#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h2s s ARG 3 N 0.00 0.75 -0.20 1.45 3.52 0.39 -4.95 118.95 119.90 2h2s s ARG 3 Ca 0.00 0.39 -0.02 0.00 -0.13 0.00 0.00 55.73 55.97 2h2s s ARG 3 Cb 0.00 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 2h2s s ARG 3 CO 0.00 -0.17 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.71 2h2s s LEU 4 N -0.49 2.58 -0.33 -0.88 1.43 -1.26 -1.45 118.68 118.28 2h2s s LEU 4 Ca -0.06 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 2h2s s LEU 4 Cb -0.03 -1.63 0.10 0.00 0.03 0.00 0.00 46.19 44.66 2h2s s LEU 4 CO 0.04 -0.01 0.07 -0.22 0.23 0.00 0.00 176.35 176.46 2h2s s LEU 5 N 1.38 3.97 0.35 1.79 0.20 -0.54 -3.51 118.68 122.32 2h2s s LEU 5 Ca 0.05 -2.00 -0.06 0.00 0.69 0.00 0.00 54.13 52.81 2h2s s LEU 5 Cb -0.14 -1.39 -0.05 0.00 -0.43 0.00 0.00 46.19 44.18 2h2s s LEU 5 CO -0.07 -0.39 0.64 -1.83 -0.29 0.00 0.00 176.35 174.41 2h2s s GLU 6 N 1.12 3.65 0.00 1.98 1.03 -1.26 -1.26 118.70 123.96 2h2s s GLU 6 Ca 0.11 0.13 0.00 0.00 0.03 0.00 0.00 54.97 55.24 2h2s s GLU 6 Cb -0.18 -2.54 0.00 0.00 -0.80 0.00 0.00 34.13 30.61 2h2s s GLU 6 CO -0.13 0.08 0.00 -1.13 -1.33 0.00 0.00 175.26 172.75 2h2s n SER 7 N -1.28 0.00 0.00 0.83 3.41 -1.13 -4.80 113.62 110.65 2h2s n SER 7 Ca -0.00 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 2h2s n SER 7 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2h2s n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h2s n GLY 8 N 0.00 1.61 0.77 5.00 0.00 -1.26 -2.51 105.19 108.80 2h2s n GLY 8 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 2h2s n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h2s n GLY 9 N 0.00 -0.13 0.00 -0.02 0.00 -1.25 -4.86 105.19 98.93 2h2s n GLY 9 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2h2s n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h2s n GLY 10 N 0.35 2.05 3.33 -0.02 0.00 -1.14 -4.48 105.19 105.27 2h2s n GLY 10 Ca 0.04 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 2h2s n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2h2s s LEU 11 N 0.00 3.38 -0.04 0.99 2.96 -1.26 0.14 118.68 124.85 2h2s s LEU 11 Ca 0.00 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2h2s s LEU 11 Cb 0.00 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.88 2h2s s LEU 11 CO 0.00 -0.10 -0.14 0.68 -1.32 0.00 0.00 176.35 175.48 2h2s s VAL 12 N 1.49 1.16 0.15 1.68 -7.23 0.20 -4.97 120.40 112.87 2h2s s VAL 12 Ca 0.04 -0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.35 2h2s s VAL 12 Cb -0.16 -1.01 -0.07 0.00 0.56 0.00 0.00 36.38 35.70 2h2s s VAL 12 CO -0.00 0.34 1.02 0.00 -0.31 0.00 0.00 175.10 176.15 2h2s s GLN 13 N 0.17 4.66 -0.09 4.82 -2.07 -1.26 0.73 119.66 126.63 2h2s s GLN 13 Ca -0.05 1.57 -0.22 0.00 -1.82 0.00 0.00 55.36 54.84 2h2s s GLN 13 Cb -0.11 -3.33 -0.11 0.00 -1.09 0.00 0.00 33.01 28.38 2h2s s GLN 13 CO 0.02 0.17 0.66 -2.30 -1.32 0.00 0.00 175.29 172.52 2h2s n PRO 14 N 2.52 0.00 0.00 9.60 -0.02 -1.26 -0.82 135.00 145.02 2h2s n PRO 14 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2h2s n PRO 14 Cb 0.48 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 33.16 2h2s n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h2s n GLY 15 N 1.23 2.74 3.60 -1.23 0.00 0.47 -4.87 105.19 107.12 2h2s n GLY 15 Ca 0.13 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2h2s n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h2s s GLY 16 N -1.69 1.60 0.05 -0.02 0.00 0.00 -1.40 107.32 105.86 2h2s s GLY 16 Ca 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.65 2h2s s GLY 16 CO 0.00 -0.16 -0.10 -1.35 0.00 0.00 0.00 173.10 171.49 2h2s s SER 17 N -4.06 1.11 0.04 1.64 1.04 -1.26 -0.71 113.70 111.50 2h2s s SER 17 Ca 0.72 -0.54 0.03 0.00 0.48 0.00 0.00 55.95 56.65 2h2s s SER 17 Cb -0.07 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 2h2s s SER 17 CO 0.55 -0.14 -0.10 -1.48 0.98 0.00 0.00 173.24 173.06 2h2s s LEU 18 N -1.51 2.22 -0.02 2.42 2.34 -0.18 -4.97 118.68 118.97 2h2s s LEU 18 Ca -0.06 -0.50 -0.02 0.00 0.06 0.00 0.00 54.13 53.60 2h2s s LEU 18 Cb -0.09 -0.32 -0.04 0.00 -0.56 0.00 0.00 46.19 45.17 2h2s s LEU 18 CO 0.01 -0.11 0.15 -0.75 -1.06 0.00 0.00 176.35 174.59 2h2s s LYS 19 N -1.38 3.33 -0.02 1.48 2.20 -1.26 -1.70 119.74 122.39 2h2s s LYS 19 Ca -0.05 -0.35 0.06 0.00 -0.36 0.00 0.00 55.97 55.27 2h2s s LYS 19 Cb -0.09 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 2h2s s LYS 19 CO 0.01 0.68 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.96 2h2s s LEU 20 N -1.80 2.04 0.00 5.43 1.43 0.17 -3.84 118.68 122.11 2h2s s LEU 20 Ca 0.25 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 2h2s s LEU 20 Cb -0.12 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.09 2h2s s LEU 20 CO 0.16 0.25 0.28 -1.20 0.23 0.00 0.00 176.35 176.06 2h2s n SER 21 N 2.58 2.78 -2.73 2.29 7.64 -1.04 -1.21 113.62 123.94 2h2s n SER 21 Ca -0.15 -2.81 -0.05 0.00 1.01 0.00 0.00 58.87 56.87 2h2s n SER 21 Cb 0.53 0.06 0.04 0.00 -1.01 0.00 0.00 64.21 63.83 2h2s n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h2s n ALA 23 N 2.23 1.30 -2.88 0.00 0.00 -0.39 -2.94 120.51 117.82 2h2s n ALA 23 Ca 0.11 0.32 -0.36 0.00 0.00 0.00 0.00 53.44 53.52 2h2s n ALA 23 Cb 0.62 -2.50 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 2h2s n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2s s ALA 24 N 3.13 3.88 -0.21 0.00 0.00 0.10 -1.47 121.76 127.20 2h2s s ALA 24 Ca 0.87 -0.69 -0.24 0.00 0.00 0.00 0.00 51.96 51.90 2h2s s ALA 24 Cb -0.62 -1.91 0.06 0.00 0.00 0.00 0.00 23.12 20.64 2h2s s ALA 24 CO 0.45 0.67 0.65 -1.54 0.00 0.00 0.00 175.76 175.98 2h2s s SER 25 N -1.36 -0.67 0.00 0.00 1.04 -0.53 -4.84 113.70 107.34 2h2s s SER 25 Ca 0.19 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.82 2h2s s SER 25 Cb -0.12 1.19 0.00 0.00 0.10 0.00 0.00 66.02 67.18 2h2s s SER 25 CO 0.09 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2h2s n GLY 26 N 2.40 0.91 3.78 7.32 0.00 -1.26 0.15 105.19 118.48 2h2s n GLY 26 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 2h2s n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2h2s s PHE 27 N -2.00 -0.09 -0.76 1.61 -0.71 -1.26 -3.91 117.98 110.86 2h2s s PHE 27 Ca 0.00 -0.25 -0.26 0.00 -1.04 0.00 0.00 56.93 55.38 2h2s s PHE 27 Cb 0.00 0.66 0.02 0.00 -1.21 0.00 0.00 43.02 42.48 2h2s s PHE 27 CO 0.00 -0.88 1.48 0.34 -1.34 0.00 0.00 175.22 174.82 2h2s s ASP 28 N -3.02 5.94 0.31 1.98 -1.08 -1.26 -4.80 116.67 114.73 2h2s s ASP 28 Ca 0.14 -0.42 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 2h2s s ASP 28 Cb -0.02 -2.55 0.52 0.00 -1.46 0.00 0.00 42.92 39.41 2h2s s ASP 28 CO 0.03 -1.97 1.95 0.22 0.52 0.00 0.00 175.17 175.91 2h2s h TYR 29 N 11.24 1.00 -3.76 -5.34 3.20 -1.94 -3.36 116.97 118.01 2h2s h TYR 29 Ca -0.19 0.02 -0.44 0.00 3.14 0.00 0.00 58.73 61.27 2h2s h TYR 29 Cb 1.07 -0.33 0.17 0.00 1.54 0.00 0.00 36.73 39.17 2h2s h TYR 29 CO 1.14 0.58 0.18 -1.54 -1.64 0.00 0.00 178.16 176.87 2h2s s SER 30 N -6.18 2.05 0.00 -2.11 1.04 -1.26 -2.89 113.70 104.35 2h2s s SER 30 Ca -0.11 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.28 2h2s s SER 30 Cb 0.19 -1.49 0.00 0.00 0.10 0.00 0.00 66.02 64.82 2h2s s SER 30 CO 0.79 -3.46 0.00 -1.14 0.98 0.00 0.00 173.24 170.41 2h2s n ARG 31 N -4.37 0.00 -4.37 4.02 0.00 -1.26 -4.94 116.66 105.75 2h2s n ARG 31 Ca 0.08 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.58 2h2s n ARG 31 Cb 0.58 -1.67 -0.09 0.00 0.00 0.00 0.00 32.46 31.28 2h2s n ARG 31 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2h2s s TYR 32 N -0.54 3.16 -0.12 -0.14 1.51 -1.14 -4.86 117.35 115.22 2h2s s TYR 32 Ca 0.00 0.20 -0.26 0.00 -1.01 0.00 0.00 57.07 56.00 2h2s s TYR 32 Cb 0.00 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 2h2s s TYR 32 CO 0.00 0.47 0.84 -1.58 -1.11 0.00 0.00 175.55 174.17 2h2s s TRP 33 N -0.89 3.49 0.34 2.71 0.52 -1.26 -4.06 118.94 119.78 2h2s s TRP 33 Ca 0.13 1.34 0.01 0.00 0.02 0.00 0.00 56.10 57.60 2h2s s TRP 33 Cb -0.11 -3.00 -0.03 0.00 -1.15 0.00 0.00 33.47 29.18 2h2s s TRP 33 CO 0.02 -0.14 0.53 -1.64 0.02 0.00 0.00 176.95 175.74 2h2s s MET 34 N 1.70 3.46 0.30 4.98 -1.94 -0.63 -1.01 119.30 126.15 2h2s s MET 34 Ca 0.41 -0.41 -0.05 0.00 -1.71 0.00 0.00 55.69 53.93 2h2s s MET 34 Cb -0.17 -2.69 -0.00 0.00 2.01 0.00 0.00 34.83 33.97 2h2s s MET 34 CO 0.16 0.17 0.44 0.45 -0.01 0.00 0.00 175.02 176.23 2h2s s SER 35 N -4.04 0.55 0.04 3.03 0.15 -0.41 -1.37 113.70 111.66 2h2s s SER 35 Ca 0.40 -1.32 0.01 0.00 0.70 0.00 0.00 55.95 55.74 2h2s s SER 35 Cb -0.10 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.80 2h2s s SER 35 CO 0.35 -1.21 -0.06 0.26 1.20 0.00 0.00 173.24 173.78 2h2s s TRP 36 N -3.42 0.57 0.03 3.44 0.52 -0.46 -2.28 118.94 117.34 2h2s s TRP 36 Ca 0.29 -0.59 -0.18 0.00 0.02 0.00 0.00 56.10 55.64 2h2s s TRP 36 Cb 0.00 -0.35 0.03 0.00 -1.15 0.00 0.00 33.47 32.00 2h2s s TRP 36 CO 0.16 -0.14 0.40 0.08 0.02 0.00 0.00 176.95 177.48 2h2s s VAL 37 N -1.79 0.06 0.10 4.03 1.01 -0.42 -1.96 120.40 121.42 2h2s s VAL 37 Ca -0.08 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 2h2s s VAL 37 Cb -0.07 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2h2s s VAL 37 CO -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 175.10 174.84 2h2s s ARG 38 N -2.23 0.81 -0.36 2.72 1.70 -0.98 0.89 118.95 121.49 2h2s s ARG 38 Ca -0.07 -1.35 0.00 0.00 -0.47 0.00 0.00 55.73 53.84 2h2s s ARG 38 Cb -0.01 0.13 0.12 0.00 -0.57 0.00 0.00 34.95 34.61 2h2s s ARG 38 CO -0.01 -0.16 0.16 -1.14 -1.08 0.00 0.00 175.30 173.07 2h2s s GLN 39 N -3.96 0.84 -0.17 3.89 0.74 -0.76 -1.16 119.66 119.07 2h2s s GLN 39 Ca 0.16 -1.37 -0.29 0.00 0.05 0.00 0.00 55.36 53.90 2h2s s GLN 39 Cb 0.07 -1.95 -0.04 0.00 1.10 0.00 0.00 33.01 32.19 2h2s s GLN 39 CO -0.04 -1.08 1.79 0.00 -0.55 0.00 0.00 175.29 175.41 2h2s s ALA 40 N 1.17 3.23 -0.04 1.58 0.00 -1.26 -2.73 121.76 123.71 2h2s s ALA 40 Ca 0.13 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 52.69 2h2s s ALA 40 Cb -0.20 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 18.99 2h2s s ALA 40 CO -0.14 -2.03 0.24 -2.30 0.00 0.00 0.00 175.76 171.53 2h2s n PRO 41 N 7.84 0.00 0.00 0.00 -0.02 -1.26 -0.35 135.00 141.20 2h2s n PRO 41 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2h2s n PRO 41 Cb 0.44 -0.28 0.00 0.00 -0.02 0.00 0.00 33.50 33.65 2h2s n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h2s n GLY 42 N 0.48 2.44 1.05 -1.23 0.00 -1.26 -4.96 105.19 101.71 2h2s n GLY 42 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 2h2s n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h2s n LYS 43 N -1.13 0.52 -2.17 1.61 5.02 0.52 -5.13 118.16 117.41 2h2s n LYS 43 Ca 0.00 -0.75 -0.23 0.00 -2.02 0.00 0.00 58.31 55.30 2h2s n LYS 43 Cb 0.00 -0.16 0.14 0.00 -0.02 0.00 0.00 35.03 34.99 2h2s n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2h2s n GLY 44 N 2.97 -0.10 3.73 0.72 0.00 -1.26 -4.67 105.19 106.58 2h2s n GLY 44 Ca 0.04 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2h2s n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h2s s LEU 45 N 0.00 4.50 -0.15 0.99 1.43 -1.26 -4.08 118.68 120.11 2h2s s LEU 45 Ca 0.64 1.75 -0.01 0.00 -1.03 0.00 0.00 54.13 55.48 2h2s s LEU 45 Cb -0.03 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.70 2h2s s LEU 45 CO 0.43 -0.04 -0.02 -0.54 0.23 0.00 0.00 176.35 176.41 2h2s s LYS 46 N -0.08 1.04 0.46 1.70 -0.14 -0.31 -4.96 119.74 117.46 2h2s s LYS 46 Ca 0.45 -0.33 -0.24 0.00 -1.36 0.00 0.00 55.97 54.50 2h2s s LYS 46 Cb -0.23 -1.76 -0.09 0.00 -1.68 0.00 0.00 37.83 34.07 2h2s s LYS 46 CO 0.29 -0.44 1.20 1.87 -0.76 0.00 0.00 175.35 177.51 2h2s n TRP 47 N 4.99 1.85 0.03 3.18 -0.00 -1.26 -2.33 117.44 123.89 2h2s n TRP 47 Ca -0.10 0.49 0.00 0.00 -0.00 0.00 0.00 57.50 57.90 2h2s n TRP 47 Cb 0.48 -2.32 0.00 0.00 -0.00 0.00 0.00 31.31 29.47 2h2s n TRP 47 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 2h2s n ILE 48 N -0.55 0.00 0.00 5.87 5.41 -0.83 -4.69 119.36 124.57 2h2s n ILE 48 Ca 0.08 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.34 2h2s n ILE 48 Cb 0.41 1.01 0.00 0.00 -0.71 0.00 0.00 39.64 40.35 2h2s n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2h2s n GLY 49 N 0.48 4.04 1.51 7.39 0.00 -1.25 -3.65 105.19 113.70 2h2s n GLY 49 Ca 0.00 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 2h2s n GLY 49 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2h2s n GLU 50 N -1.67 1.21 -3.52 1.61 0.28 -0.87 -1.35 120.64 116.33 2h2s n GLU 50 Ca 0.00 -1.55 -0.00 0.00 -0.16 0.00 0.00 57.16 55.45 2h2s n GLU 50 Cb 0.00 0.57 -0.05 0.00 1.43 0.00 0.00 31.44 33.39 2h2s n GLU 50 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 2h2s s ILE 51 N -1.94 -0.46 0.99 3.84 2.07 -0.47 -3.67 121.20 121.55 2h2s s ILE 51 Ca 0.03 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.15 2h2s s ILE 51 Cb 0.00 -1.00 0.18 0.00 0.13 0.00 0.00 42.46 41.78 2h2s s ILE 51 CO 0.02 0.00 1.10 0.54 -1.91 0.00 0.00 174.94 174.69 2h2s s ASN 52 N 2.25 2.69 0.21 4.50 2.20 -1.10 -1.61 114.94 124.08 2h2s s ASN 52 Ca -0.05 1.16 -0.11 0.00 -0.94 0.00 0.00 52.86 52.92 2h2s s ASN 52 Cb -0.07 -1.81 0.28 0.00 -2.00 0.00 0.00 41.25 37.66 2h2s s ASN 52 CO -0.17 -3.09 1.67 -0.65 -2.94 0.00 0.00 177.10 171.92 2h2s h PRO 53 N -1.86 0.13 0.00 3.55 0.11 -1.90 -2.63 132.00 129.40 2h2s h PRO 53 Ca -0.54 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2h2s h PRO 53 Cb 1.33 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2h2s h PRO 53 CO 0.58 0.08 -0.38 1.33 -0.21 0.00 0.00 178.00 179.40 2h2s n VAL 54 N -5.26 0.05 -0.72 3.15 0.24 -1.26 -4.80 118.33 109.73 2h2s n VAL 54 Ca 0.09 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2h2s n VAL 54 Cb 0.34 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2h2s n VAL 54 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2h2s n SER 55 N -1.57 -2.15 -0.12 -1.34 7.64 -0.99 -4.91 113.62 110.17 2h2s n SER 55 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2h2s n SER 55 Cb 0.35 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2h2s n SER 55 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2h2s n SER 56 N 0.18 0.25 -3.63 6.43 3.41 -1.26 -4.67 113.62 114.33 2h2s n SER 56 Ca 0.00 -2.00 -0.12 0.00 -0.26 0.00 0.00 58.87 56.49 2h2s n SER 56 Cb 0.00 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 2h2s n SER 56 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2h2s s THR 57 N -1.76 -0.00 -0.46 6.66 2.01 -1.26 -5.03 115.64 115.80 2h2s s THR 57 Ca 0.00 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.06 2h2s s THR 57 Cb 0.00 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.71 2h2s s THR 57 CO 0.00 0.00 0.58 -0.38 -0.69 0.00 0.00 174.62 174.13 2h2s n ILE 58 N 3.23 -0.55 -1.73 1.82 5.41 -1.26 -2.70 119.36 123.59 2h2s n ILE 58 Ca -0.16 -2.39 -0.31 0.00 1.00 0.00 0.00 62.75 60.89 2h2s n ILE 58 Cb 0.56 -0.32 0.03 0.00 -0.71 0.00 0.00 39.64 39.20 2h2s n ILE 58 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2h2s s ASN 59 N -0.10 5.80 0.30 4.38 0.01 -1.24 -4.91 114.94 119.17 2h2s s ASN 59 Ca 0.32 1.53 0.03 0.00 -0.71 0.00 0.00 52.86 54.03 2h2s s ASN 59 Cb 0.07 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 2h2s s ASN 59 CO -0.14 -1.16 0.14 -0.31 -1.51 0.00 0.00 177.10 174.12 2h2s s TYR 60 N -3.09 1.59 0.26 2.20 1.51 -1.26 -2.04 117.35 116.52 2h2s s TYR 60 Ca 0.57 -1.31 -0.14 0.00 -1.01 0.00 0.00 57.07 55.17 2h2s s TYR 60 Cb -0.13 -0.88 -0.08 0.00 -0.11 0.00 0.00 41.96 40.76 2h2s s TYR 60 CO 0.54 -0.46 0.66 -0.08 -1.11 0.00 0.00 175.55 175.11 2h2s s THR 61 N -3.63 4.75 -0.20 -0.71 -1.32 -1.24 -4.83 115.64 108.45 2h2s s THR 61 Ca 0.36 0.86 -0.03 0.00 -1.21 0.00 0.00 61.69 61.67 2h2s s THR 61 Cb 0.06 -3.66 -0.06 0.00 -1.51 0.00 0.00 72.50 67.32 2h2s s THR 61 CO 0.16 -0.04 1.23 -0.81 -2.21 0.00 0.00 174.62 172.95 2h2s n PRO 62 N -0.00 0.01 0.00 7.08 -0.04 -1.26 -4.68 135.00 136.11 2h2s n PRO 62 Ca 0.01 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2h2s n PRO 62 Cb 0.52 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2h2s n PRO 62 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2h2s n SER 63 N 5.60 0.00 0.00 3.54 3.41 -1.26 -5.16 113.62 119.75 2h2s n SER 63 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2h2s n SER 63 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2h2s n SER 63 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2h2s n LEU 64 N 0.00 0.00 0.00 1.04 4.77 -1.26 -5.05 117.00 116.50 2h2s n LEU 64 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2h2s n LEU 64 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2h2s n LEU 64 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.23 2h2s n LYS 65 N 0.00 0.00 -2.29 3.23 4.81 -1.26 -4.40 118.16 118.25 2h2s n LYS 65 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 2h2s n LYS 65 Cb 0.00 -0.34 0.01 0.00 0.02 0.00 0.00 35.03 34.72 2h2s n LYS 65 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2h2s n ASP 66 N 0.00 5.50 0.35 3.14 8.00 -1.26 -4.76 116.55 127.52 2h2s n ASP 66 Ca 0.00 -3.75 -0.15 0.00 0.71 0.00 0.00 54.79 51.59 2h2s n ASP 66 Cb 0.00 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 40.40 2h2s n ASP 66 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2h2s h LYS 67 N 2.66 -0.92 -6.16 -1.24 1.63 -1.87 -3.42 116.57 107.26 2h2s h LYS 67 Ca 0.38 0.06 -0.49 0.00 -0.85 0.00 0.00 60.65 59.75 2h2s h LYS 67 Cb 0.72 0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.53 2h2s h LYS 67 CO 1.01 -0.61 -0.46 -0.06 -3.45 0.00 0.00 179.45 175.88 2h2s s PHE 68 N -5.21 3.41 -0.46 1.91 0.40 -1.26 -2.17 117.98 114.59 2h2s s PHE 68 Ca -0.15 0.00 0.06 0.00 -0.60 0.00 0.00 56.93 56.24 2h2s s PHE 68 Cb 0.02 -1.57 0.18 0.00 0.51 0.00 0.00 43.02 42.16 2h2s s PHE 68 CO 0.45 0.47 0.55 0.42 0.70 0.00 0.00 175.22 177.81 2h2s s ILE 69 N -1.93 -0.46 0.49 0.64 1.01 -0.59 -4.94 121.20 115.42 2h2s s ILE 69 Ca 0.34 -1.52 -0.21 0.00 0.00 0.00 0.00 60.65 59.26 2h2s s ILE 69 Cb -0.09 -0.51 -0.08 0.00 0.01 0.00 0.00 42.46 41.79 2h2s s ILE 69 CO 0.28 -0.50 1.08 -0.63 0.00 0.00 0.00 174.94 175.18 2h2s s ILE 70 N 0.70 3.51 -0.17 2.92 1.01 -1.26 -2.68 121.20 125.23 2h2s s ILE 70 Ca 0.29 0.99 -0.30 0.00 0.00 0.00 0.00 60.65 61.63 2h2s s ILE 70 Cb -0.01 -3.42 0.13 0.00 0.01 0.00 0.00 42.46 39.17 2h2s s ILE 70 CO -0.10 -0.16 1.00 -0.94 0.00 0.00 0.00 174.94 174.74 2h2s s SER 71 N -1.80 -0.37 0.50 3.58 1.04 -1.22 -4.97 113.70 110.45 2h2s s SER 71 Ca 0.67 0.42 0.02 0.00 0.48 0.00 0.00 55.95 57.54 2h2s s SER 71 Cb -0.21 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 2h2s s SER 71 CO 0.25 -0.33 0.02 0.00 0.98 0.00 0.00 173.24 174.15 2h2s s ARG 72 N -1.05 2.16 -0.46 4.02 1.70 -1.26 -0.01 118.95 124.05 2h2s s ARG 72 Ca -0.02 -2.37 0.07 0.00 -0.47 0.00 0.00 55.73 52.94 2h2s s ARG 72 Cb -0.01 -1.39 0.24 0.00 -0.57 0.00 0.00 34.95 33.23 2h2s s ARG 72 CO 0.01 -0.38 0.78 -3.47 -1.08 0.00 0.00 175.30 171.17 2h2s n ASP 73 N -1.28 -2.08 -0.53 -2.89 -0.08 -0.94 -4.96 116.55 103.80 2h2s n ASP 73 Ca -0.17 -3.13 0.44 0.00 -1.51 0.00 0.00 54.79 50.42 2h2s n ASP 73 Cb 0.67 1.16 0.68 0.00 2.34 0.00 0.00 41.12 45.96 2h2s n ASP 73 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 2h2s h ASN 74 N 4.03 0.00 -0.55 1.67 2.35 -1.92 0.46 115.58 121.62 2h2s h ASN 74 Ca -0.08 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 2h2s h ASN 74 Cb 0.99 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 2h2s h ASN 74 CO 0.36 0.00 0.24 0.00 -1.65 0.00 0.00 177.43 176.38 2h2s h ALA 75 N 0.82 1.32 -0.01 -0.83 0.00 -1.95 -2.59 119.26 116.01 2h2s h ALA 75 Ca 0.77 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2h2s h ALA 75 Cb 3.48 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 21.03 2h2s h ALA 75 CO -0.01 0.51 -0.55 1.63 0.00 0.00 0.00 179.25 180.84 2h2s n LYS 76 N -4.33 0.87 -3.44 0.00 5.02 0.16 -4.97 118.16 111.47 2h2s n LYS 76 Ca 0.05 -0.69 -0.18 0.00 -2.02 0.00 0.00 58.31 55.47 2h2s n LYS 76 Cb 0.16 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.77 2h2s n LYS 76 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2h2s n ASP 77 N -0.46 -3.16 -3.97 4.39 9.92 -0.92 -4.75 116.55 117.59 2h2s n ASP 77 Ca 0.09 -0.59 -0.19 0.00 -0.53 0.00 0.00 54.79 53.57 2h2s n ASP 77 Cb 0.42 -5.00 -0.15 0.00 -0.64 0.00 0.00 41.12 35.74 2h2s n ASP 77 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2h2s s THR 78 N -3.34 0.60 0.14 -3.53 2.01 -1.24 0.02 115.64 110.30 2h2s s THR 78 Ca 0.15 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.90 2h2s s THR 78 Cb -0.07 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 2h2s s THR 78 CO 0.71 0.19 0.28 -0.22 -0.69 0.00 0.00 174.62 174.89 2h2s s LEU 79 N 0.17 4.33 0.29 4.42 2.96 -1.15 -2.21 118.68 127.48 2h2s s LEU 79 Ca -0.02 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2h2s s LEU 79 Cb -0.07 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.66 2h2s s LEU 79 CO 0.00 0.06 0.09 -0.31 -1.32 0.00 0.00 176.35 174.87 2h2s s TYR 80 N -1.73 1.68 -0.28 5.38 1.51 0.99 -1.31 117.35 123.59 2h2s s TYR 80 Ca 0.34 -1.13 -0.13 0.00 -1.01 0.00 0.00 57.07 55.15 2h2s s TYR 80 Cb -0.11 -1.02 0.10 0.00 -0.11 0.00 0.00 41.96 40.81 2h2s s TYR 80 CO 0.28 -0.24 0.65 -1.17 -1.11 0.00 0.00 175.55 173.96 2h2s s LEU 81 N -3.38 -0.95 -0.27 -1.29 2.96 -0.35 -3.40 118.68 112.01 2h2s s LEU 81 Ca 0.37 1.48 0.02 0.00 -0.22 0.00 0.00 54.13 55.77 2h2s s LEU 81 Cb 0.08 2.25 0.05 0.00 0.50 0.00 0.00 46.19 49.07 2h2s s LEU 81 CO 0.14 -0.23 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.76 2h2s s GLN 82 N 2.11 2.33 -0.13 1.98 -0.21 -1.09 0.43 119.66 125.08 2h2s s GLN 82 Ca -0.08 -1.30 -0.04 0.00 0.02 0.00 0.00 55.36 53.95 2h2s s GLN 82 Cb -0.08 -2.96 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 2h2s s GLN 82 CO -0.19 -0.57 0.03 0.42 -2.12 0.00 0.00 175.29 172.87 2h2s s ILE 83 N 1.15 4.55 0.07 1.08 1.01 -0.69 -1.55 121.20 126.83 2h2s s ILE 83 Ca -0.07 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.47 2h2s s ILE 83 Cb -0.20 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 2h2s s ILE 83 CO -0.04 0.55 -0.10 -0.94 0.00 0.00 0.00 174.94 174.41 2h2s s SER 84 N -0.35 1.25 -0.98 3.58 1.04 -0.92 -1.02 113.70 116.31 2h2s s SER 84 Ca 0.08 -0.70 -0.05 0.00 0.48 0.00 0.00 55.95 55.76 2h2s s SER 84 Cb -0.12 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.02 2h2s s SER 84 CO 0.02 -0.23 0.84 0.29 0.98 0.00 0.00 173.24 175.15 2h2s n LYS 85 N 0.96 -5.66 -1.64 4.02 5.02 -0.49 -4.79 118.16 115.58 2h2s n LYS 85 Ca -0.19 0.62 -0.39 0.00 -2.02 0.00 0.00 58.31 56.33 2h2s n LYS 85 Cb 0.56 -5.01 0.04 0.00 -0.02 0.00 0.00 35.03 30.60 2h2s n LYS 85 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2h2s n VAL 86 N -4.08 3.22 -3.89 -0.18 0.24 0.12 -4.34 118.33 109.41 2h2s n VAL 86 Ca -0.05 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.66 2h2s n VAL 86 Cb 0.57 -1.26 -0.07 0.00 -1.47 0.00 0.00 33.84 31.61 2h2s n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2h2s s ARG 87 N -2.50 0.93 0.52 7.34 1.70 -1.26 0.18 118.95 125.86 2h2s s ARG 87 Ca 0.70 -1.02 0.42 0.00 -0.47 0.00 0.00 55.73 55.36 2h2s s ARG 87 Cb -0.46 0.35 1.61 0.00 -0.57 0.00 0.00 34.95 35.88 2h2s s ARG 87 CO 0.51 -0.31 1.65 0.66 -1.08 0.00 0.00 175.30 176.73 2h2s h SER 88 N 2.69 0.06 0.46 -2.89 4.64 -1.96 1.44 113.55 118.00 2h2s h SER 88 Ca -0.33 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 2h2s h SER 88 Cb 1.21 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2h2s h SER 88 CO 0.54 -0.04 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.80 2h2s h GLU 89 N 0.03 0.00 -1.16 4.77 3.07 -1.98 -2.88 114.58 116.43 2h2s h GLU 89 Ca 0.81 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 59.38 2h2s h GLU 89 Cb 3.09 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 30.85 2h2s h GLU 89 CO -0.11 0.33 0.38 -0.25 -1.40 0.00 0.00 179.01 177.96 2h2s n ASP 90 N -3.91 4.45 -4.08 1.42 8.00 0.49 -4.82 116.55 118.11 2h2s n ASP 90 Ca -0.02 -2.92 -0.32 0.00 0.71 0.00 0.00 54.79 52.24 2h2s n ASP 90 Cb 0.40 -0.80 -0.15 0.00 -0.02 0.00 0.00 41.12 40.55 2h2s n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2h2s s THR 91 N -1.96 2.34 0.00 -3.53 2.01 -1.09 -4.71 115.64 108.69 2h2s s THR 91 Ca 0.31 -1.74 0.00 0.00 0.31 0.00 0.00 61.69 60.56 2h2s s THR 91 Cb 0.25 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.32 2h2s s THR 91 CO 0.04 -0.16 0.00 0.00 -0.69 0.00 0.00 174.62 173.80 2h2s n ALA 92 N 4.43 0.00 -2.55 7.40 0.00 -1.03 -4.30 120.51 124.47 2h2s n ALA 92 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 2h2s n ALA 92 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 2h2s n ALA 92 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2h2s s LEU 93 N 0.00 4.37 -0.53 0.00 2.96 -1.10 -0.54 118.68 123.84 2h2s s LEU 93 Ca 0.00 -0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 53.44 2h2s s LEU 93 Cb 0.00 -2.17 0.06 0.00 0.50 0.00 0.00 46.19 44.58 2h2s s LEU 93 CO 0.00 -0.20 0.69 -0.31 -1.32 0.00 0.00 176.35 175.22 2h2s s TYR 94 N 1.78 2.99 0.34 5.38 2.02 0.54 -1.83 117.35 128.56 2h2s s TYR 94 Ca 0.07 -0.50 -0.17 0.00 -0.37 0.00 0.00 57.07 56.10 2h2s s TYR 94 Cb -0.17 -3.70 -0.09 0.00 -0.40 0.00 0.00 41.96 37.60 2h2s s TYR 94 CO 0.11 -1.13 0.80 0.71 -1.57 0.00 0.00 175.55 174.46 2h2s s TYR 95 N 2.89 3.40 -0.11 2.71 2.02 0.26 -2.31 117.35 126.21 2h2s s TYR 95 Ca 0.17 1.36 0.02 0.00 -0.37 0.00 0.00 57.07 58.26 2h2s s TYR 95 Cb -0.19 -2.64 -0.01 0.00 -0.40 0.00 0.00 41.96 38.73 2h2s s TYR 95 CO 0.12 0.08 -0.19 0.00 -1.57 0.00 0.00 175.55 173.99 2h2s s ALA 97 N 0.23 1.35 -0.23 0.00 0.00 -0.96 -1.09 121.76 121.06 2h2s s ALA 97 Ca -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 51.96 50.32 2h2s s ALA 97 Cb -0.16 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 2h2s s ALA 97 CO 0.07 -0.16 -0.04 0.50 0.00 0.00 0.00 175.76 176.13 2h2s s ARG 98 N -3.79 3.26 0.31 0.00 3.52 -0.95 -1.29 118.95 120.01 2h2s s ARG 98 Ca 0.17 -0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 54.90 2h2s s ARG 98 Cb 0.04 -3.02 -0.09 0.00 -1.56 0.00 0.00 34.95 30.31 2h2s s ARG 98 CO 0.00 -0.25 0.75 -0.51 -0.81 0.00 0.00 175.30 174.48 2h2s s LEU 99 N 1.45 4.11 0.00 -0.88 1.43 -0.18 -1.21 118.68 123.40 2h2s s LEU 99 Ca 0.05 1.34 -0.06 0.00 -1.03 0.00 0.00 54.13 54.43 2h2s s LEU 99 Cb -0.15 -4.02 0.02 0.00 0.03 0.00 0.00 46.19 42.07 2h2s s LEU 99 CO -0.03 -0.17 0.30 0.00 0.23 0.00 0.00 176.35 176.68 2h2s n TYR 100 N -0.18 -1.50 -3.77 0.29 9.36 -0.84 -4.46 117.16 116.05 2h2s n TYR 100 Ca 0.03 -0.73 -0.10 0.00 3.32 0.00 0.00 57.90 60.42 2h2s n TYR 100 Cb 0.53 0.35 -0.05 0.00 -0.63 0.00 0.00 39.34 39.54 2h2s n TYR 100 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 2h2s s TYR 101 N -6.26 0.02 0.00 2.98 -0.85 -1.26 -0.87 117.35 111.11 2h2s s TYR 101 Ca 0.06 -0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.24 2h2s s TYR 101 Cb -0.02 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.48 2h2s s TYR 101 CO 0.05 -0.73 0.00 0.41 -1.52 0.00 0.00 175.55 173.76 2h2s n GLY 102 N -0.22 0.05 0.23 5.49 0.00 -1.26 -4.79 105.19 104.69 2h2s n GLY 102 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 2h2s n GLY 102 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2h2s h TYR 103 N 0.00 0.43 0.00 1.61 0.05 -2.03 -3.45 116.97 113.58 2h2s h TYR 103 Ca 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.70 2h2s h TYR 103 Cb 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.63 2h2s h TYR 103 CO 0.00 0.61 0.00 0.41 -1.05 0.00 0.00 178.16 178.13 2h2s n GLY 104 N -0.46 0.00 3.52 3.88 0.00 -1.26 -5.10 105.19 105.76 2h2s n GLY 104 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2h2s n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2h2s s TYR 105 N 0.00 2.84 0.84 1.61 1.51 -1.26 -4.95 117.35 117.94 2h2s s TYR 105 Ca 0.00 -0.01 -0.14 0.00 -1.01 0.00 0.00 57.07 55.91 2h2s s TYR 105 Cb 0.00 -3.99 0.03 0.00 -0.11 0.00 0.00 41.96 37.89 2h2s s TYR 105 CO 0.00 -1.28 0.72 0.91 -1.11 0.00 0.00 175.55 174.79 2h2s n TRP 106 N 7.27 -0.31 -3.95 2.71 7.02 -1.26 -4.26 117.44 124.66 2h2s n TRP 106 Ca 0.01 0.33 -0.09 0.00 -1.02 0.00 0.00 57.50 56.74 2h2s n TRP 106 Cb 0.47 -1.93 -0.05 0.00 -2.42 0.00 0.00 31.31 27.39 2h2s n TRP 106 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 2h2s s TYR 107 N -2.18 0.21 -0.78 -5.99 -0.85 -0.05 -4.97 117.35 102.74 2h2s s TYR 107 Ca 0.65 -0.59 -0.18 0.00 -0.52 0.00 0.00 57.07 56.43 2h2s s TYR 107 Cb -0.28 0.31 0.13 0.00 0.38 0.00 0.00 41.96 42.50 2h2s s TYR 107 CO 0.59 -1.03 0.91 -0.06 -1.52 0.00 0.00 175.55 174.45 2h2s s PHE 108 N -3.98 3.15 0.10 -3.49 0.40 -1.26 -1.99 117.98 110.91 2h2s s PHE 108 Ca 0.19 -1.28 -0.25 0.00 -0.60 0.00 0.00 56.93 54.99 2h2s s PHE 108 Cb -0.02 -4.12 -0.11 0.00 0.51 0.00 0.00 43.02 39.28 2h2s s PHE 108 CO 0.07 -1.36 1.69 0.22 0.70 0.00 0.00 175.22 176.55 2h2s h ASP 109 N 8.83 -0.34 -3.29 1.36 3.58 -1.48 -3.43 116.42 121.65 2h2s h ASP 109 Ca -0.04 0.04 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 2h2s h ASP 109 Cb 1.05 0.13 -0.39 0.00 1.72 0.00 0.00 39.33 41.84 2h2s h ASP 109 CO 1.05 -0.19 -0.74 -0.69 -2.88 0.00 0.00 179.24 175.78 2h2s s VAL 110 N -6.14 -0.08 0.14 2.25 1.01 -1.18 -4.99 120.40 111.42 2h2s s VAL 110 Ca -0.14 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 2h2s s VAL 110 Cb 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.19 2h2s s VAL 110 CO 0.66 0.15 0.36 0.26 0.00 0.00 0.00 175.10 176.52 2h2s s TRP 111 N 2.15 3.48 0.16 5.22 0.52 -1.26 -2.23 118.94 126.98 2h2s s TRP 111 Ca 0.05 0.48 -0.02 0.00 0.02 0.00 0.00 56.10 56.63 2h2s s TRP 111 Cb -0.12 -1.95 0.03 0.00 -1.15 0.00 0.00 33.47 30.28 2h2s s TRP 111 CO -0.04 0.44 0.21 0.41 0.02 0.00 0.00 176.95 178.00 2h2s n GLY 112 N -0.04 -0.35 0.07 0.98 0.00 -0.25 -4.76 105.19 100.84 2h2s n GLY 112 Ca -0.03 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 2h2s n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h2s h ALA 113 N -1.32 -0.03 0.00 4.61 0.00 -1.90 -3.45 119.26 117.18 2h2s h ALA 113 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2h2s h ALA 113 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2h2s h ALA 113 CO 0.06 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.48 2h2s n GLY 114 N 0.38 2.47 3.11 0.00 0.00 -1.26 -4.93 105.19 104.95 2h2s n GLY 114 Ca -0.09 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 2h2s n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h2s s THR 115 N -1.93 0.00 -0.19 2.61 2.01 -0.98 -4.74 115.64 112.42 2h2s s THR 115 Ca 0.00 -0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.87 2h2s s THR 115 Cb 0.00 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 2h2s s THR 115 CO 0.00 -0.01 0.17 -0.89 -0.69 0.00 0.00 174.62 173.20 2h2s s THR 116 N 0.07 5.39 -0.26 -0.82 2.01 -1.26 0.20 115.64 120.97 2h2s s THR 116 Ca -0.00 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 2h2s s THR 116 Cb -0.02 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 69.00 2h2s s THR 116 CO 0.00 0.43 0.00 -0.69 -0.69 0.00 0.00 174.62 173.68 2h2s s VAL 117 N 0.36 3.44 -0.34 3.82 1.01 0.30 -2.90 120.40 126.09 2h2s s VAL 117 Ca 0.10 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 2h2s s VAL 117 Cb -0.11 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.57 2h2s s VAL 117 CO -0.01 0.20 0.15 -0.89 0.00 0.00 0.00 175.10 174.56 2h2s s THR 118 N 1.43 4.28 -0.47 3.92 2.01 0.38 -2.46 115.64 124.73 2h2s s THR 118 Ca 0.02 -0.79 -0.23 0.00 0.31 0.00 0.00 61.69 61.01 2h2s s THR 118 Cb -0.16 -3.31 0.03 0.00 0.01 0.00 0.00 72.50 69.07 2h2s s THR 118 CO -0.01 -0.09 0.78 -0.69 -0.69 0.00 0.00 174.62 173.92 2h2s s VAL 119 N 1.52 4.65 -0.29 3.82 1.01 -1.25 -0.63 120.40 129.22 2h2s s VAL 119 Ca 0.02 0.26 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 2h2s s VAL 119 Cb -0.18 -4.35 0.19 0.00 0.00 0.00 0.00 36.38 32.04 2h2s s VAL 119 CO 0.05 -0.79 1.39 -0.94 0.00 0.00 0.00 175.10 174.81 2h2s s SER 120 N 2.31 -0.08 0.00 3.32 1.04 0.22 -4.74 113.70 115.77 2h2s s SER 120 Ca 0.27 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2h2s s SER 120 Cb -0.13 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2h2s s SER 120 CO 0.20 -0.04 0.81 -1.20 0.98 0.00 0.00 173.24 174.00 2h2s n SER 121 N 1.36 2.35 -3.01 7.02 7.64 -1.26 -3.98 113.62 123.73 2h2s n SER 121 Ca -0.08 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.00 2h2s n SER 121 Cb 0.57 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2h2s n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h2s n ALA 122 N 0.45 0.00 -2.82 -0.43 0.00 -1.26 -5.09 120.51 111.36 2h2s n ALA 122 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2h2s n ALA 122 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 2h2s n ALA 122 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2h2s s LYS 123 N 0.00 0.44 -0.19 0.00 2.20 -1.26 -5.06 119.74 115.87 2h2s s LYS 123 Ca 0.00 -0.69 -0.28 0.00 -0.36 0.00 0.00 55.97 54.63 2h2s s LYS 123 Cb 0.00 0.16 -0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2h2s s LYS 123 CO 0.00 -0.09 0.99 0.99 -0.36 0.00 0.00 175.35 176.88 2h2s s THR 124 N -2.03 4.75 -0.12 3.43 2.01 -1.26 -4.73 115.64 117.69 2h2s s THR 124 Ca -0.10 1.95 0.01 0.00 0.31 0.00 0.00 61.69 63.86 2h2s s THR 124 Cb -0.05 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.20 2h2s s THR 124 CO -0.03 -0.09 -0.12 -0.89 -0.69 0.00 0.00 174.62 172.80 2h2s s THR 125 N 2.69 1.34 0.75 -0.82 2.01 -0.93 -4.98 115.64 115.71 2h2s s THR 125 Ca 0.44 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.80 2h2s s THR 125 Cb -0.16 -1.27 0.05 0.00 0.01 0.00 0.00 72.50 71.13 2h2s s THR 125 CO 0.10 0.41 1.11 -2.84 -0.69 0.00 0.00 174.62 172.72 2h2s s PRO 126 N 1.28 2.27 0.59 4.92 0.02 -1.26 -1.91 135.00 140.92 2h2s s PRO 126 Ca -0.01 1.32 -0.14 0.00 0.02 0.00 0.00 61.00 62.19 2h2s s PRO 126 Cb -0.14 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 2h2s s PRO 126 CO -0.05 -1.65 1.03 -1.25 -0.33 0.00 0.00 177.00 174.74 2h2s s PRO 127 N -4.57 3.55 -0.16 5.54 0.04 -1.26 -4.30 135.00 133.83 2h2s s PRO 127 Ca 0.64 0.95 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 2h2s s PRO 127 Cb -0.20 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 2h2s s PRO 127 CO 0.51 -0.61 -0.14 0.45 0.04 0.00 0.00 177.00 177.26 2h2s s SER 128 N -3.45 3.78 -0.13 6.66 0.15 -0.18 -4.98 113.70 115.54 2h2s s SER 128 Ca 0.59 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.78 2h2s s SER 128 Cb -0.12 -1.59 -0.02 0.00 -1.71 0.00 0.00 66.02 62.58 2h2s s SER 128 CO 0.43 0.08 -0.12 -0.69 1.20 0.00 0.00 173.24 174.14 2h2s s VAL 129 N 0.87 3.17 -0.09 4.45 1.01 -1.26 -1.15 120.40 127.40 2h2s s VAL 129 Ca -0.04 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2h2s s VAL 129 Cb -0.15 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.90 2h2s s VAL 129 CO -0.01 0.52 -0.18 -0.31 0.00 0.00 0.00 175.10 175.13 2h2s s TYR 130 N 0.36 2.02 0.64 5.22 2.02 -0.73 -5.03 117.35 121.85 2h2s s TYR 130 Ca -0.10 -0.82 -0.17 0.00 -0.37 0.00 0.00 57.07 55.61 2h2s s TYR 130 Cb -0.16 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 39.99 2h2s s TYR 130 CO 0.05 -0.37 1.19 -2.14 -1.57 0.00 0.00 175.55 172.71 2h2s s PRO 131 N 0.58 2.74 -0.53 -1.71 0.02 -1.26 -2.14 135.00 132.68 2h2s s PRO 131 Ca -0.15 1.73 0.06 0.00 0.02 0.00 0.00 61.00 62.66 2h2s s PRO 131 Cb -0.17 -1.91 0.21 0.00 0.02 0.00 0.00 34.50 32.65 2h2s s PRO 131 CO 0.05 -1.37 0.52 1.28 -0.33 0.00 0.00 177.00 177.15 2h2s n LEU 132 N -2.01 1.53 -4.91 -5.54 4.77 -1.25 -4.80 117.00 104.78 2h2s n LEU 132 Ca 0.13 -4.91 -0.27 0.00 -0.03 0.00 0.00 56.01 50.93 2h2s n LEU 132 Cb 0.50 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 2h2s n LEU 132 CO 0.46 1.93 0.61 0.00 -1.33 0.00 0.00 177.39 179.05 2h2s s ALA 133 N -1.21 3.16 0.75 -1.18 0.00 -1.26 -4.02 121.76 117.99 2h2s s ALA 133 Ca 0.33 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.46 2h2s s ALA 133 Cb 0.08 -2.69 0.05 0.00 0.00 0.00 0.00 23.12 20.56 2h2s s ALA 133 CO -0.13 -1.05 1.13 -2.14 0.00 0.00 0.00 175.76 173.58 2h2s s PRO 134 N -5.15 2.23 -1.33 0.00 0.02 -1.26 -4.90 135.00 124.60 2h2s s PRO 134 Ca 0.57 1.43 -0.07 0.00 0.02 0.00 0.00 61.00 62.95 2h2s s PRO 134 Cb -0.11 -1.88 0.12 0.00 0.02 0.00 0.00 34.50 32.66 2h2s s PRO 134 CO 0.46 -1.70 2.24 0.41 -0.33 0.00 0.00 177.00 178.09 2h2s n GLY 135 N -0.41 5.01 3.25 0.52 0.00 -1.26 -4.52 105.19 107.78 2h2s n GLY 135 Ca 0.11 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 2h2s n GLY 135 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2h2s n SER 136 N 2.56 -1.88 -2.60 1.61 7.64 -1.26 -4.85 113.62 114.84 2h2s n SER 136 Ca 0.56 -0.44 -0.11 0.00 1.01 0.00 0.00 58.87 59.88 2h2s n SER 136 Cb 0.29 -0.65 0.03 0.00 -1.01 0.00 0.00 64.21 62.87 2h2s n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h2s n ALA 137 N -1.69 3.67 0.00 -0.43 0.00 -1.26 -4.97 120.51 115.83 2h2s n ALA 137 Ca -0.11 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.01 2h2s n ALA 137 Cb 0.27 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2h2s n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2s n ALA 138 N -0.37 0.00 0.00 0.00 0.00 -1.26 -3.29 120.51 115.58 2h2s n ALA 138 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2h2s n ALA 138 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 2h2s n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2s n ALA 139 N -0.27 1.39 -1.40 0.00 0.00 -1.26 -4.78 120.51 114.19 2h2s n ALA 139 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.89 2h2s n ALA 139 Cb 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 18.42 2h2s n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2s n ALA 140 N -0.40 -3.04 -1.52 0.00 0.00 -1.21 -4.97 120.51 109.37 2h2s n ALA 140 Ca 0.00 0.53 -0.17 0.00 0.00 0.00 0.00 53.44 53.80 2h2s n ALA 140 Cb 0.00 -1.62 0.18 0.00 0.00 0.00 0.00 19.45 18.00 2h2s n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2s n ALA 141 N 1.72 -1.69 -0.23 0.00 0.00 -1.26 -4.90 120.51 114.15 2h2s n ALA 141 Ca 0.20 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2h2s n ALA 141 Cb 0.05 -0.08 0.08 0.00 0.00 0.00 0.00 19.45 19.50 2h2s n ALA 141 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2h2s h SER 142 N -1.70 -0.57 -3.25 0.00 4.64 -1.94 -3.40 113.55 107.33 2h2s h SER 142 Ca -0.34 0.20 -0.57 0.00 -0.47 0.00 0.00 61.79 60.61 2h2s h SER 142 Cb 0.96 0.40 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 2h2s h SER 142 CO 0.23 -0.21 -0.09 -0.04 -0.87 0.00 0.00 176.83 175.85 2h2s s MET 143 N -6.22 4.02 -0.09 4.77 1.00 -1.26 0.16 119.30 121.68 2h2s s MET 143 Ca -0.14 0.53 -0.04 0.00 0.00 0.00 0.00 55.69 56.04 2h2s s MET 143 Cb 0.20 -3.05 0.05 0.00 0.00 0.00 0.00 34.83 32.03 2h2s s MET 143 CO 0.74 0.55 0.18 0.54 0.00 0.00 0.00 175.02 177.03 2h2s s VAL 144 N -1.32 -0.25 -0.35 -6.03 0.11 0.35 -4.87 120.40 108.05 2h2s s VAL 144 Ca 0.33 0.31 -0.29 0.00 -2.93 0.00 0.00 61.98 59.40 2h2s s VAL 144 Cb -0.16 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 2h2s s VAL 144 CO 0.18 0.13 1.30 -0.89 -3.33 0.00 0.00 175.10 172.49 2h2s s THR 145 N 2.11 4.10 0.00 5.04 2.01 -1.26 -1.97 115.64 125.67 2h2s s THR 145 Ca 0.00 1.21 0.00 0.00 0.31 0.00 0.00 61.69 63.21 2h2s s THR 145 Cb -0.12 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.17 2h2s s THR 145 CO -0.06 -0.60 0.00 0.18 -0.69 0.00 0.00 174.62 173.45 2h2s n LEU 146 N 7.92 0.00 -0.54 4.42 4.77 -1.20 -4.79 117.00 127.58 2h2s n LEU 146 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2h2s n LEU 146 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2h2s n LEU 146 CO 0.66 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2h2s n GLY 147 N 4.94 -1.33 3.93 -0.72 0.00 -1.26 -4.29 105.19 106.46 2h2s n GLY 147 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 2h2s n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h2s s LEU 149 N -4.51 3.02 -0.22 0.00 2.96 -0.91 -0.40 118.68 118.63 2h2s s LEU 149 Ca 0.44 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2h2s s LEU 149 Cb -0.10 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.91 2h2s s LEU 149 CO 0.39 0.20 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.83 2h2s s VAL 150 N 0.17 2.71 0.06 1.68 1.01 0.19 -1.78 120.40 124.43 2h2s s VAL 150 Ca -0.04 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2h2s s VAL 150 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2h2s s VAL 150 CO 0.04 0.37 -0.05 -1.59 0.00 0.00 0.00 175.10 173.87 2h2s s LYS 151 N 1.35 0.60 -0.24 2.72 -2.85 -0.30 -0.37 119.74 120.64 2h2s s LYS 151 Ca 0.03 -1.04 -0.00 0.00 -1.00 0.00 0.00 55.97 53.96 2h2s s LYS 151 Cb -0.15 -0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.60 2h2s s LYS 151 CO -0.07 -0.04 0.20 0.41 0.10 0.00 0.00 175.35 175.95 2h2s n GLY 152 N 0.63 0.35 3.28 0.59 0.00 -0.88 -1.01 105.19 108.15 2h2s n GLY 152 Ca -0.17 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 2h2s n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2h2s s TYR 153 N -3.07 1.40 -0.28 1.61 -0.85 -1.14 -4.33 117.35 110.68 2h2s s TYR 153 Ca 0.02 -0.81 -0.23 0.00 -0.52 0.00 0.00 57.07 55.52 2h2s s TYR 153 Cb -0.01 -0.75 0.12 0.00 0.38 0.00 0.00 41.96 41.71 2h2s s TYR 153 CO 0.14 0.05 1.01 0.12 -1.52 0.00 0.00 175.55 175.35 2h2s s PHE 154 N -3.35 -0.51 0.09 -3.49 5.36 -0.80 -0.69 117.98 114.59 2h2s s PHE 154 Ca 0.21 1.19 -0.00 0.00 -0.96 0.00 0.00 56.93 57.37 2h2s s PHE 154 Cb 0.04 0.37 0.02 0.00 -0.34 0.00 0.00 43.02 43.10 2h2s s PHE 154 CO 0.04 -0.25 0.12 -0.35 -1.46 0.00 0.00 175.22 173.32 2h2s n PRO 155 N 2.49 0.47 -1.68 10.12 -0.04 -1.26 -2.18 135.00 142.92 2h2s n PRO 155 Ca -0.14 -0.30 -0.31 0.00 -0.04 0.00 0.00 63.50 62.71 2h2s n PRO 155 Cb 0.56 -0.08 0.04 0.00 -0.04 0.00 0.00 33.50 33.98 2h2s n PRO 155 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2h2s s GLU 156 N -2.75 3.14 0.45 0.54 0.41 -1.26 -4.75 118.70 114.47 2h2s s GLU 156 Ca 0.08 0.87 0.06 0.00 -0.41 0.00 0.00 54.97 55.57 2h2s s GLU 156 Cb -0.00 -2.02 -0.03 0.00 -1.78 0.00 0.00 34.13 30.29 2h2s s GLU 156 CO 0.05 -0.93 0.20 -1.25 -0.49 0.00 0.00 175.26 172.84 2h2s s PRO 157 N -5.10 2.23 0.30 0.39 0.04 -1.26 -4.90 135.00 126.70 2h2s s PRO 157 Ca 0.57 -1.94 0.10 0.00 0.04 0.00 0.00 61.00 59.77 2h2s s PRO 157 Cb -0.13 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 2h2s s PRO 157 CO 0.55 -0.23 -0.07 0.14 0.04 0.00 0.00 177.00 177.43 2h2s s VAL 158 N -2.66 2.76 -0.02 -0.36 -7.23 -1.26 -4.35 120.40 107.28 2h2s s VAL 158 Ca 0.36 -2.11 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2h2s s VAL 158 Cb 0.03 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 2h2s s VAL 158 CO 0.20 -0.31 -0.15 0.42 -0.31 0.00 0.00 175.10 174.96 2h2s s THR 159 N -2.47 1.19 -0.06 5.32 -4.23 0.40 -4.94 115.64 110.85 2h2s s THR 159 Ca 0.32 -0.62 0.04 0.00 -1.18 0.00 0.00 61.69 60.25 2h2s s THR 159 Cb -0.03 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.80 2h2s s THR 159 CO 0.18 0.34 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.74 2h2s s VAL 160 N -0.20 1.49 0.21 2.29 1.01 -1.26 -0.60 120.40 123.34 2h2s s VAL 160 Ca 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2h2s s VAL 160 Cb -0.07 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2h2s s VAL 160 CO 0.00 0.43 0.03 0.42 0.00 0.00 0.00 175.10 175.98 2h2s s THR 161 N 0.24 0.70 -0.07 3.92 -4.23 -0.82 -4.97 115.64 110.41 2h2s s THR 161 Ca -0.09 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.45 2h2s s THR 161 Cb -0.14 -2.30 0.01 0.00 1.34 0.00 0.00 72.50 71.41 2h2s s THR 161 CO 0.04 -0.32 -0.15 0.26 -0.54 0.00 0.00 174.62 173.91 2h2s s TRP 162 N -3.65 1.71 -1.50 3.99 0.52 -1.26 0.89 118.94 119.64 2h2s s TRP 162 Ca 0.29 -0.63 -0.12 0.00 0.02 0.00 0.00 56.10 55.65 2h2s s TRP 162 Cb 0.06 -1.20 0.07 0.00 -1.15 0.00 0.00 33.47 31.25 2h2s s TRP 162 CO 0.07 -0.29 0.90 0.09 0.02 0.00 0.00 176.95 177.75 2h2s n ASN 163 N 3.66 -4.92 -3.38 2.95 3.02 0.19 -1.07 115.26 115.70 2h2s n ASN 163 Ca -0.21 -0.67 -0.19 0.00 -0.03 0.00 0.00 54.58 53.48 2h2s n ASN 163 Cb 0.52 -3.94 0.08 0.00 -0.61 0.00 0.00 39.78 35.84 2h2s n ASN 163 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2h2s n SER 164 N -2.74 -3.51 0.00 6.41 7.64 -1.26 -1.74 113.62 118.41 2h2s n SER 164 Ca 0.02 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.33 2h2s n SER 164 Cb 0.54 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 2h2s n SER 164 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h2s n GLY 165 N -1.42 0.46 0.36 0.23 0.00 -0.23 -4.66 105.19 99.93 2h2s n GLY 165 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 2h2s n GLY 165 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2h2s h SER 166 N 0.00 0.99 -1.90 1.61 4.64 -1.35 -2.74 113.55 114.80 2h2s h SER 166 Ca 0.00 -0.04 -0.75 0.00 -0.47 0.00 0.00 61.79 60.53 2h2s h SER 166 Cb 0.00 -0.25 -0.17 0.00 -0.31 0.00 0.00 62.40 61.67 2h2s h SER 166 CO 0.00 0.73 1.60 -0.11 -0.87 0.00 0.00 176.83 178.18 2h2s n LEU 167 N -4.39 5.84 -0.10 5.97 7.94 -0.97 -4.78 117.00 126.51 2h2s n LEU 167 Ca 0.09 -4.57 -0.20 0.00 -1.11 0.00 0.00 56.01 50.23 2h2s n LEU 167 Cb 0.04 -1.55 -0.11 0.00 0.53 0.00 0.00 43.42 42.33 2h2s n LEU 167 CO 0.37 1.03 -0.36 0.00 -1.11 0.00 0.00 177.39 177.32 2h2s h ALA 168 N 6.51 0.21 -2.88 1.96 0.00 -1.73 -3.39 119.26 119.94 2h2s h ALA 168 Ca 0.34 -1.06 -0.53 0.00 0.00 0.00 0.00 54.91 53.66 2h2s h ALA 168 Cb 0.77 0.61 0.08 0.00 0.00 0.00 0.00 17.79 19.24 2h2s h ALA 168 CO 1.40 0.58 0.72 0.00 0.00 0.00 0.00 179.25 181.94 2h2s s ALA 169 N -2.35 3.55 -0.51 0.00 0.00 -1.26 -3.84 121.76 117.35 2h2s s ALA 169 Ca -0.26 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.09 2h2s s ALA 169 Cb 0.04 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 2h2s s ALA 169 CO 0.59 -0.82 0.43 0.41 0.00 0.00 0.00 175.76 176.37 2h2s n GLY 170 N 0.91 0.06 2.96 0.00 0.00 -1.26 -4.92 105.19 102.93 2h2s n GLY 170 Ca 0.02 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 2h2s n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h2s s VAL 171 N -3.16 0.59 -0.06 1.61 1.01 -1.25 -3.05 120.40 116.09 2h2s s VAL 171 Ca 0.07 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2h2s s VAL 171 Cb -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.85 2h2s s VAL 171 CO 0.32 0.20 -0.07 -1.00 0.00 0.00 0.00 175.10 174.56 2h2s s HIS 172 N 0.30 1.03 -0.11 5.22 3.76 -0.96 -5.01 115.29 119.51 2h2s s HIS 172 Ca -0.04 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.54 2h2s s HIS 172 Cb -0.08 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.75 2h2s s HIS 172 CO 0.00 -0.27 -0.23 0.99 -0.85 0.00 0.00 174.74 174.38 2h2s s THR 173 N 1.06 2.05 0.15 1.30 2.01 -1.26 -0.89 115.64 120.06 2h2s s THR 173 Ca -0.08 -1.00 -0.06 0.00 0.31 0.00 0.00 61.69 60.86 2h2s s THR 173 Cb -0.14 -1.78 -0.06 0.00 0.01 0.00 0.00 72.50 70.53 2h2s s THR 173 CO -0.01 0.55 0.40 -0.36 -0.69 0.00 0.00 174.62 174.52 2h2s s PHE 174 N 0.48 3.48 0.37 4.92 0.08 -0.97 -5.02 117.98 121.32 2h2s s PHE 174 Ca -0.15 0.63 -0.28 0.00 0.12 0.00 0.00 56.93 57.24 2h2s s PHE 174 Cb -0.17 -2.06 -0.11 0.00 -0.57 0.00 0.00 43.02 40.11 2h2s s PHE 174 CO 0.06 0.42 1.49 -2.14 -0.10 0.00 0.00 175.22 174.95 2h2s s PRO 175 N -2.60 4.11 0.75 0.24 0.02 -1.26 -4.52 135.00 131.75 2h2s s PRO 175 Ca 0.41 2.57 -0.11 0.00 0.02 0.00 0.00 61.00 63.89 2h2s s PRO 175 Cb -0.12 -2.97 0.04 0.00 0.02 0.00 0.00 34.50 31.46 2h2s s PRO 175 CO 0.23 -0.54 1.08 0.00 -0.33 0.00 0.00 177.00 177.45 2h2s s ALA 176 N -1.04 2.48 0.06 -1.55 0.00 -1.26 -4.84 121.76 115.61 2h2s s ALA 176 Ca 0.53 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.46 2h2s s ALA 176 Cb -0.47 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2h2s s ALA 176 CO 0.62 -1.47 -0.15 0.14 0.00 0.00 0.00 175.76 174.90 2h2s s VAL 177 N -3.12 1.17 0.40 0.00 -7.23 -0.82 -4.92 120.40 105.89 2h2s s VAL 177 Ca 0.59 -1.18 -0.25 0.00 -1.81 0.00 0.00 61.98 59.34 2h2s s VAL 177 Cb -0.14 -1.09 -0.09 0.00 0.56 0.00 0.00 36.38 35.63 2h2s s VAL 177 CO 0.54 -0.10 1.12 -0.22 -0.31 0.00 0.00 175.10 176.14 2h2s s LEU 178 N -1.46 4.18 -0.49 1.32 2.96 -1.26 -2.36 118.68 121.57 2h2s s LEU 178 Ca 0.01 2.24 0.07 0.00 -0.22 0.00 0.00 54.13 56.22 2h2s s LEU 178 Cb -0.09 -4.07 0.37 0.00 0.50 0.00 0.00 46.19 42.90 2h2s s LEU 178 CO 0.02 -0.61 0.96 1.67 -1.32 0.00 0.00 176.35 177.07 2h2s n GLN 179 N 0.04 2.77 -3.69 1.98 -0.06 0.77 -4.93 117.38 114.26 2h2s n GLN 179 Ca 0.04 -4.40 -0.26 0.00 -2.00 0.00 0.00 57.00 50.38 2h2s n GLN 179 Cb 0.48 -2.07 -0.03 0.00 -4.06 0.00 0.00 30.24 24.55 2h2s n GLN 179 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2h2s n ALA 180 N -0.22 -1.12 0.00 1.69 0.00 -1.26 -2.96 120.51 116.64 2h2s n ALA 180 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2h2s n ALA 180 Cb 0.55 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2h2s n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2s n ALA 181 N -3.56 0.00 -2.47 0.00 0.00 -1.26 -5.14 120.51 108.07 2h2s n ALA 181 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 2h2s n ALA 181 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 2h2s n ALA 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h2s s LEU 182 N 0.00 2.41 0.24 0.00 1.43 -1.16 -4.86 118.68 116.74 2h2s s LEU 182 Ca 0.00 -1.31 0.09 0.00 -1.03 0.00 0.00 54.13 51.88 2h2s s LEU 182 Cb 0.00 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 2h2s s LEU 182 CO 0.00 -0.48 0.01 -0.31 0.23 0.00 0.00 176.35 175.79 2h2s s TYR 183 N -3.09 2.76 -0.02 0.29 1.51 0.14 0.27 117.35 119.21 2h2s s TYR 183 Ca 0.34 -0.19 -0.12 0.00 -1.01 0.00 0.00 57.07 56.09 2h2s s TYR 183 Cb 0.07 -1.26 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 2h2s s TYR 183 CO 0.15 0.58 0.25 0.99 -1.11 0.00 0.00 175.55 176.40 2h2s s THR 184 N -2.11 0.06 0.04 -0.71 2.01 -1.00 -2.07 115.64 111.86 2h2s s THR 184 Ca 0.30 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.52 2h2s s THR 184 Cb -0.07 -0.53 0.09 0.00 0.01 0.00 0.00 72.50 72.00 2h2s s THR 184 CO 0.20 -0.28 0.90 -1.48 -0.69 0.00 0.00 174.62 173.27 2h2s s LEU 185 N -1.21 -0.33 0.17 4.42 0.05 0.50 -1.94 118.68 120.35 2h2s s LEU 185 Ca -0.13 -0.09 -0.03 0.00 0.05 0.00 0.00 54.13 53.93 2h2s s LEU 185 Cb -0.06 2.07 -0.03 0.00 -2.05 0.00 0.00 46.19 46.12 2h2s s LEU 185 CO 0.03 -0.70 0.14 -0.94 -0.55 0.00 0.00 176.35 174.34 2h2s s SER 186 N -2.60 0.18 0.12 1.48 1.04 -1.26 0.54 113.70 113.20 2h2s s SER 186 Ca 0.07 -1.24 0.06 0.00 0.48 0.00 0.00 55.95 55.31 2h2s s SER 186 Cb -0.01 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 2h2s s SER 186 CO -0.07 -0.83 -0.14 -0.55 0.98 0.00 0.00 173.24 172.64 2h2s s SER 187 N -3.09 2.00 0.12 7.02 0.15 0.47 -2.28 113.70 118.08 2h2s s SER 187 Ca 0.30 -0.81 0.07 0.00 0.70 0.00 0.00 55.95 56.21 2h2s s SER 187 Cb 0.06 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 2h2s s SER 187 CO 0.07 -0.14 -0.17 -0.94 1.20 0.00 0.00 173.24 173.25 2h2s s SER 188 N -2.46 2.31 -0.39 5.45 1.04 -0.07 -1.64 113.70 117.94 2h2s s SER 188 Ca 0.09 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.80 2h2s s SER 188 Cb -0.05 -0.11 0.16 0.00 0.10 0.00 0.00 66.02 66.12 2h2s s SER 188 CO 0.03 -0.04 0.33 0.54 0.98 0.00 0.00 173.24 175.09 2h2s s VAL 189 N -1.64 0.05 0.26 5.02 0.11 -1.26 -2.26 120.40 120.67 2h2s s VAL 189 Ca 0.08 -1.93 -0.28 0.00 -2.93 0.00 0.00 61.98 56.91 2h2s s VAL 189 Cb -0.08 -1.01 -0.15 0.00 -1.53 0.00 0.00 36.38 33.62 2h2s s VAL 189 CO 0.04 -0.95 0.91 0.41 -3.33 0.00 0.00 175.10 172.17 2h2s n THR 190 N 3.48 1.89 -3.59 5.04 -1.04 -1.17 -3.25 114.28 115.64 2h2s n THR 190 Ca 0.20 -0.47 -0.10 0.00 -2.04 0.00 0.00 64.05 61.63 2h2s n THR 190 Cb 0.45 -0.74 -0.02 0.00 -1.82 0.00 0.00 70.33 68.19 2h2s n THR 190 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2h2s s VAL 191 N -0.96 0.01 0.01 12.58 -7.23 -0.83 -4.85 120.40 119.11 2h2s s VAL 191 Ca 0.61 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 60.09 2h2s s VAL 191 Cb -0.77 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 2h2s s VAL 191 CO 0.58 -0.03 1.26 -2.84 -0.31 0.00 0.00 175.10 173.76 2h2s s PRO 192 N -3.81 4.36 0.59 4.82 0.02 -1.26 0.13 135.00 139.85 2h2s s PRO 192 Ca 0.05 1.79 0.32 0.00 0.02 0.00 0.00 61.00 63.18 2h2s s PRO 192 Cb -0.02 -3.48 1.86 0.00 0.02 0.00 0.00 34.50 32.89 2h2s s PRO 192 CO -0.06 -0.41 2.25 0.77 -0.33 0.00 0.00 177.00 179.21 2h2s h SER 193 N 7.29 0.00 0.57 2.53 0.02 -0.56 0.26 113.55 123.66 2h2s h SER 193 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2h2s h SER 193 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2h2s h SER 193 CO 0.86 0.02 0.00 -1.54 -1.14 0.00 0.00 176.83 175.03 2h2s n SER 194 N -3.69 0.37 -0.02 3.07 3.41 -1.26 -2.57 113.62 112.92 2h2s n SER 194 Ca -0.03 0.60 0.07 0.00 -0.26 0.00 0.00 58.87 59.25 2h2s n SER 194 Cb 0.10 -0.67 -0.16 0.00 -0.26 0.00 0.00 64.21 63.22 2h2s n SER 194 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2h2s n SER 195 N -1.92 0.06 -4.12 4.04 2.88 0.91 -4.66 113.62 110.82 2h2s n SER 195 Ca 0.02 0.03 -0.24 0.00 -1.33 0.00 0.00 58.87 57.35 2h2s n SER 195 Cb 0.19 1.72 -0.16 0.00 -0.75 0.00 0.00 64.21 65.21 2h2s n SER 195 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2h2s s TRP 196 N -3.33 1.44 -0.66 0.66 -0.00 -1.06 -0.72 118.94 115.26 2h2s s TRP 196 Ca -0.08 -0.33 0.05 0.00 -0.00 0.00 0.00 56.10 55.73 2h2s s TRP 196 Cb 0.12 -0.95 0.29 0.00 -0.00 0.00 0.00 33.47 32.93 2h2s s TRP 196 CO 0.89 -0.08 0.99 -2.30 -0.00 0.00 0.00 176.95 176.45 2h2s n PRO 197 N 2.93 2.29 0.10 5.86 -0.02 -1.26 -4.71 135.00 140.19 2h2s n PRO 197 Ca -0.16 -1.12 0.09 0.00 -2.02 0.00 0.00 63.50 60.29 2h2s n PRO 197 Cb 0.54 -1.74 0.43 0.00 -0.02 0.00 0.00 33.50 32.71 2h2s n PRO 197 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2h2s n SER 198 N 0.19 0.44 -3.98 2.55 3.41 -1.18 -4.70 113.62 110.35 2h2s n SER 198 Ca 0.11 0.65 -0.08 0.00 -0.26 0.00 0.00 58.87 59.29 2h2s n SER 198 Cb 0.63 -0.73 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 2h2s n SER 198 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2h2s s GLU 199 N -3.30 0.73 0.72 4.33 2.02 0.10 -5.05 118.70 118.26 2h2s s GLU 199 Ca 0.02 -1.10 -0.14 0.00 0.02 0.00 0.00 54.97 53.78 2h2s s GLU 199 Cb 0.07 0.27 0.04 0.00 0.10 0.00 0.00 34.13 34.61 2h2s s GLU 199 CO 0.26 -0.19 1.13 0.99 0.02 0.00 0.00 175.26 177.47 2h2s s THR 200 N -3.89 2.93 -0.28 3.63 2.01 -1.26 -4.69 115.64 114.08 2h2s s THR 200 Ca 0.06 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2h2s s THR 200 Cb 0.06 -2.87 0.14 0.00 0.01 0.00 0.00 72.50 69.85 2h2s s THR 200 CO -0.10 -0.30 0.34 -0.69 -0.69 0.00 0.00 174.62 173.18 2h2s s VAL 201 N -2.41 -0.50 -0.08 3.82 1.01 -1.26 -5.01 120.40 115.98 2h2s s VAL 201 Ca 0.67 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.33 2h2s s VAL 201 Cb -0.22 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2h2s s VAL 201 CO 0.47 -0.37 -0.23 -0.89 0.00 0.00 0.00 175.10 174.08 2h2s s THR 202 N 2.44 2.18 -0.21 3.92 2.01 -1.26 -0.15 115.64 124.57 2h2s s THR 202 Ca 0.10 -1.00 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 2h2s s THR 202 Cb -0.13 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2h2s s THR 202 CO -0.30 0.56 0.31 0.00 -0.69 0.00 0.00 174.62 174.50 2h2s s ASN 204 N 1.00 5.97 -0.01 0.00 -0.87 0.26 -1.71 114.94 119.57 2h2s s ASN 204 Ca 0.15 -1.37 -0.13 0.00 -1.57 0.00 0.00 52.86 49.94 2h2s s ASN 204 Cb -0.14 -2.11 -0.05 0.00 -0.02 0.00 0.00 41.25 38.92 2h2s s ASN 204 CO 0.06 -0.60 0.36 -0.69 -2.57 0.00 0.00 177.10 173.66 2h2s s VAL 205 N 1.57 5.12 -0.01 1.60 1.01 -0.60 -1.94 120.40 127.16 2h2s s VAL 205 Ca 0.04 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.71 2h2s s VAL 205 Cb -0.24 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 2h2s s VAL 205 CO 0.05 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 175.65 2h2s s ALA 206 N -1.11 0.45 -0.30 5.51 0.00 0.24 -1.80 121.76 124.74 2h2s s ALA 206 Ca 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 2h2s s ALA 206 Cb -0.16 -0.13 0.10 0.00 0.00 0.00 0.00 23.12 22.93 2h2s s ALA 206 CO 0.12 0.10 0.10 -1.58 0.00 0.00 0.00 175.76 174.50 2h2s s HIS 207 N -0.05 1.54 0.19 0.00 2.46 -1.02 -0.45 115.29 117.95 2h2s s HIS 207 Ca 0.01 -1.62 -0.13 0.00 0.47 0.00 0.00 55.06 53.80 2h2s s HIS 207 Cb -0.03 -1.60 0.11 0.00 -0.13 0.00 0.00 32.58 30.93 2h2s s HIS 207 CO -0.00 -0.86 1.84 -1.35 -2.47 0.00 0.00 174.74 171.89 2h2s h PRO 208 N 8.13 0.74 -0.14 2.88 0.11 -1.84 -2.19 132.00 139.69 2h2s h PRO 208 Ca -0.14 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.94 2h2s h PRO 208 Cb 1.02 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 2h2s h PRO 208 CO 0.46 0.49 -0.19 0.00 -0.21 0.00 0.00 178.00 178.55 2h2s h ALA 209 N 1.24 -0.47 0.00 -0.75 0.00 -1.90 -1.13 119.26 116.25 2h2s h ALA 209 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2h2s h ALA 209 Cb -0.04 0.85 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2h2s h ALA 209 CO -0.07 -0.56 0.00 -1.13 0.00 0.00 0.00 179.25 177.49 2h2s n SER 210 N -3.62 0.41 -4.22 0.00 3.41 -1.19 -4.85 113.62 103.55 2h2s n SER 210 Ca -0.01 -1.95 -0.32 0.00 -0.26 0.00 0.00 58.87 56.33 2h2s n SER 210 Cb 0.12 -0.20 -0.09 0.00 -0.26 0.00 0.00 64.21 63.78 2h2s n SER 210 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2h2s n SER 211 N -0.29 0.18 -4.50 4.04 7.64 -0.43 -4.89 113.62 115.37 2h2s n SER 211 Ca 0.00 -1.18 -0.30 0.00 1.01 0.00 0.00 58.87 58.40 2h2s n SER 211 Cb 0.10 -1.48 -0.12 0.00 -1.01 0.00 0.00 64.21 61.71 2h2s n SER 211 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2h2s s THR 212 N -3.96 2.97 -0.06 0.44 2.01 -1.00 -5.04 115.64 111.00 2h2s s THR 212 Ca 0.21 -1.26 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 2h2s s THR 212 Cb -0.13 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 70.11 2h2s s THR 212 CO 0.93 0.24 0.04 -0.54 -0.69 0.00 0.00 174.62 174.60 2h2s s LYS 213 N -1.76 0.21 -0.29 4.92 1.02 -1.26 -2.43 119.74 120.15 2h2s s LYS 213 Ca 0.17 0.25 0.03 0.00 0.02 0.00 0.00 55.97 56.44 2h2s s LYS 213 Cb -0.11 -0.74 0.08 0.00 -0.52 0.00 0.00 37.83 36.54 2h2s s LYS 213 CO 0.08 -0.33 -0.02 0.08 -0.92 0.00 0.00 175.35 174.25 2h2s s VAL 214 N 2.08 1.96 -0.48 3.17 1.01 -0.75 -5.02 120.40 122.38 2h2s s VAL 214 Ca 0.05 -1.81 -0.15 0.00 0.00 0.00 0.00 61.98 60.06 2h2s s VAL 214 Cb -0.12 -2.28 0.08 0.00 0.00 0.00 0.00 36.38 34.06 2h2s s VAL 214 CO -0.04 -0.33 0.41 -1.81 0.00 0.00 0.00 175.10 173.33 2h2s s ASP 215 N 1.13 6.15 -0.43 3.32 1.01 -1.26 -1.56 116.67 125.03 2h2s s ASP 215 Ca 0.01 -1.41 -0.15 0.00 0.71 0.00 0.00 52.55 51.71 2h2s s ASP 215 Cb -0.19 -2.19 0.03 0.00 1.01 0.00 0.00 42.92 41.59 2h2s s ASP 215 CO -0.08 -0.68 0.34 -0.75 0.21 0.00 0.00 175.17 174.20 2h2s s LYS 216 N 1.63 2.99 -0.13 8.23 2.47 -0.69 -4.93 119.74 129.31 2h2s s LYS 216 Ca 0.04 -1.06 -0.29 0.00 -1.56 0.00 0.00 55.97 53.09 2h2s s LYS 216 Cb -0.25 -4.01 -0.02 0.00 -1.46 0.00 0.00 37.83 32.09 2h2s s LYS 216 CO 0.06 -0.83 1.20 0.21 0.16 0.00 0.00 175.35 176.15 2h2s s LYS 217 N 1.73 4.29 -0.17 4.03 2.20 -1.26 -1.89 119.74 128.67 2h2s s LYS 217 Ca 0.06 1.62 -0.29 0.00 -0.36 0.00 0.00 55.97 57.00 2h2s s LYS 217 Cb -0.20 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.41 2h2s s LYS 217 CO 0.10 -0.57 2.07 0.42 -0.36 0.00 0.00 175.35 177.00 2h2s s ILE 218 N 2.87 3.11 -0.36 5.43 -1.09 0.79 -4.91 121.20 127.05 2h2s s ILE 218 Ca 0.54 0.12 -0.14 0.00 -2.23 0.00 0.00 60.65 58.94 2h2s s ILE 218 Cb -0.22 -3.13 -0.01 0.00 -1.58 0.00 0.00 42.46 37.52 2h2s s ILE 218 CO 0.17 -0.07 0.26 -0.69 -1.23 0.00 0.00 174.94 173.39 2h2s s VAL 219 N 7.00 5.27 -0.23 2.92 1.01 -1.26 -4.81 120.40 130.29 2h2s s VAL 219 Ca 0.93 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 2h2s s VAL 219 Cb -0.34 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2h2s s VAL 219 CO 0.36 -0.08 1.96 -2.16 0.00 0.00 0.00 175.10 175.18 2h2s s PRO 220 N 1.74 3.40 0.35 2.72 0.04 -1.26 -4.50 135.00 137.48 2h2s s PRO 220 Ca 0.06 1.82 -0.24 0.00 0.04 0.00 0.00 61.00 62.69 2h2s s PRO 220 Cb -0.18 -4.24 -0.15 0.00 0.04 0.00 0.00 34.50 29.97 2h2s s PRO 220 CO 0.11 -1.79 0.45 2.89 0.04 0.00 0.00 177.00 178.70 2h2s n ARG 221 N 8.36 0.33 0.00 4.56 1.85 -1.26 -5.10 116.66 125.40 2h2s n ARG 221 Ca 0.25 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 57.22 2h2s n ARG 221 Cb 0.45 -1.26 0.03 0.00 -1.05 0.00 0.00 32.46 30.63 2h2s n ARG 221 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62