s ASN 209 N -1.02 3.00 -0.20 0.00 0.02 0.17 0.24 114.94 117.15 1him s ASN 209 Ca 0.28 -0.59 -0.01 0.00 -1.02 0.00 0.00 52.86 51.52 1him s ASN 209 Cb -0.19 -1.39 0.06 0.00 0.02 0.00 0.00 41.25 39.75 1him s ASN 209 CO 0.18 0.03 -0.02 -0.69 0.02 0.00 0.00 177.10 176.62 1him s VAL 210 N 1.07 1.08 -0.06 1.60 1.01 0.65 -1.27 120.40 124.48 1him s VAL 210 Ca -0.01 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1him s VAL 210 Cb -0.14 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1him s VAL 210 CO -0.07 -0.08 -0.14 0.00 0.00 0.00 0.00 175.10 174.81 1him s ALA 211 N 1.61 2.66 -0.47 5.51 0.00 -1.09 0.10 121.76 130.09 1him s ALA 211 Ca -0.03 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1him s ALA 211 Cb -0.17 -0.99 0.12 0.00 0.00 0.00 0.00 23.12 22.08 1him s ALA 211 CO -0.07 0.53 0.20 -1.58 0.00 0.00 0.00 175.76 174.84 1him s HIS 212 N -0.63 3.29 0.23 0.00 2.46 -0.07 -1.56 115.29 119.01 1him s HIS 212 Ca 0.09 -3.10 -0.14 0.00 0.47 0.00 0.00 55.06 52.38 1him s HIS 212 Cb -0.11 -2.82 0.29 0.00 -0.13 0.00 0.00 32.58 29.81 1him s HIS 212 CO 0.01 -0.80 1.58 -1.00 -2.47 0.00 0.00 174.74 172.06 1him h PRO 213 N 6.80 -0.03 -1.01 2.88 0.13 -1.77 0.05 132.00 139.05 1him h PRO 213 Ca -0.07 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.30 1him h PRO 213 Cb 0.93 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.95 1him h PRO 213 CO 0.64 -0.02 0.62 0.00 -0.23 0.00 0.00 178.00 179.00 1him h ALA 214 N 1.56 1.87 -0.43 -0.56 0.00 -1.93 0.21 119.26 119.97 1him h ALA 214 Ca 0.36 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1him h ALA 214 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1him h ALA 214 CO -0.86 -0.30 0.00 -1.13 0.00 0.00 0.00 179.25 176.96 1him n SER 215 N -4.80 4.27 -4.19 0.00 3.41 -0.96 -4.94 113.62 106.41 1him n SER 215 Ca 0.26 -2.67 -0.31 0.00 -0.26 0.00 0.00 58.87 55.88 1him n SER 215 Cb 0.73 -0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 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 0.30 -0.76 -4.83 4.04 7.64 0.72 -4.93 113.62 115.79 1him n SER 216 Ca 0.22 -1.11 -0.33 0.00 1.01 0.00 0.00 58.87 58.65 1him n SER 216 Cb 0.86 -2.40 -0.06 0.00 -1.01 0.00 0.00 64.21 61.60 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 -3.86 5.04 -0.26 0.44 2.01 -0.08 -4.98 115.64 113.95 1him s THR 217 Ca 0.26 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 1him s THR 217 Cb -0.14 -3.31 0.15 0.00 0.01 0.00 0.00 72.50 69.20 1him s THR 217 CO 0.95 0.37 0.40 -0.75 -0.69 0.00 0.00 174.62 174.89 1him s LYS 218 N -1.74 0.38 0.07 4.92 2.20 -1.25 -0.89 119.74 123.43 1him s LYS 218 Ca 0.24 0.44 0.06 0.00 -0.36 0.00 0.00 55.97 56.34 1him s LYS 218 Cb -0.12 -0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 35.80 1him s LYS 218 CO 0.15 -0.76 -0.10 0.08 -0.36 0.00 0.00 175.35 174.36 1him s VAL 219 N 2.57 3.40 -0.30 4.02 1.01 0.11 -4.94 120.40 126.28 1him s VAL 219 Ca 0.12 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1him s VAL 219 Cb -0.14 -2.54 0.09 0.00 0.00 0.00 0.00 36.38 33.78 1him s VAL 219 CO -0.21 0.21 0.03 -1.81 0.00 0.00 0.00 175.10 173.32 1him s ASP 220 N -1.91 4.28 -0.55 3.32 1.01 -1.26 -0.25 116.67 121.32 1him s ASP 220 Ca 0.20 -1.69 -0.17 0.00 0.71 0.00 0.00 52.55 51.60 1him s ASP 220 Cb -0.11 -1.28 0.12 0.00 1.01 0.00 0.00 42.92 42.66 1him s ASP 220 CO 0.11 -0.34 0.54 -0.54 0.21 0.00 0.00 175.17 175.15 1him s LYS 221 N 1.25 3.00 -0.44 8.23 -0.14 0.14 -4.88 119.74 126.90 1him s LYS 221 Ca 0.05 -1.59 -0.27 0.00 -1.36 0.00 0.00 55.97 52.79 1him s LYS 221 Cb -0.19 -4.28 -0.03 0.00 -1.68 0.00 0.00 37.83 31.65 1him s LYS 221 CO -0.12 -1.35 2.00 0.21 -0.76 0.00 0.00 175.35 175.32 1him s LYS 222 N 1.84 2.83 -0.68 1.68 2.20 -1.26 -0.97 119.74 125.38 1him s LYS 222 Ca 0.05 1.24 -0.26 0.00 -0.36 0.00 0.00 55.97 56.65 1him s LYS 222 Cb -0.28 -4.36 0.04 0.00 -1.51 0.00 0.00 37.83 31.72 1him s LYS 222 CO 0.04 -2.46 1.15 -1.50 -0.36 0.00 0.00 175.35 172.22 1him s ILE 223 N 8.87 3.98 0.51 5.43 -1.16 -1.01 -4.98 121.20 132.84 1him s ILE 223 Ca 0.82 0.28 -0.15 0.00 -0.51 0.00 0.00 60.65 61.09 1him s ILE 223 Cb -0.20 -4.80 -0.07 0.00 0.61 0.00 0.00 42.46 38.01 1him s ILE 223 CO 0.28 -1.61 0.96 -1.61 -2.81 0.00 0.00 174.94 170.15 1him s GLU 226 N 5.03 3.88 0.41 3.50 2.02 -1.26 -4.72 118.70 127.55 1him s GLU 226 Ca 0.32 0.86 -0.23 0.00 0.02 0.00 0.00 54.97 55.94 1him s GLU 226 Cb -0.11 -2.16 -0.09 0.00 0.10 0.00 0.00 34.13 31.87 1him s GLU 226 CO 0.16 -0.28 1.02 -1.25 0.02 0.00 0.00 175.26 174.93 1him s PRO 227 N -4.19 4.18 0.00 0.39 0.04 -1.26 -4.65 135.00 129.51 1him s PRO 227 Ca 0.57 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1him s PRO 227 Cb -0.10 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1him s PRO 227 CO 0.34 -0.11 0.00 -2.13 0.04 0.00 0.00 177.00 175.14