#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmx s VAL 2 N 0.00 2.47 -0.12 2.62 1.01 -1.26 -3.98 120.40 121.14 3hmx s VAL 2 Ca 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 3hmx s VAL 2 Cb 0.00 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.22 3hmx s VAL 2 CO 0.00 0.03 0.23 -1.10 0.00 0.00 0.00 175.10 174.26 3hmx s GLN 3 N 0.79 0.11 -0.41 2.72 -0.21 -0.42 -5.00 119.66 117.24 3hmx s GLN 3 Ca 0.69 0.64 -0.12 0.00 0.02 0.00 0.00 55.36 56.59 3hmx s GLN 3 Cb -0.45 -0.21 0.05 0.00 1.00 0.00 0.00 33.01 33.40 3hmx s GLN 3 CO 0.34 -0.32 0.27 -0.51 -2.12 0.00 0.00 175.29 172.95 3hmx s LEU 4 N 2.37 5.08 -0.30 2.90 1.43 -1.26 -1.81 118.68 127.09 3hmx s LEU 4 Ca 0.02 -1.18 -0.06 0.00 -1.03 0.00 0.00 54.13 51.88 3hmx s LEU 4 Cb -0.12 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.04 3hmx s LEU 4 CO -0.08 -0.49 0.07 -0.69 0.23 0.00 0.00 176.35 175.39 3hmx s VAL 5 N 1.56 3.84 0.30 -1.59 1.01 0.31 -3.84 120.40 121.99 3hmx s VAL 5 Ca 0.03 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 3hmx s VAL 5 Cb -0.21 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3hmx s VAL 5 CO 0.06 0.05 0.51 -1.10 0.00 0.00 0.00 175.10 174.62 3hmx s GLN 6 N 1.47 3.51 0.77 2.72 -0.21 -1.26 -0.36 119.66 126.30 3hmx s GLN 6 Ca 0.02 -0.30 -0.11 0.00 0.02 0.00 0.00 55.36 54.99 3hmx s GLN 6 Cb -0.17 -2.70 0.06 0.00 1.00 0.00 0.00 33.01 31.19 3hmx s GLN 6 CO 0.02 0.22 1.09 -1.54 -2.12 0.00 0.00 175.29 172.96 3hmx s SER 7 N -3.73 4.52 0.79 5.90 1.04 -1.06 -4.96 113.70 116.21 3hmx s SER 7 Ca 0.40 1.82 -0.11 0.00 0.48 0.00 0.00 55.95 58.54 3hmx s SER 7 Cb -0.10 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 63.56 3hmx s SER 7 CO 0.33 -2.02 1.08 -0.83 0.98 0.00 0.00 173.24 172.79 3hmx s GLY 8 N -3.39 1.65 0.24 7.32 0.00 -1.26 -4.63 107.32 107.25 3hmx s GLY 8 Ca 0.61 0.07 -0.31 0.00 0.00 0.00 0.00 44.72 45.09 3hmx s GLY 8 CO 0.56 0.45 1.38 0.00 0.00 0.00 0.00 173.10 175.48 3hmx n ALA 9 N -3.49 0.98 -2.46 3.20 0.00 -1.26 -4.81 120.51 112.67 3hmx n ALA 9 Ca 0.08 0.41 -0.26 0.00 0.00 0.00 0.00 53.44 53.67 3hmx n ALA 9 Cb 0.54 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 3hmx n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hmx s GLU 10 N -0.54 1.63 -0.03 0.00 0.41 -0.24 -4.97 118.70 114.95 3hmx s GLU 10 Ca 0.67 -1.54 -0.00 0.00 -0.41 0.00 0.00 54.97 53.69 3hmx s GLU 10 Cb -0.66 -1.87 0.03 0.00 -1.78 0.00 0.00 34.13 29.85 3hmx s GLU 10 CO 0.51 0.39 0.01 0.14 -0.49 0.00 0.00 175.26 175.82 3hmx s VAL 11 N -1.86 0.14 0.10 2.63 -7.23 -1.26 -1.89 120.40 111.04 3hmx s VAL 11 Ca 0.23 0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 60.53 3hmx s VAL 11 Cb -0.07 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 3hmx s VAL 11 CO 0.12 0.15 0.03 -0.54 -0.31 0.00 0.00 175.10 174.55 3hmx s LYS 12 N 1.25 0.83 -0.05 4.82 -0.14 0.82 -4.98 119.74 122.28 3hmx s LYS 12 Ca -0.07 -1.36 -0.04 0.00 -1.36 0.00 0.00 55.97 53.14 3hmx s LYS 12 Cb -0.13 0.23 -0.04 0.00 -1.68 0.00 0.00 37.83 36.21 3hmx s LYS 12 CO -0.02 -0.21 0.16 0.15 -0.76 0.00 0.00 175.35 174.66 3hmx s LYS 13 N -4.01 3.41 -0.10 1.68 1.02 -1.25 -1.30 119.74 119.20 3hmx s LYS 13 Ca 0.18 -0.27 -0.38 0.00 0.02 0.00 0.00 55.97 55.52 3hmx s LYS 13 Cb 0.08 -3.11 -0.15 0.00 -0.52 0.00 0.00 37.83 34.12 3hmx s LYS 13 CO -0.02 0.71 1.60 -2.30 -0.92 0.00 0.00 175.35 174.42 3hmx n PRO 14 N 1.30 1.33 0.00 -1.68 -0.02 -1.26 -1.60 135.00 133.08 3hmx n PRO 14 Ca -0.14 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3hmx n PRO 14 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3hmx n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hmx n GLY 15 N 3.57 2.75 3.78 -1.23 0.00 0.15 -4.92 105.19 109.29 3hmx n GLY 15 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 3hmx n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hmx s GLU 16 N -0.45 2.64 0.36 1.61 2.02 -0.63 -4.43 118.70 119.83 3hmx s GLU 16 Ca 0.00 1.19 0.06 0.00 0.02 0.00 0.00 54.97 56.24 3hmx s GLU 16 Cb 0.00 -1.94 -0.00 0.00 0.10 0.00 0.00 34.13 32.28 3hmx s GLU 16 CO 0.00 -1.35 0.51 -1.54 0.02 0.00 0.00 175.26 172.90 3hmx s SER 17 N -3.20 5.90 -0.28 -0.19 1.04 -1.24 -1.28 113.70 114.44 3hmx s SER 17 Ca 0.62 -0.18 -0.22 0.00 0.48 0.00 0.00 55.95 56.66 3hmx s SER 17 Cb -0.17 -1.16 0.11 0.00 0.10 0.00 0.00 66.02 64.90 3hmx s SER 17 CO 0.50 -0.52 0.91 -0.22 0.98 0.00 0.00 173.24 174.89 3hmx s LEU 18 N -4.25 -0.59 -0.14 2.42 2.96 -1.09 -4.99 118.68 113.01 3hmx s LEU 18 Ca 0.47 1.06 -0.00 0.00 -0.22 0.00 0.00 54.13 55.44 3hmx s LEU 18 Cb -0.10 2.03 0.03 0.00 0.50 0.00 0.00 46.19 48.66 3hmx s LEU 18 CO 0.32 -0.18 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.32 3hmx s LYS 19 N 0.68 1.85 0.12 1.98 2.20 -1.26 -1.04 119.74 124.27 3hmx s LYS 19 Ca -0.02 -0.46 0.06 0.00 -0.36 0.00 0.00 55.97 55.19 3hmx s LYS 19 Cb -0.05 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.31 3hmx s LYS 19 CO -0.09 -0.29 0.01 0.96 -0.36 0.00 0.00 175.35 175.58 3hmx s ILE 20 N 1.59 3.95 0.51 5.43 -4.36 -0.03 -4.97 121.20 123.31 3hmx s ILE 20 Ca 0.04 -1.13 0.01 0.00 -0.26 0.00 0.00 60.65 59.31 3hmx s ILE 20 Cb -0.13 -2.92 -0.01 0.00 1.25 0.00 0.00 42.46 40.65 3hmx s ILE 20 CO -0.09 0.03 0.01 -0.94 0.24 0.00 0.00 174.94 174.20 3hmx s SER 21 N -2.56 4.03 -0.30 4.36 1.04 -1.26 -1.22 113.70 117.79 3hmx s SER 21 Ca 0.26 -1.69 0.01 0.00 0.48 0.00 0.00 55.95 55.02 3hmx s SER 21 Cb -0.11 0.61 0.19 0.00 0.10 0.00 0.00 66.02 66.81 3hmx s SER 21 CO 0.19 -0.90 0.74 0.00 0.98 0.00 0.00 173.24 174.25 3hmx s LYS 23 N 2.80 4.40 0.14 0.00 2.20 0.52 -2.45 119.74 127.34 3hmx s LYS 23 Ca 0.16 1.06 0.04 0.00 -0.36 0.00 0.00 55.97 56.86 3hmx s LYS 23 Cb -0.07 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3hmx s LYS 23 CO -0.24 -0.14 0.17 0.20 -0.36 0.00 0.00 175.35 174.98 3hmx s GLY 24 N 1.00 1.78 0.04 5.54 0.00 -0.56 -0.53 107.32 114.59 3hmx s GLY 24 Ca 0.41 -1.12 -0.28 0.00 0.00 0.00 0.00 44.72 43.73 3hmx s GLY 24 CO 0.17 -1.12 0.93 -1.35 0.00 0.00 0.00 173.10 171.73 3hmx s SER 25 N -3.01 -0.29 0.00 1.64 1.04 -0.75 -4.86 113.70 107.47 3hmx s SER 25 Ca 0.32 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.62 3hmx s SER 25 Cb -0.11 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3hmx s SER 25 CO 0.25 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.38 3hmx n GLY 26 N -0.32 0.55 3.42 7.32 0.00 -1.26 -1.30 105.19 113.61 3hmx n GLY 26 Ca -0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 3hmx n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hmx s TYR 27 N -2.00 -0.52 -0.53 1.61 -0.85 -1.26 -4.16 117.35 109.64 3hmx s TYR 27 Ca 0.00 0.43 -0.27 0.00 -0.52 0.00 0.00 57.07 56.71 3hmx s TYR 27 Cb 0.00 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.80 3hmx s TYR 27 CO 0.00 -0.78 1.92 -1.54 -1.52 0.00 0.00 175.55 173.64 3hmx s SER 28 N -2.43 5.29 0.57 -0.18 1.04 -1.26 -4.85 113.70 111.89 3hmx s SER 28 Ca -0.01 0.65 0.27 0.00 0.48 0.00 0.00 55.95 57.34 3hmx s SER 28 Cb -0.01 -2.52 1.69 0.00 0.10 0.00 0.00 66.02 65.28 3hmx s SER 28 CO -0.08 -2.30 2.23 0.15 0.98 0.00 0.00 173.24 174.21 3hmx h PHE 29 N 15.15 0.00 -0.20 5.02 3.04 -1.97 -2.27 116.94 135.71 3hmx h PHE 29 Ca -0.27 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.68 3hmx h PHE 29 Cb 1.18 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.69 3hmx h PHE 29 CO 1.01 0.01 0.00 0.25 -2.02 0.00 0.00 178.31 177.56 3hmx n THR 30 N -3.98 0.25 -0.05 4.41 -2.24 -1.26 -4.01 114.28 107.40 3hmx n THR 30 Ca -0.03 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.21 3hmx n THR 30 Cb 0.09 0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 68.97 3hmx n THR 30 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hmx n THR 31 N 0.89 1.15 -4.78 4.28 -1.04 -0.85 -4.75 114.28 109.18 3hmx n THR 31 Ca 0.17 -0.76 -0.33 0.00 -2.04 0.00 0.00 64.05 61.09 3hmx n THR 31 Cb 0.48 -0.51 -0.13 0.00 -1.82 0.00 0.00 70.33 68.35 3hmx n THR 31 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3hmx s TYR 32 N -2.76 2.80 0.44 -1.42 1.51 -1.25 -4.92 117.35 111.74 3hmx s TYR 32 Ca -0.08 -0.32 -0.21 0.00 -1.01 0.00 0.00 57.07 55.45 3hmx s TYR 32 Cb 0.08 -1.74 -0.10 0.00 -0.11 0.00 0.00 41.96 40.09 3hmx s TYR 32 CO 0.84 0.04 0.98 -1.58 -1.11 0.00 0.00 175.55 174.73 3hmx s TRP 33 N -0.27 3.24 0.04 2.71 0.52 -1.26 -4.50 118.94 119.43 3hmx s TRP 33 Ca 0.02 1.62 0.06 0.00 0.02 0.00 0.00 56.10 57.82 3hmx s TRP 33 Cb -0.13 -2.94 -0.03 0.00 -1.15 0.00 0.00 33.47 29.22 3hmx s TRP 33 CO 0.03 -0.33 -0.13 -0.51 0.02 0.00 0.00 176.95 176.03 3hmx s LEU 34 N -3.15 2.88 0.05 2.99 1.43 -0.24 -0.94 118.68 121.70 3hmx s LEU 34 Ca 0.62 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3hmx s LEU 34 Cb -0.13 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3hmx s LEU 34 CO 0.17 0.25 -0.03 -0.83 0.23 0.00 0.00 176.35 176.13 3hmx s GLY 35 N -1.61 0.48 0.19 -3.19 0.00 0.27 -1.02 107.32 102.44 3hmx s GLY 35 Ca 0.17 -1.17 0.11 0.00 0.00 0.00 0.00 44.72 43.83 3hmx s GLY 35 CO 0.08 -1.28 -0.21 -0.98 0.00 0.00 0.00 173.10 170.71 3hmx s TRP 36 N -3.68 2.36 -0.05 1.90 0.52 -0.92 0.53 118.94 119.60 3hmx s TRP 36 Ca 0.06 -0.33 -0.04 0.00 0.02 0.00 0.00 56.10 55.80 3hmx s TRP 36 Cb 0.06 -1.16 0.02 0.00 -1.15 0.00 0.00 33.47 31.24 3hmx s TRP 36 CO -0.09 0.51 0.14 0.08 0.02 0.00 0.00 176.95 177.61 3hmx s VAL 37 N -1.71 -0.01 0.08 4.03 1.01 0.74 -2.16 120.40 122.38 3hmx s VAL 37 Ca 0.22 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.27 3hmx s VAL 37 Cb -0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 3hmx s VAL 37 CO 0.11 0.02 0.14 0.00 0.00 0.00 0.00 175.10 175.37 3hmx s ARG 38 N 0.40 3.12 -0.25 2.72 1.70 0.11 -0.70 118.95 126.05 3hmx s ARG 38 Ca -0.03 -0.60 -0.04 0.00 -0.47 0.00 0.00 55.73 54.60 3hmx s ARG 38 Cb -0.04 -2.86 0.08 0.00 -0.57 0.00 0.00 34.95 31.57 3hmx s ARG 38 CO -0.02 0.58 0.10 -1.14 -1.08 0.00 0.00 175.30 173.74 3hmx s GLN 39 N -2.49 0.31 0.38 3.89 0.74 0.25 0.43 119.66 123.16 3hmx s GLN 39 Ca 0.32 -0.48 -0.24 0.00 0.05 0.00 0.00 55.36 55.01 3hmx s GLN 39 Cb -0.12 -1.60 -0.09 0.00 1.10 0.00 0.00 33.01 32.29 3hmx s GLN 39 CO 0.25 -0.87 1.01 -1.64 -0.55 0.00 0.00 175.29 173.49 3hmx s MET 40 N 2.00 4.28 -0.37 1.67 -1.94 -1.25 -1.33 119.30 122.36 3hmx s MET 40 Ca 0.06 1.43 -0.15 0.00 -1.71 0.00 0.00 55.69 55.32 3hmx s MET 40 Cb -0.16 -2.58 -0.09 0.00 2.01 0.00 0.00 34.83 34.01 3hmx s MET 40 CO -0.24 -0.02 1.08 -2.30 -0.01 0.00 0.00 175.02 173.54 3hmx n PRO 41 N 0.05 0.00 -2.56 2.03 -0.02 -1.26 0.69 135.00 133.93 3hmx n PRO 41 Ca 0.04 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.39 3hmx n PRO 41 Cb 0.50 -0.64 0.01 0.00 -0.02 0.00 0.00 33.50 33.36 3hmx n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hmx n GLY 42 N 2.86 -0.08 0.00 -1.23 0.00 -1.26 -5.01 105.19 100.48 3hmx n GLY 42 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hmx n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hmx n LYS 43 N -2.55 1.20 -0.12 1.61 5.02 0.22 -5.17 118.16 118.37 3hmx n LYS 43 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3hmx n LYS 43 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 3hmx n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hmx n GLY 44 N 2.54 0.20 3.44 0.72 0.00 -1.26 -4.71 105.19 106.12 3hmx n GLY 44 Ca 0.00 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 3hmx n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hmx s LEU 45 N 0.00 3.37 -0.29 0.99 1.43 -1.26 -3.93 118.68 119.00 3hmx s LEU 45 Ca 0.00 -0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 3hmx s LEU 45 Cb 0.00 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3hmx s LEU 45 CO 0.00 -0.01 0.46 -1.81 0.23 0.00 0.00 176.35 175.21 3hmx s ASP 46 N 1.47 6.33 -0.41 2.29 1.01 0.17 -4.94 116.67 122.60 3hmx s ASP 46 Ca 0.06 0.29 -0.28 0.00 0.71 0.00 0.00 52.55 53.32 3hmx s ASP 46 Cb -0.15 -2.25 -0.00 0.00 1.01 0.00 0.00 42.92 41.53 3hmx s ASP 46 CO 0.03 -0.29 1.59 0.86 0.21 0.00 0.00 175.17 177.56 3hmx s TRP 47 N 2.23 2.12 0.00 4.23 -0.00 -1.26 -0.72 118.94 125.54 3hmx s TRP 47 Ca 0.18 0.64 -0.18 0.00 -0.00 0.00 0.00 56.10 56.74 3hmx s TRP 47 Cb -0.16 -4.24 -0.34 0.00 -0.00 0.00 0.00 33.47 28.74 3hmx s TRP 47 CO 0.10 -2.37 0.97 0.82 -0.00 0.00 0.00 176.95 176.47 3hmx h ILE 48 N 6.62 1.37 0.00 5.86 2.04 -1.80 -3.42 117.51 128.18 3hmx h ILE 48 Ca -0.30 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 62.95 3hmx h ILE 48 Cb 1.13 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 40.28 3hmx h ILE 48 CO 1.08 0.77 0.00 0.61 0.00 0.00 0.00 178.15 180.61 3hmx n GLY 49 N 1.66 -1.13 3.20 5.37 0.00 -1.21 -0.99 105.19 112.09 3hmx n GLY 49 Ca -0.15 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 3hmx n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hmx s ILE 50 N -2.51 0.12 0.06 -0.61 -1.09 -0.96 -2.18 121.20 114.04 3hmx s ILE 50 Ca 0.00 -1.01 -0.27 0.00 -2.23 0.00 0.00 60.65 57.14 3hmx s ILE 50 Cb 0.00 -1.15 0.09 0.00 -1.58 0.00 0.00 42.46 39.82 3hmx s ILE 50 CO 0.00 -0.56 0.89 0.00 -1.23 0.00 0.00 174.94 174.04 3hmx s MET 51 N -3.28 0.99 0.04 2.79 0.23 -0.19 0.18 119.30 120.05 3hmx s MET 51 Ca 0.00 -0.44 -0.06 0.00 -1.03 0.00 0.00 55.69 54.17 3hmx s MET 51 Cb 0.02 0.41 -0.05 0.00 -1.53 0.00 0.00 34.83 33.68 3hmx s MET 51 CO -0.08 -0.44 0.29 0.45 -2.03 0.00 0.00 175.02 173.21 3hmx s SER 52 N -2.65 6.50 0.21 -1.18 0.15 -0.93 -1.08 113.70 114.71 3hmx s SER 52 Ca 0.07 0.56 0.01 0.00 0.70 0.00 0.00 55.95 57.29 3hmx s SER 52 Cb -0.01 -2.09 0.15 0.00 -1.71 0.00 0.00 66.02 62.36 3hmx s SER 52 CO -0.06 0.21 1.51 1.55 1.20 0.00 0.00 173.24 177.65 3hmx h PRO 53 N 3.73 0.37 0.00 5.44 0.13 -1.86 -3.42 132.00 136.39 3hmx h PRO 53 Ca -0.49 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 3hmx h PRO 53 Cb 1.19 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hmx h PRO 53 CO 0.68 0.88 0.00 0.28 -0.23 0.00 0.00 178.00 179.61 3hmx n VAL 54 N -3.88 0.00 -2.58 1.56 0.31 -1.26 -4.52 118.33 107.95 3hmx n VAL 54 Ca -0.03 0.17 -0.30 0.00 -0.01 0.00 0.00 64.34 64.17 3hmx n VAL 54 Cb 0.64 -0.85 -0.01 0.00 -0.91 0.00 0.00 33.84 32.71 3hmx n VAL 54 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 3hmx s ASP 55 N -1.85 6.39 -1.47 4.52 1.47 -1.26 -4.97 116.67 119.50 3hmx s ASP 55 Ca 0.00 1.14 -0.11 0.00 1.18 0.00 0.00 52.55 54.77 3hmx s ASP 55 Cb 0.00 -2.34 0.02 0.00 -0.34 0.00 0.00 42.92 40.27 3hmx s ASP 55 CO 0.00 -0.55 2.46 -1.54 0.68 0.00 0.00 175.17 176.21 3hmx n SER 56 N -1.89 6.31 -4.22 2.11 3.41 -1.26 -4.31 113.62 113.77 3hmx n SER 56 Ca 0.03 -2.83 -0.42 0.00 -0.26 0.00 0.00 58.87 55.39 3hmx n SER 56 Cb 0.54 -1.56 -0.07 0.00 -0.26 0.00 0.00 64.21 62.87 3hmx n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hmx s ASP 57 N 2.12 5.90 0.25 4.04 3.68 -1.26 -5.01 116.67 126.39 3hmx s ASP 57 Ca 0.55 -2.39 0.06 0.00 2.13 0.00 0.00 52.55 52.90 3hmx s ASP 57 Cb 0.15 -2.04 -0.03 0.00 -1.45 0.00 0.00 42.92 39.55 3hmx s ASP 57 CO -0.07 -0.58 0.26 -0.63 0.13 0.00 0.00 175.17 174.28 3hmx s ILE 58 N 0.63 4.76 -0.40 4.11 1.01 -1.26 -2.18 121.20 127.87 3hmx s ILE 58 Ca 0.12 -1.24 0.03 0.00 0.00 0.00 0.00 60.65 59.57 3hmx s ILE 58 Cb -0.20 -3.58 0.16 0.00 0.01 0.00 0.00 42.46 38.86 3hmx s ILE 58 CO -0.04 -0.34 0.33 -0.60 0.00 0.00 0.00 174.94 174.30 3hmx s ARG 59 N -3.88 0.82 0.20 2.79 6.06 0.13 -4.96 118.95 120.11 3hmx s ARG 59 Ca 0.33 -1.81 -0.30 0.00 -2.50 0.00 0.00 55.73 51.45 3hmx s ARG 59 Cb -0.08 -1.27 -0.08 0.00 0.06 0.00 0.00 34.95 33.57 3hmx s ARG 59 CO 0.26 -1.34 1.08 0.71 -2.50 0.00 0.00 175.30 173.52 3hmx s TYR 60 N 0.41 3.63 0.19 5.12 2.02 -1.26 -2.27 117.35 125.19 3hmx s TYR 60 Ca 0.29 1.66 -0.32 0.00 -0.37 0.00 0.00 57.07 58.32 3hmx s TYR 60 Cb -0.03 -3.24 -0.11 0.00 -0.40 0.00 0.00 41.96 38.17 3hmx s TYR 60 CO -0.13 -0.47 1.66 0.45 -1.57 0.00 0.00 175.55 175.48 3hmx s SER 61 N -0.38 6.46 0.59 2.29 0.15 -0.16 -4.76 113.70 117.90 3hmx s SER 61 Ca 0.47 2.76 0.29 0.00 0.70 0.00 0.00 55.95 60.18 3hmx s SER 61 Cb -0.29 -2.60 1.35 0.00 -1.71 0.00 0.00 66.02 62.76 3hmx s SER 61 CO 0.36 -0.91 1.74 -0.65 1.20 0.00 0.00 173.24 174.97 3hmx h PRO 62 N 6.82 0.00 0.00 5.44 0.11 -1.94 0.65 132.00 143.09 3hmx h PRO 62 Ca -0.43 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 3hmx h PRO 62 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3hmx h PRO 62 CO 0.94 0.00 -0.53 0.77 -0.21 0.00 0.00 178.00 178.97 3hmx h SER 63 N 0.00 0.00 0.00 -2.05 0.02 -1.94 -3.22 113.55 106.36 3hmx h SER 63 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3hmx h SER 63 Cb 1.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.24 3hmx h SER 63 CO -0.00 0.53 -1.28 0.49 -1.14 0.00 0.00 176.83 175.43 3hmx n PHE 64 N -3.49 0.00 -1.57 3.45 3.72 0.22 -4.85 117.46 114.94 3hmx n PHE 64 Ca 0.00 0.00 -0.53 0.00 -0.05 0.00 0.00 57.45 56.87 3hmx n PHE 64 Cb 0.64 -0.18 -0.06 0.00 -0.94 0.00 0.00 39.48 38.94 3hmx n PHE 64 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3hmx n GLN 65 N -1.73 0.91 -0.71 -1.08 -0.06 -0.45 -0.18 117.38 114.08 3hmx n GLN 65 Ca 0.01 0.33 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 3hmx n GLN 65 Cb 0.38 -1.93 0.00 0.00 -4.06 0.00 0.00 30.24 24.63 3hmx n GLN 65 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hmx n GLY 66 N 2.28 0.36 0.11 1.69 0.00 -1.26 -4.71 105.19 103.66 3hmx n GLY 66 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3hmx n GLY 66 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hmx n GLN 67 N -1.88 0.68 -4.39 1.61 1.13 0.74 -5.02 117.38 110.24 3hmx n GLN 67 Ca 0.00 0.10 -0.20 0.00 -1.94 0.00 0.00 57.00 54.96 3hmx n GLN 67 Cb 0.02 -1.57 -0.09 0.00 0.11 0.00 0.00 30.24 28.71 3hmx n GLN 67 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3hmx s VAL 68 N -2.52 0.52 -0.05 5.09 -7.23 -1.02 -4.68 120.40 110.51 3hmx s VAL 68 Ca -0.18 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 57.98 3hmx s VAL 68 Cb 0.07 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.52 3hmx s VAL 68 CO 0.75 0.00 0.03 -0.89 -0.31 0.00 0.00 175.10 174.68 3hmx s THR 69 N -3.49 0.10 -0.08 5.32 2.01 -0.59 -4.90 115.64 114.02 3hmx s THR 69 Ca 0.33 0.26 -0.05 0.00 0.31 0.00 0.00 61.69 62.54 3hmx s THR 69 Cb 0.05 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 3hmx s THR 69 CO 0.16 0.20 0.16 -0.04 -0.69 0.00 0.00 174.62 174.41 3hmx s MET 70 N 1.88 3.44 0.33 4.92 -1.94 -1.26 -1.50 119.30 125.16 3hmx s MET 70 Ca 0.02 -0.20 -0.06 0.00 -1.71 0.00 0.00 55.69 53.73 3hmx s MET 70 Cb -0.12 -3.15 0.01 0.00 2.01 0.00 0.00 34.83 33.57 3hmx s MET 70 CO -0.04 0.74 0.51 -1.54 -0.01 0.00 0.00 175.02 174.69 3hmx s SER 71 N -1.37 0.57 -0.30 3.03 1.04 -0.62 -4.99 113.70 111.07 3hmx s SER 71 Ca 0.20 -1.33 -0.12 0.00 0.48 0.00 0.00 55.95 55.18 3hmx s SER 71 Cb -0.12 0.67 0.17 0.00 0.10 0.00 0.00 66.02 66.83 3hmx s SER 71 CO 0.09 -1.31 0.91 0.54 0.98 0.00 0.00 173.24 174.45 3hmx s VAL 72 N -3.16 -0.59 -0.94 5.02 0.11 -1.26 -1.58 120.40 117.99 3hmx s VAL 72 Ca 0.27 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.17 3hmx s VAL 72 Cb -0.01 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 34.03 3hmx s VAL 72 CO 0.17 0.00 1.01 -0.62 -3.33 0.00 0.00 175.10 172.32 3hmx s ASP 73 N 2.66 6.82 0.60 3.54 2.15 -0.69 -4.91 116.67 126.84 3hmx s ASP 73 Ca 0.00 -2.61 0.40 0.00 0.43 0.00 0.00 52.55 50.78 3hmx s ASP 73 Cb -0.09 -2.30 2.09 0.00 -0.30 0.00 0.00 42.92 42.33 3hmx s ASP 73 CO -0.17 -0.73 2.22 0.07 -0.17 0.00 0.00 175.17 176.39 3hmx h LYS 74 N 7.95 0.00 -0.15 4.34 2.10 -1.83 -1.75 116.57 127.23 3hmx h LYS 74 Ca 0.16 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.77 3hmx h LYS 74 Cb 1.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.32 3hmx h LYS 74 CO 0.96 0.00 -0.09 0.66 -2.00 0.00 0.00 179.45 178.99 3hmx h SER 75 N 0.00 0.21 -0.22 7.07 4.64 -1.95 -2.27 113.55 121.03 3hmx h SER 75 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hmx h SER 75 Cb 0.10 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3hmx h SER 75 CO 0.00 0.33 0.00 2.30 -0.87 0.00 0.00 176.83 178.59 3hmx n ILE 76 N -4.32 0.62 -3.53 0.95 -5.35 -0.71 -5.02 119.36 102.00 3hmx n ILE 76 Ca -0.01 -0.81 -0.24 0.00 -0.27 0.00 0.00 62.75 61.43 3hmx n ILE 76 Cb 0.23 0.78 0.05 0.00 -1.74 0.00 0.00 39.64 38.96 3hmx n ILE 76 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3hmx n THR 77 N 0.55 -6.79 -3.71 7.28 -2.24 -0.86 -4.81 114.28 103.71 3hmx n THR 77 Ca 0.10 -1.01 -0.18 0.00 -2.27 0.00 0.00 64.05 60.69 3hmx n THR 77 Cb 0.37 -5.03 -0.17 0.00 -2.10 0.00 0.00 70.33 63.40 3hmx n THR 77 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hmx s THR 78 N -3.48 -0.09 0.26 4.28 2.01 -1.19 -1.50 115.64 115.92 3hmx s THR 78 Ca 0.37 0.35 -0.06 0.00 0.31 0.00 0.00 61.69 62.66 3hmx s THR 78 Cb -0.10 -0.13 -0.06 0.00 0.01 0.00 0.00 72.50 72.23 3hmx s THR 78 CO 0.81 0.14 0.53 0.00 -0.69 0.00 0.00 174.62 175.41 3hmx s ALA 79 N 1.75 3.62 -0.02 7.40 0.00 -1.03 -1.70 121.76 131.79 3hmx s ALA 79 Ca -0.00 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.52 3hmx s ALA 79 Cb -0.12 -2.32 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 3hmx s ALA 79 CO -0.03 0.37 -0.12 0.71 0.00 0.00 0.00 175.76 176.69 3hmx s TYR 80 N -1.96 1.15 -0.03 0.00 2.02 -0.62 -1.99 117.35 115.93 3hmx s TYR 80 Ca 0.45 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.94 3hmx s TYR 80 Cb -0.11 -0.77 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 3hmx s TYR 80 CO 0.27 -0.06 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.84 3hmx s LEU 81 N -0.11 2.56 -0.03 -1.29 2.96 -0.36 -1.58 118.68 120.83 3hmx s LEU 81 Ca 0.01 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.58 3hmx s LEU 81 Cb -0.07 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.13 3hmx s LEU 81 CO 0.00 0.33 0.13 -1.58 -1.32 0.00 0.00 176.35 173.91 3hmx s GLN 82 N -0.80 0.27 0.17 1.98 -0.44 -0.56 -0.85 119.66 119.43 3hmx s GLN 82 Ca 0.12 -0.02 0.10 0.00 -2.50 0.00 0.00 55.36 53.05 3hmx s GLN 82 Cb -0.10 0.12 -0.04 0.00 -1.64 0.00 0.00 33.01 31.34 3hmx s GLN 82 CO 0.01 -0.05 -0.21 -1.58 0.50 0.00 0.00 175.29 173.96 3hmx s TRP 83 N -0.45 2.05 -0.15 1.67 0.51 -0.21 -1.54 118.94 120.82 3hmx s TRP 83 Ca -0.05 -0.41 0.14 0.00 -2.12 0.00 0.00 56.10 53.66 3hmx s TRP 83 Cb -0.03 -1.02 -0.20 0.00 -0.81 0.00 0.00 33.47 31.41 3hmx s TRP 83 CO 0.01 0.40 0.07 0.09 -0.51 0.00 0.00 176.95 177.01 3hmx n ASN 84 N 0.33 1.11 -3.43 2.95 3.02 -1.26 -2.66 115.26 115.33 3hmx n ASN 84 Ca -0.13 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.24 3hmx n ASN 84 Cb 0.56 0.93 -0.11 0.00 -0.61 0.00 0.00 39.78 40.55 3hmx n ASN 84 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3hmx s SER 85 N -4.89 1.71 0.37 6.41 0.15 -1.26 -3.72 113.70 112.47 3hmx s SER 85 Ca -0.08 -0.64 -0.26 0.00 0.70 0.00 0.00 55.95 55.67 3hmx s SER 85 Cb 0.05 0.43 -0.09 0.00 -1.71 0.00 0.00 66.02 64.70 3hmx s SER 85 CO 0.65 -0.38 1.11 -0.76 1.20 0.00 0.00 173.24 175.06 3hmx s LEU 86 N 2.34 4.26 0.33 3.45 1.43 -0.40 -4.74 118.68 125.35 3hmx s LEU 86 Ca 0.09 2.21 0.09 0.00 -1.03 0.00 0.00 54.13 55.48 3hmx s LEU 86 Cb -0.15 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.05 3hmx s LEU 86 CO -0.28 -0.47 0.10 -0.54 0.23 0.00 0.00 176.35 175.39 3hmx s LYS 87 N -2.16 2.32 0.28 1.70 1.02 -1.26 0.34 119.74 121.98 3hmx s LYS 87 Ca 0.54 -1.55 0.01 0.00 0.02 0.00 0.00 55.97 54.99 3hmx s LYS 87 Cb -0.28 -2.14 0.55 0.00 -0.52 0.00 0.00 37.83 35.45 3hmx s LYS 87 CO 0.35 0.16 1.83 0.00 -0.92 0.00 0.00 175.35 176.77 3hmx h ALA 88 N 1.64 1.50 0.00 5.17 0.00 -1.98 -1.87 119.26 123.73 3hmx h ALA 88 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hmx h ALA 88 Cb 1.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hmx h ALA 88 CO 0.63 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.96 3hmx n SER 89 N -4.64 0.57 0.19 0.00 3.41 -1.26 -2.05 113.62 109.84 3hmx n SER 89 Ca 0.19 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.64 3hmx n SER 89 Cb 0.36 -0.81 0.31 0.00 -0.26 0.00 0.00 64.21 63.82 3hmx n SER 89 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hmx h ASP 90 N 0.00 0.00 -2.34 4.04 3.45 -1.70 -3.45 116.42 116.42 3hmx h ASP 90 Ca 0.00 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.92 3hmx h ASP 90 Cb 0.14 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.92 3hmx h ASP 90 CO 0.00 0.00 1.27 0.42 -1.57 0.00 0.00 179.24 179.36 3hmx s THR 91 N -3.23 3.09 0.01 0.35 -4.23 -0.87 -4.89 115.64 105.87 3hmx s THR 91 Ca 0.07 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.68 3hmx s THR 91 Cb 0.08 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.84 3hmx s THR 91 CO 0.62 -0.02 0.06 0.00 -0.54 0.00 0.00 174.62 174.74 3hmx n ALA 92 N 8.34 -0.17 -2.72 3.99 0.00 -0.03 -4.54 120.51 125.38 3hmx n ALA 92 Ca 0.22 -0.06 -0.36 0.00 0.00 0.00 0.00 53.44 53.23 3hmx n ALA 92 Cb 0.42 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 3hmx n ALA 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3hmx s MET 93 N -2.00 4.13 -0.34 0.00 -2.45 -0.44 -0.32 119.30 117.88 3hmx s MET 93 Ca 0.01 0.06 -0.01 0.00 -1.25 0.00 0.00 55.69 54.51 3hmx s MET 93 Cb -0.00 -3.38 0.08 0.00 1.25 0.00 0.00 34.83 32.77 3hmx s MET 93 CO 0.00 0.35 0.07 0.71 1.05 0.00 0.00 175.02 177.20 3hmx s TYR 94 N 0.14 3.43 0.13 4.11 2.02 -0.72 -0.58 117.35 125.88 3hmx s TYR 94 Ca 0.16 -2.20 -0.18 0.00 -0.37 0.00 0.00 57.07 54.48 3hmx s TYR 94 Cb -0.13 -2.56 -0.07 0.00 -0.40 0.00 0.00 41.96 38.79 3hmx s TYR 94 CO 0.04 -0.88 0.61 0.71 -1.57 0.00 0.00 175.55 174.46 3hmx s TYR 95 N 1.17 3.73 -0.06 2.71 1.51 0.12 -1.72 117.35 124.81 3hmx s TYR 95 Ca 0.01 1.26 0.01 0.00 -1.01 0.00 0.00 57.07 57.34 3hmx s TYR 95 Cb -0.21 -2.50 -0.03 0.00 -0.11 0.00 0.00 41.96 39.11 3hmx s TYR 95 CO -0.03 0.49 -0.07 0.00 -1.11 0.00 0.00 175.55 174.83 3hmx s ALA 97 N -0.84 1.13 -0.20 0.00 0.00 0.19 0.59 121.76 122.63 3hmx s ALA 97 Ca 0.13 -1.47 -0.08 0.00 0.00 0.00 0.00 51.96 50.54 3hmx s ALA 97 Cb -0.11 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3hmx s ALA 97 CO 0.02 -0.31 0.07 0.50 0.00 0.00 0.00 175.76 176.05 3hmx s ARG 98 N -3.90 3.96 -0.40 0.00 3.52 0.05 -0.57 118.95 121.61 3hmx s ARG 98 Ca 0.19 -0.35 -0.22 0.00 -0.13 0.00 0.00 55.73 55.22 3hmx s ARG 98 Cb 0.06 -3.26 0.02 0.00 -1.56 0.00 0.00 34.95 30.20 3hmx s ARG 98 CO -0.00 0.21 0.71 0.50 -0.81 0.00 0.00 175.30 175.91 3hmx s ARG 99 N 0.57 3.54 -0.06 5.12 3.52 -0.11 0.10 118.95 131.62 3hmx s ARG 99 Ca 0.04 -0.02 -0.30 0.00 -0.13 0.00 0.00 55.73 55.32 3hmx s ARG 99 Cb -0.13 -3.88 -0.06 0.00 -1.56 0.00 0.00 34.95 29.33 3hmx s ARG 99 CO 0.01 -0.93 1.80 0.50 -0.81 0.00 0.00 175.30 175.87 3hmx s ARG 100 N 2.99 4.03 0.26 5.12 6.06 -0.12 -4.01 118.95 133.27 3hmx s ARG 100 Ca 0.27 2.24 -0.30 0.00 -2.50 0.00 0.00 55.73 55.44 3hmx s ARG 100 Cb -0.13 -4.08 -0.10 0.00 0.06 0.00 0.00 34.95 30.70 3hmx s ARG 100 CO 0.18 -1.05 1.31 -2.14 -2.50 0.00 0.00 175.30 171.10 3hmx s PRO 101 N 4.45 4.39 0.00 5.12 0.02 -1.26 -1.81 135.00 145.91 3hmx s PRO 101 Ca 0.80 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.94 3hmx s PRO 101 Cb -0.35 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.03 3hmx s PRO 101 CO 0.34 -0.21 0.00 0.41 -0.33 0.00 0.00 177.00 177.21 3hmx n GLY 102 N 1.71 0.49 2.01 0.52 0.00 -1.26 -4.84 105.19 103.82 3hmx n GLY 102 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3hmx n GLY 102 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hmx n GLN 103 N -2.84 0.00 0.00 1.61 1.13 -1.13 -5.08 117.38 111.07 3hmx n GLN 103 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3hmx n GLN 103 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3hmx n GLN 103 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hmx n GLY 104 N 0.65 1.63 3.97 1.08 0.00 -0.75 -5.08 105.19 106.69 3hmx n GLY 104 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3hmx n GLY 104 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hmx s TYR 105 N -1.97 1.27 -0.37 1.61 1.13 -1.26 -4.78 117.35 112.98 3hmx s TYR 105 Ca 0.00 -0.05 -0.18 0.00 -1.41 0.00 0.00 57.07 55.43 3hmx s TYR 105 Cb 0.00 -3.69 0.00 0.00 -1.10 0.00 0.00 41.96 37.17 3hmx s TYR 105 CO 0.00 -2.41 0.48 -0.06 -2.51 0.00 0.00 175.55 171.06 3hmx s PHE 106 N -3.62 3.17 0.07 -3.49 2.99 -1.26 -0.95 117.98 114.90 3hmx s PHE 106 Ca 0.73 0.03 -0.29 0.00 0.00 0.00 0.00 56.93 57.40 3hmx s PHE 106 Cb -0.03 -2.91 -0.17 0.00 0.00 0.00 0.00 43.02 39.91 3hmx s PHE 106 CO 0.50 -0.58 1.63 0.22 -0.00 0.00 0.00 175.22 176.99 3hmx h ASP 107 N 8.54 -0.46 -5.10 1.36 3.58 0.33 -3.47 116.42 121.21 3hmx h ASP 107 Ca -0.28 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.05 3hmx h ASP 107 Cb 1.12 0.12 -0.17 0.00 1.72 0.00 0.00 39.33 42.12 3hmx h ASP 107 CO 0.77 -0.30 -0.50 -0.36 -2.88 0.00 0.00 179.24 175.97 3hmx s PHE 108 N -5.96 0.20 0.12 0.28 0.08 -1.23 -4.98 117.98 106.48 3hmx s PHE 108 Ca -0.16 -0.52 0.09 0.00 0.12 0.00 0.00 56.93 56.47 3hmx s PHE 108 Cb 0.04 -0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.32 3hmx s PHE 108 CO 0.63 -0.39 -0.22 -1.58 -0.10 0.00 0.00 175.22 173.56 3hmx s TRP 109 N -2.78 1.90 0.91 0.36 0.52 -1.26 -0.77 118.94 117.83 3hmx s TRP 109 Ca -0.03 -0.41 -0.13 0.00 0.02 0.00 0.00 56.10 55.55 3hmx s TRP 109 Cb -0.00 -1.03 0.14 0.00 -1.15 0.00 0.00 33.47 31.43 3hmx s TRP 109 CO -0.05 0.25 1.14 0.20 0.02 0.00 0.00 176.95 178.51 3hmx s GLY 110 N -2.02 1.58 0.00 0.98 0.00 0.20 -4.51 107.32 103.55 3hmx s GLY 110 Ca 0.09 -0.56 0.27 0.00 0.00 0.00 0.00 44.72 44.52 3hmx s GLY 110 CO 0.05 0.01 1.85 0.61 0.00 0.00 0.00 173.10 175.61 3hmx n GLN 111 N -3.77 1.45 0.00 2.90 0.00 -1.25 -4.77 117.38 111.94 3hmx n GLN 111 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 57.00 56.41 3hmx n GLN 111 Cb 0.59 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.37 3hmx n GLN 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hmx n GLY 112 N 1.10 0.79 2.86 2.61 0.00 -1.26 -5.00 105.19 106.29 3hmx n GLY 112 Ca 0.20 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 3hmx n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hmx s THR 113 N -2.64 1.20 0.02 2.61 2.01 -0.70 -4.81 115.64 113.32 3hmx s THR 113 Ca 0.00 -1.09 -0.30 0.00 0.31 0.00 0.00 61.69 60.61 3hmx s THR 113 Cb 0.00 -1.59 -0.07 0.00 0.01 0.00 0.00 72.50 70.85 3hmx s THR 113 CO 0.00 -0.20 1.55 -0.22 -0.69 0.00 0.00 174.62 175.06 3hmx s LEU 114 N 1.53 4.34 -0.14 4.42 2.96 -1.26 -1.76 118.68 128.76 3hmx s LEU 114 Ca -0.02 2.29 0.02 0.00 -0.22 0.00 0.00 54.13 56.20 3hmx s LEU 114 Cb -0.18 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 42.97 3hmx s LEU 114 CO -0.08 -0.83 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.23 3hmx s VAL 115 N 2.79 1.89 -0.18 1.68 1.01 0.57 -1.08 120.40 127.07 3hmx s VAL 115 Ca 0.70 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3hmx s VAL 115 Cb -0.35 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3hmx s VAL 115 CO 0.29 0.51 -0.13 -0.89 0.00 0.00 0.00 175.10 174.89 3hmx s THR 116 N 1.05 2.69 -0.30 3.92 2.01 -0.79 -0.85 115.64 123.37 3hmx s THR 116 Ca -0.02 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 3hmx s THR 116 Cb -0.14 -2.17 0.05 0.00 0.01 0.00 0.00 72.50 70.24 3hmx s THR 116 CO -0.06 0.49 0.00 -0.69 -0.69 0.00 0.00 174.62 173.68 3hmx s VAL 117 N 1.19 3.07 0.04 3.82 1.01 -1.26 -0.13 120.40 128.14 3hmx s VAL 117 Ca 0.02 -1.31 -0.09 0.00 0.00 0.00 0.00 61.98 60.60 3hmx s VAL 117 Cb -0.14 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3hmx s VAL 117 CO -0.06 -0.08 0.17 -0.55 0.00 0.00 0.00 175.10 174.59 3hmx s SER 118 N 1.28 0.06 -0.01 3.32 0.15 -0.42 -4.54 113.70 113.54 3hmx s SER 118 Ca -0.04 -0.39 0.03 0.00 0.70 0.00 0.00 55.95 56.25 3hmx s SER 118 Cb -0.19 0.27 0.10 0.00 -1.71 0.00 0.00 66.02 64.49 3hmx s SER 118 CO -0.01 -0.54 0.98 -1.54 1.20 0.00 0.00 173.24 173.33 3hmx n SER 119 N 0.74 0.81 -4.83 5.45 3.41 -1.26 -3.96 113.62 113.99 3hmx n SER 119 Ca -0.19 -2.03 -0.37 0.00 -0.26 0.00 0.00 58.87 56.02 3hmx n SER 119 Cb 0.59 -0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 3hmx n SER 119 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hmx s SER 120 N -0.79 6.89 0.29 4.04 0.01 -1.26 -5.07 113.70 117.81 3hmx s SER 120 Ca 0.07 1.08 -0.04 0.00 1.31 0.00 0.00 55.95 58.37 3hmx s SER 120 Cb 0.04 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 3hmx s SER 120 CO 0.04 0.25 0.55 -0.44 0.41 0.00 0.00 173.24 174.05 3hmx s SER 121 N -1.27 6.43 0.34 2.44 0.01 -1.26 -4.94 113.70 115.43 3hmx s SER 121 Ca 0.29 0.68 -0.29 0.00 1.31 0.00 0.00 55.95 57.94 3hmx s SER 121 Cb -0.17 -2.13 -0.12 0.00 0.21 0.00 0.00 66.02 63.81 3hmx s SER 121 CO 0.17 -0.20 1.44 0.41 0.41 0.00 0.00 173.24 175.46 3hmx n THR 122 N -1.01 1.70 -3.67 1.44 -1.04 -1.26 -4.77 114.28 105.66 3hmx n THR 122 Ca -0.02 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.05 61.44 3hmx n THR 122 Cb 0.54 -1.79 -0.09 0.00 -1.82 0.00 0.00 70.33 67.17 3hmx n THR 122 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3hmx s LYS 123 N -1.55 0.64 0.88 -2.82 2.20 0.86 -4.94 119.74 115.01 3hmx s LYS 123 Ca 0.58 0.86 -0.12 0.00 -0.36 0.00 0.00 55.97 56.93 3hmx s LYS 123 Cb -0.53 0.26 0.12 0.00 -1.51 0.00 0.00 37.83 36.16 3hmx s LYS 123 CO 0.59 -0.10 1.10 0.20 -0.36 0.00 0.00 175.35 176.78 3hmx s GLY 124 N 0.64 1.61 0.46 5.54 0.00 -1.26 -1.17 107.32 113.13 3hmx s GLY 124 Ca -0.03 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.50 3hmx s GLY 124 CO -0.04 0.28 0.67 2.56 0.00 0.00 0.00 173.10 176.56 3hmx s PRO 125 N -5.07 2.90 -0.15 2.90 0.04 -1.26 -4.44 135.00 129.92 3hmx s PRO 125 Ca 0.63 -0.71 -0.07 0.00 0.04 0.00 0.00 61.00 60.89 3hmx s PRO 125 Cb -0.16 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 3hmx s PRO 125 CO 0.56 -0.35 0.11 -1.12 0.04 0.00 0.00 177.00 176.23 3hmx s SER 126 N -4.28 6.06 -0.17 6.66 0.01 -0.32 -4.94 113.70 116.72 3hmx s SER 126 Ca 0.51 0.30 -0.04 0.00 1.31 0.00 0.00 55.95 58.03 3hmx s SER 126 Cb -0.10 -1.98 -0.02 0.00 0.21 0.00 0.00 66.02 64.12 3hmx s SER 126 CO 0.37 0.31 -0.04 -0.69 0.41 0.00 0.00 173.24 173.60 3hmx s VAL 127 N -0.41 3.81 0.10 3.43 1.01 -1.26 -1.46 120.40 125.63 3hmx s VAL 127 Ca 0.11 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.78 3hmx s VAL 127 Cb -0.12 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3hmx s VAL 127 CO 0.02 0.48 -0.18 -0.36 0.00 0.00 0.00 175.10 175.05 3hmx s PHE 128 N 0.57 1.60 0.41 5.22 0.08 -0.73 -4.97 117.98 120.17 3hmx s PHE 128 Ca -0.03 -0.45 -0.16 0.00 0.12 0.00 0.00 56.93 56.41 3hmx s PHE 128 Cb -0.14 -0.87 -0.09 0.00 -0.57 0.00 0.00 43.02 41.35 3hmx s PHE 128 CO 0.03 0.18 0.86 -2.14 -0.10 0.00 0.00 175.22 174.04 3hmx s PRO 129 N -2.07 4.01 -0.71 0.24 0.02 -1.26 0.17 135.00 135.40 3hmx s PRO 129 Ca 0.06 0.83 0.05 0.00 0.02 0.00 0.00 61.00 61.95 3hmx s PRO 129 Cb -0.09 -2.28 0.19 0.00 0.02 0.00 0.00 34.50 32.33 3hmx s PRO 129 CO 0.04 -0.03 0.56 1.28 -0.33 0.00 0.00 177.00 178.51 3hmx n LEU 130 N -0.89 3.23 -4.77 -5.54 4.77 0.31 -4.76 117.00 109.36 3hmx n LEU 130 Ca 0.05 -5.25 -0.40 0.00 -0.03 0.00 0.00 56.01 50.38 3hmx n LEU 130 Cb 0.54 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3hmx n LEU 130 CO 0.42 1.80 1.04 0.00 -1.33 0.00 0.00 177.39 179.32 3hmx s ALA 131 N -1.65 3.32 0.31 -1.18 0.00 -1.26 -2.83 121.76 118.48 3hmx s ALA 131 Ca 0.27 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 53.35 3hmx s ALA 131 Cb -0.01 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 3hmx s ALA 131 CO -0.14 -1.02 1.36 -2.14 0.00 0.00 0.00 175.76 173.81 3hmx s PRO 132 N -2.28 4.31 0.00 0.00 0.02 -1.25 -4.94 135.00 130.86 3hmx s PRO 132 Ca 0.58 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.86 3hmx s PRO 132 Cb -0.42 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.02 3hmx s PRO 132 CO 0.55 -0.28 0.00 -1.13 -0.33 0.00 0.00 177.00 175.81 3hmx n SER 133 N 1.23 0.00 -3.17 2.53 3.41 -1.26 -4.52 113.62 111.83 3hmx n SER 133 Ca 0.02 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.66 3hmx n SER 133 Cb 0.41 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 3hmx n SER 133 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hmx s SER 134 N -1.26 -1.22 -0.39 4.04 0.01 -1.26 -4.80 113.70 108.82 3hmx s SER 134 Ca 0.00 0.81 0.12 0.00 1.31 0.00 0.00 55.95 58.19 3hmx s SER 134 Cb 0.00 2.06 0.39 0.00 0.21 0.00 0.00 66.02 68.68 3hmx s SER 134 CO 0.00 -0.26 0.87 0.29 0.41 0.00 0.00 173.24 174.55 3hmx n LYS 135 N 5.42 1.63 -1.84 12.44 4.01 -1.26 -5.19 118.16 133.37 3hmx n LYS 135 Ca -0.01 -3.69 -0.21 0.00 -0.51 0.00 0.00 58.31 53.89 3hmx n LYS 135 Cb 0.51 -1.70 -0.06 0.00 -0.51 0.00 0.00 35.03 33.26 3hmx n LYS 135 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3hmx s SER 136 N -2.92 4.55 0.00 4.39 0.01 -1.26 -4.71 113.70 113.77 3hmx s SER 136 Ca 0.38 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.20 3hmx s SER 136 Cb 0.38 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 64.05 3hmx s SER 136 CO -0.06 -3.31 0.00 0.61 0.41 0.00 0.00 173.24 170.89 3hmx n GLY 140 N 6.76 -0.39 2.87 3.44 0.00 -1.26 -5.10 105.19 111.50 3hmx n GLY 140 Ca 0.43 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 3hmx n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hmx s THR 141 N -1.66 -0.43 0.28 2.61 2.01 -1.26 -1.69 115.64 115.50 3hmx s THR 141 Ca 0.00 0.01 0.11 0.00 0.31 0.00 0.00 61.69 62.11 3hmx s THR 141 Cb 0.00 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.81 3hmx s THR 141 CO 0.00 -0.09 -0.09 0.00 -0.69 0.00 0.00 174.62 173.75 3hmx s ALA 142 N 2.41 2.98 0.22 7.40 0.00 0.92 -4.77 121.76 130.91 3hmx s ALA 142 Ca 0.07 -1.77 0.10 0.00 0.00 0.00 0.00 51.96 50.35 3hmx s ALA 142 Cb -0.15 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3hmx s ALA 142 CO -0.12 0.26 -0.10 0.00 0.00 0.00 0.00 175.76 175.80 3hmx s ALA 143 N -2.42 2.92 0.26 0.00 0.00 -1.26 -1.31 121.76 119.95 3hmx s ALA 143 Ca 0.31 -1.60 -0.20 0.00 0.00 0.00 0.00 51.96 50.47 3hmx s ALA 143 Cb -0.05 -0.63 0.07 0.00 0.00 0.00 0.00 23.12 22.51 3hmx s ALA 143 CO 0.18 0.38 0.94 -0.48 0.00 0.00 0.00 175.76 176.78 3hmx s LEU 144 N -3.13 -0.02 0.00 0.00 2.34 -0.95 -3.86 118.68 113.06 3hmx s LEU 144 Ca 0.27 -0.82 0.00 0.00 0.06 0.00 0.00 54.13 53.64 3hmx s LEU 144 Cb -0.07 2.38 0.00 0.00 -0.56 0.00 0.00 46.19 47.93 3hmx s LEU 144 CO 0.16 -1.24 0.00 0.61 -1.06 0.00 0.00 176.35 174.82 3hmx n GLY 145 N -0.62 0.03 3.69 -3.48 0.00 -1.13 -0.12 105.19 103.56 3hmx n GLY 145 Ca -0.05 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 3hmx n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmx s LEU 147 N -0.29 4.79 -0.43 0.00 2.96 0.13 -1.66 118.68 124.17 3hmx s LEU 147 Ca 0.08 -0.62 -0.20 0.00 -0.22 0.00 0.00 54.13 53.18 3hmx s LEU 147 Cb -0.12 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.10 3hmx s LEU 147 CO 0.02 -0.68 0.57 -0.69 -1.32 0.00 0.00 176.35 174.25 3hmx s VAL 148 N 2.39 4.92 -0.01 1.68 1.01 -0.58 -1.78 120.40 128.03 3hmx s VAL 148 Ca 0.15 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.14 3hmx s VAL 148 Cb -0.17 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 3hmx s VAL 148 CO 0.15 -0.53 -0.12 -0.75 0.00 0.00 0.00 175.10 173.85 3hmx s LYS 149 N 2.59 0.98 -0.43 2.72 2.20 -0.53 -0.13 119.74 127.15 3hmx s LYS 149 Ca 0.19 -0.42 -0.00 0.00 -0.36 0.00 0.00 55.97 55.38 3hmx s LYS 149 Cb -0.15 -0.95 0.00 0.00 -1.51 0.00 0.00 37.83 35.22 3hmx s LYS 149 CO 0.17 0.25 0.41 -0.25 -0.36 0.00 0.00 175.35 175.56 3hmx n ASP 150 N 2.83 -5.40 -4.18 1.43 8.00 -0.49 -1.17 116.55 117.57 3hmx n ASP 150 Ca -0.14 -0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.22 3hmx n ASP 150 Cb 0.56 -3.53 -0.10 0.00 -0.02 0.00 0.00 41.12 38.03 3hmx n ASP 150 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hmx s TYR 151 N -2.96 1.00 -0.28 1.24 1.13 -0.87 -4.15 117.35 112.46 3hmx s TYR 151 Ca 0.01 -1.24 -0.18 0.00 -1.41 0.00 0.00 57.07 54.25 3hmx s TYR 151 Cb -0.00 -0.54 0.12 0.00 -1.10 0.00 0.00 41.96 40.43 3hmx s TYR 151 CO 0.44 -0.50 0.89 0.12 -2.51 0.00 0.00 175.55 173.99 3hmx s PHE 152 N -4.01 -0.71 0.00 -3.49 2.19 -0.32 -0.49 117.98 111.15 3hmx s PHE 152 Ca 0.28 1.47 0.00 0.00 0.33 0.00 0.00 56.93 59.01 3hmx s PHE 152 Cb 0.07 0.43 0.00 0.00 -1.31 0.00 0.00 43.02 42.21 3hmx s PHE 152 CO 0.05 -0.35 0.00 -0.35 1.83 0.00 0.00 175.22 176.40 3hmx n PRO 153 N 3.60 2.49 -2.20 10.12 -0.04 -1.26 -0.10 135.00 147.61 3hmx n PRO 153 Ca -0.18 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.00 3hmx n PRO 153 Cb 0.58 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.06 3hmx n PRO 153 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hmx s GLU 154 N 1.89 3.07 0.13 0.54 2.02 -1.26 -4.77 118.70 120.33 3hmx s GLU 154 Ca 0.00 0.27 -0.00 0.00 0.02 0.00 0.00 54.97 55.26 3hmx s GLU 154 Cb 0.00 -2.18 0.03 0.00 0.10 0.00 0.00 34.13 32.08 3hmx s GLU 154 CO 0.00 -0.72 0.18 -0.35 0.02 0.00 0.00 175.26 174.39 3hmx n PRO 155 N -2.70 0.48 -3.75 0.39 -0.05 -1.26 -5.03 135.00 123.09 3hmx n PRO 155 Ca 0.05 -0.49 -0.13 0.00 -0.05 0.00 0.00 63.50 62.87 3hmx n PRO 155 Cb 0.57 -0.12 -0.09 0.00 -0.05 0.00 0.00 33.50 33.81 3hmx n PRO 155 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3hmx s VAL 156 N -0.38 0.04 0.04 0.52 0.11 -1.26 -4.64 120.40 114.84 3hmx s VAL 156 Ca 0.12 -0.35 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 3hmx s VAL 156 Cb -0.01 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 3hmx s VAL 156 CO 0.08 -0.19 0.00 -0.89 -3.33 0.00 0.00 175.10 170.77 3hmx s THR 157 N -1.00 4.11 -0.14 5.04 2.01 0.17 -4.97 115.64 120.86 3hmx s THR 157 Ca -0.11 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 3hmx s THR 157 Cb -0.04 -2.89 0.07 0.00 0.01 0.00 0.00 72.50 69.65 3hmx s THR 157 CO 0.04 0.27 0.22 -0.69 -0.69 0.00 0.00 174.62 173.76 3hmx s VAL 158 N -1.19 -0.34 0.42 3.82 1.01 -1.26 -1.42 120.40 121.46 3hmx s VAL 158 Ca 0.22 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.42 3hmx s VAL 158 Cb -0.12 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 3hmx s VAL 158 CO 0.14 0.03 0.06 -0.94 0.00 0.00 0.00 175.10 174.39 3hmx s SER 159 N 2.35 3.28 -0.02 3.32 1.04 -0.85 -4.95 113.70 117.87 3hmx s SER 159 Ca 0.04 -1.57 0.05 0.00 0.48 0.00 0.00 55.95 54.95 3hmx s SER 159 Cb -0.13 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 3hmx s SER 159 CO -0.09 -0.78 -0.18 0.26 0.98 0.00 0.00 173.24 173.44 3hmx s TRP 160 N -3.05 1.64 -1.35 5.02 0.52 -1.25 0.39 118.94 120.85 3hmx s TRP 160 Ca 0.22 -0.37 -0.03 0.00 0.02 0.00 0.00 56.10 55.94 3hmx s TRP 160 Cb 0.05 -1.07 -0.00 0.00 -1.15 0.00 0.00 33.47 31.29 3hmx s TRP 160 CO 0.12 -0.08 0.52 0.09 0.02 0.00 0.00 176.95 177.61 3hmx n ASN 161 N 2.82 -1.19 -1.40 2.95 5.03 0.11 -1.02 115.26 122.55 3hmx n ASN 161 Ca -0.16 -0.98 -0.17 0.00 0.87 0.00 0.00 54.58 54.14 3hmx n ASN 161 Cb 0.53 -3.24 -0.07 0.00 -1.02 0.00 0.00 39.78 35.98 3hmx n ASN 161 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3hmx n SER 162 N -2.94 -4.95 0.00 6.41 7.64 -1.26 -0.80 113.62 117.71 3hmx n SER 162 Ca -0.28 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.02 3hmx n SER 162 Cb 0.67 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 59.59 3hmx n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hmx n GLY 163 N -0.23 0.84 0.22 0.23 0.00 -0.19 -4.97 105.19 101.09 3hmx n GLY 163 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 3hmx n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmx h ALA 164 N 0.00 0.42 -2.91 4.61 0.00 -0.42 -3.43 119.26 117.52 3hmx h ALA 164 Ca 0.00 -0.45 -0.64 0.00 0.00 0.00 0.00 54.91 53.82 3hmx h ALA 164 Cb 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 17.53 3hmx h ALA 164 CO 0.00 0.51 -0.54 -1.17 0.00 0.00 0.00 179.25 178.05 3hmx s LEU 165 N -8.85 3.89 0.19 0.00 2.96 -0.86 -4.89 118.68 111.12 3hmx s LEU 165 Ca -0.12 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 3hmx s LEU 165 Cb 0.09 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.70 3hmx s LEU 165 CO 0.85 -0.05 0.00 0.35 -1.32 0.00 0.00 176.35 176.18 3hmx n THR 166 N 5.03 0.28 -1.53 3.68 -2.24 -1.26 -3.85 114.28 114.38 3hmx n THR 166 Ca -0.14 0.09 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 3hmx n THR 166 Cb 0.52 -0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 67.85 3hmx n THR 166 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hmx n SER 167 N -3.32 1.25 0.00 3.42 3.41 -1.26 -0.35 113.62 116.77 3hmx n SER 167 Ca 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 3hmx n SER 167 Cb 0.03 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 62.69 3hmx n SER 167 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hmx n GLY 168 N 6.23 1.40 3.75 5.00 0.00 -1.26 -4.90 105.19 115.41 3hmx n GLY 168 Ca 0.50 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 3hmx n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hmx s VAL 169 N -1.59 3.28 -0.37 1.61 1.01 0.52 -3.28 120.40 121.59 3hmx s VAL 169 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.15 3hmx s VAL 169 Cb 0.00 -3.74 0.12 0.00 0.00 0.00 0.00 36.38 32.76 3hmx s VAL 169 CO 0.00 0.23 0.17 -1.00 0.00 0.00 0.00 175.10 174.50 3hmx s HIS 170 N -0.54 1.55 -0.48 5.22 3.76 -0.09 -5.00 115.29 119.72 3hmx s HIS 170 Ca 0.51 -1.93 -0.22 0.00 -0.15 0.00 0.00 55.06 53.27 3hmx s HIS 170 Cb -0.35 -1.59 0.03 0.00 1.11 0.00 0.00 32.58 31.79 3hmx s HIS 170 CO 0.42 -0.83 0.73 0.99 -0.85 0.00 0.00 174.74 175.19 3hmx s THR 171 N 1.06 4.72 0.64 1.30 2.01 -1.26 -1.58 115.64 122.52 3hmx s THR 171 Ca 0.14 0.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.07 3hmx s THR 171 Cb -0.21 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 3hmx s THR 171 CO -0.11 -0.76 1.12 -0.36 -0.69 0.00 0.00 174.62 173.81 3hmx s PHE 172 N 3.09 2.61 0.31 4.92 0.40 -0.11 -4.97 117.98 124.23 3hmx s PHE 172 Ca 0.24 1.55 -0.29 0.00 -0.60 0.00 0.00 56.93 57.83 3hmx s PHE 172 Cb -0.14 -3.20 -0.12 0.00 0.51 0.00 0.00 43.02 40.06 3hmx s PHE 172 CO 0.18 -1.70 1.44 -2.30 0.70 0.00 0.00 175.22 173.54 3hmx n PRO 173 N -2.20 2.36 -0.73 0.24 -0.02 -1.26 -4.52 135.00 128.86 3hmx n PRO 173 Ca 0.11 0.83 -0.29 0.00 -2.02 0.00 0.00 63.50 62.13 3hmx n PRO 173 Cb 0.52 -2.52 0.21 0.00 -0.02 0.00 0.00 33.50 31.69 3hmx n PRO 173 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hmx s ALA 174 N -0.55 0.37 -0.06 3.55 0.00 -1.26 -4.82 121.76 118.99 3hmx s ALA 174 Ca 0.60 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.60 3hmx s ALA 174 Cb -0.55 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.32 3hmx s ALA 174 CO 0.56 -3.30 -0.07 0.08 0.00 0.00 0.00 175.76 173.03 3hmx s VAL 175 N -2.62 0.75 -0.58 0.00 1.01 0.65 -4.93 120.40 114.68 3hmx s VAL 175 Ca 0.67 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 3hmx s VAL 175 Cb -0.23 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3hmx s VAL 175 CO 0.61 0.28 1.56 -0.22 0.00 0.00 0.00 175.10 177.34 3hmx s LEU 176 N 1.05 3.35 0.79 3.92 2.96 -1.26 -2.20 118.68 127.30 3hmx s LEU 176 Ca -0.08 0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 54.02 3hmx s LEU 176 Cb -0.14 -2.88 0.07 0.00 0.50 0.00 0.00 46.19 43.74 3hmx s LEU 176 CO -0.00 -1.92 1.10 -1.10 -1.32 0.00 0.00 176.35 173.10 3hmx s GLN 177 N 5.99 2.07 0.37 1.98 -0.21 0.23 -4.91 119.66 125.19 3hmx s GLN 177 Ca 0.57 1.22 0.27 0.00 0.02 0.00 0.00 55.36 57.44 3hmx s GLN 177 Cb -0.12 -1.87 1.22 0.00 1.00 0.00 0.00 33.01 33.24 3hmx s GLN 177 CO 0.23 -1.79 1.82 0.66 -2.12 0.00 0.00 175.29 174.09 3hmx h SER 178 N -1.24 0.00 0.34 5.90 4.64 -1.94 -0.95 113.55 120.30 3hmx h SER 178 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3hmx h SER 178 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hmx h SER 178 CO 0.50 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.92 3hmx n SER 179 N -2.50 0.00 0.00 4.97 3.41 -1.26 -4.85 113.62 113.39 3hmx n SER 179 Ca 0.01 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3hmx n SER 179 Cb 0.20 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3hmx n SER 179 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hmx n GLY 180 N 0.70 1.25 3.93 5.00 0.00 -0.36 -5.02 105.19 110.68 3hmx n GLY 180 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3hmx n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hmx s LEU 181 N 0.00 4.29 0.54 0.99 1.43 -1.25 -4.86 118.68 119.82 3hmx s LEU 181 Ca 0.00 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3hmx s LEU 181 Cb 0.00 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.36 3hmx s LEU 181 CO 0.00 0.08 0.79 -0.31 0.23 0.00 0.00 176.35 177.14 3hmx s TYR 182 N -1.69 3.12 -0.28 0.29 1.51 0.35 -0.60 117.35 120.05 3hmx s TYR 182 Ca 0.34 0.31 -0.20 0.00 -1.01 0.00 0.00 57.07 56.51 3hmx s TYR 182 Cb -0.11 -2.62 0.12 0.00 -0.11 0.00 0.00 41.96 39.24 3hmx s TYR 182 CO 0.28 -0.71 0.91 0.45 -1.11 0.00 0.00 175.55 175.38 3hmx s SER 183 N -4.32 -0.60 0.37 2.29 0.15 -0.93 -1.39 113.70 109.27 3hmx s SER 183 Ca 0.53 1.04 0.06 0.00 0.70 0.00 0.00 55.95 58.28 3hmx s SER 183 Cb -0.10 1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 65.34 3hmx s SER 183 CO 0.41 -0.17 0.20 0.00 1.20 0.00 0.00 173.24 174.88 3hmx n LEU 184 N 3.14 0.00 -3.78 3.45 -0.00 0.82 -0.26 117.00 120.37 3hmx n LEU 184 Ca -0.16 -3.13 -0.14 0.00 -0.00 0.00 0.00 56.01 52.58 3hmx n LEU 184 Cb 0.57 1.31 -0.14 0.00 -0.00 0.00 0.00 43.42 45.15 3hmx n LEU 184 CO 0.02 -0.50 -0.28 -0.55 -0.00 0.00 0.00 177.39 176.08 3hmx s SER 185 N -3.42 -0.05 -0.16 1.45 0.15 -1.26 -1.52 113.70 108.89 3hmx s SER 185 Ca 0.29 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.13 3hmx s SER 185 Cb 0.01 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.45 3hmx s SER 185 CO 0.20 -0.11 -0.16 -0.55 1.20 0.00 0.00 173.24 173.83 3hmx s SER 186 N 0.80 2.79 0.39 5.45 0.15 -0.66 -0.93 113.70 121.68 3hmx s SER 186 Ca -0.06 -0.52 0.07 0.00 0.70 0.00 0.00 55.95 56.14 3hmx s SER 186 Cb -0.09 -1.25 -0.08 0.00 -1.71 0.00 0.00 66.02 62.90 3hmx s SER 186 CO -0.03 -0.04 -0.01 0.68 1.20 0.00 0.00 173.24 175.04 3hmx s VAL 187 N 1.44 2.01 -0.03 4.45 -7.23 -0.62 -1.22 120.40 119.20 3hmx s VAL 187 Ca 0.05 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.13 3hmx s VAL 187 Cb -0.13 -2.93 0.01 0.00 0.56 0.00 0.00 36.38 33.89 3hmx s VAL 187 CO -0.11 -0.04 0.13 0.68 -0.31 0.00 0.00 175.10 175.45 3hmx s VAL 188 N -2.72 0.03 -0.27 1.32 -7.23 0.83 -0.91 120.40 111.44 3hmx s VAL 188 Ca 0.35 -0.22 -0.07 0.00 -1.81 0.00 0.00 61.98 60.23 3hmx s VAL 188 Cb 0.09 -0.26 -0.01 0.00 0.56 0.00 0.00 36.38 36.76 3hmx s VAL 188 CO 0.18 -0.12 0.06 0.42 -0.31 0.00 0.00 175.10 175.32 3hmx s THR 189 N -0.38 4.00 0.31 5.32 -4.23 -1.21 -2.24 115.64 117.22 3hmx s THR 189 Ca -0.05 -0.49 0.05 0.00 -1.18 0.00 0.00 61.69 60.03 3hmx s THR 189 Cb -0.03 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.78 3hmx s THR 189 CO 0.00 0.21 -0.00 0.68 -0.54 0.00 0.00 174.62 174.97 3hmx s VAL 190 N 1.54 1.50 0.28 2.29 -7.23 -0.42 -4.86 120.40 113.50 3hmx s VAL 190 Ca 0.04 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 57.86 3hmx s VAL 190 Cb -0.16 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.04 3hmx s VAL 190 CO 0.02 -0.15 1.03 -2.84 -0.31 0.00 0.00 175.10 172.85 3hmx s PRO 191 N -3.79 4.67 0.01 4.82 0.02 -1.26 -0.06 135.00 139.41 3hmx s PRO 191 Ca 0.33 1.63 0.01 0.00 0.02 0.00 0.00 61.00 62.99 3hmx s PRO 191 Cb 0.06 -3.14 0.05 0.00 0.02 0.00 0.00 34.50 31.50 3hmx s PRO 191 CO 0.14 0.29 0.98 0.43 -0.33 0.00 0.00 177.00 178.52 3hmx n SER 192 N 1.14 0.02 -0.52 2.53 7.64 -0.68 -2.19 113.62 121.55 3hmx n SER 192 Ca -0.01 0.47 0.13 0.00 1.01 0.00 0.00 58.87 60.47 3hmx n SER 192 Cb 0.46 -0.47 0.48 0.00 -1.01 0.00 0.00 64.21 63.67 3hmx n SER 192 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hmx n SER 193 N -1.49 1.62 -0.33 6.43 7.64 -1.26 -3.77 113.62 122.46 3hmx n SER 193 Ca -0.00 -1.56 0.08 0.00 1.01 0.00 0.00 58.87 58.40 3hmx n SER 193 Cb 0.05 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.22 3hmx n SER 193 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hmx n SER 194 N 0.27 1.53 -4.62 6.43 3.41 -0.93 -4.80 113.62 114.91 3hmx n SER 194 Ca 0.18 -1.27 -0.43 0.00 -0.26 0.00 0.00 58.87 57.10 3hmx n SER 194 Cb 0.37 0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 64.81 3hmx n SER 194 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hmx s LEU 195 N -2.08 3.72 0.00 1.04 1.43 -1.25 -2.65 118.68 118.90 3hmx s LEU 195 Ca 0.12 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 3hmx s LEU 195 Cb 0.13 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.81 3hmx s LEU 195 CO 0.42 -1.38 0.00 0.61 0.23 0.00 0.00 176.35 176.23 3hmx n GLY 196 N 4.90 1.93 0.00 -3.19 0.00 -1.26 -4.96 105.19 102.60 3hmx n GLY 196 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3hmx n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hmx n THR 197 N 0.00 0.00 -3.47 2.61 -2.24 -1.08 -4.75 114.28 105.34 3hmx n THR 197 Ca 0.00 0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.58 3hmx n THR 197 Cb 0.00 -0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 67.43 3hmx n THR 197 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3hmx s GLN 198 N -0.45 2.79 1.02 -0.78 1.11 -1.20 -5.08 119.66 117.07 3hmx s GLN 198 Ca 0.00 -1.92 -0.15 0.00 0.01 0.00 0.00 55.36 53.29 3hmx s GLN 198 Cb 0.00 -4.08 0.06 0.00 -1.01 0.00 0.00 33.01 27.97 3hmx s GLN 198 CO 0.00 -1.24 0.20 0.25 0.01 0.00 0.00 175.29 174.51 3hmx n THR 199 N 4.73 0.00 -4.84 -0.19 -2.24 -1.26 -4.88 114.28 105.60 3hmx n THR 199 Ca -0.05 -0.24 -0.27 0.00 -2.27 0.00 0.00 64.05 61.22 3hmx n THR 199 Cb 0.41 -0.59 -0.16 0.00 -2.10 0.00 0.00 70.33 67.89 3hmx n THR 199 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3hmx s TYR 200 N -2.32 1.82 -0.06 4.78 2.02 -1.26 -5.01 117.35 117.33 3hmx s TYR 200 Ca 0.56 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.63 3hmx s TYR 200 Cb -0.17 -1.26 0.02 0.00 -0.40 0.00 0.00 41.96 40.15 3hmx s TYR 200 CO 0.67 -0.26 -0.06 0.96 -1.57 0.00 0.00 175.55 175.30 3hmx s ILE 201 N 0.32 0.69 -0.10 2.71 -5.25 -1.26 -1.00 121.20 117.30 3hmx s ILE 201 Ca -0.11 -0.17 -0.19 0.00 -0.99 0.00 0.00 60.65 59.19 3hmx s ILE 201 Cb -0.14 -0.71 -0.04 0.00 2.95 0.00 0.00 42.46 44.51 3hmx s ILE 201 CO 0.04 0.27 0.52 0.00 -1.79 0.00 0.00 174.94 173.99 3hmx s ASN 203 N 0.59 6.06 -0.20 0.00 0.01 0.16 -2.66 114.94 118.90 3hmx s ASN 203 Ca 0.28 -1.16 -0.09 0.00 -0.71 0.00 0.00 52.86 51.18 3hmx s ASN 203 Cb -0.16 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.31 3hmx s ASN 203 CO 0.12 -0.55 0.12 -0.69 -1.51 0.00 0.00 177.10 174.59 3hmx s VAL 204 N 1.63 5.24 -0.12 1.60 1.01 0.43 -2.00 120.40 128.19 3hmx s VAL 204 Ca 0.04 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 3hmx s VAL 204 Cb -0.22 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.81 3hmx s VAL 204 CO 0.08 0.44 -0.02 0.21 0.00 0.00 0.00 175.10 175.80 3hmx s ASN 205 N 0.43 2.21 -0.55 3.32 2.47 -0.50 -0.47 114.94 121.85 3hmx s ASN 205 Ca 0.07 -0.39 0.03 0.00 0.42 0.00 0.00 52.86 52.99 3hmx s ASN 205 Cb -0.12 -0.64 0.14 0.00 -1.45 0.00 0.00 41.25 39.18 3hmx s ASN 205 CO -0.01 -0.20 0.30 -2.28 -3.72 0.00 0.00 177.10 171.19 3hmx s HIS 206 N 1.83 3.23 0.27 0.43 5.65 -0.35 -0.65 115.29 125.70 3hmx s HIS 206 Ca 0.03 -3.09 -0.00 0.00 0.25 0.00 0.00 55.06 52.24 3hmx s HIS 206 Cb -0.14 -2.89 0.52 0.00 -1.18 0.00 0.00 32.58 28.89 3hmx s HIS 206 CO -0.07 -0.76 1.81 0.87 -0.65 0.00 0.00 174.74 175.95 3hmx h LYS 207 N 6.57 0.83 0.00 2.88 1.57 -1.82 -2.58 116.57 124.02 3hmx h LYS 207 Ca -0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3hmx h LYS 207 Cb 0.90 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3hmx h LYS 207 CO 0.70 0.55 0.00 -2.30 -0.57 0.00 0.00 179.45 177.82 3hmx n PRO 208 N -4.71 0.00 -1.04 3.15 -0.02 -1.26 -1.84 135.00 129.27 3hmx n PRO 208 Ca 0.18 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.61 3hmx n PRO 208 Cb 0.37 -1.03 -0.04 0.00 -0.02 0.00 0.00 33.50 32.78 3hmx n PRO 208 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hmx n SER 209 N -0.41 -0.79 0.00 2.55 3.41 -0.97 -4.83 113.62 112.58 3hmx n SER 209 Ca 0.00 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.06 3hmx n SER 209 Cb 0.00 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3hmx n SER 209 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hmx n ASN 210 N -0.13 0.00 -4.68 4.04 3.02 -0.77 -4.87 115.26 111.87 3hmx n ASN 210 Ca -0.20 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.92 3hmx n ASN 210 Cb 0.61 -1.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.14 3hmx n ASN 210 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hmx s THR 211 N -1.13 3.55 -0.07 3.41 2.01 -1.21 -4.93 115.64 117.27 3hmx s THR 211 Ca 0.00 0.85 0.02 0.00 0.31 0.00 0.00 61.69 62.87 3hmx s THR 211 Cb 0.00 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.97 3hmx s THR 211 CO 0.00 -0.03 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.01 3hmx s LYS 212 N 3.11 1.88 -0.03 4.92 2.20 -1.26 -1.21 119.74 129.35 3hmx s LYS 212 Ca 0.69 -0.47 0.05 0.00 -0.36 0.00 0.00 55.97 55.88 3hmx s LYS 212 Cb -0.33 -1.52 -0.01 0.00 -1.51 0.00 0.00 37.83 34.46 3hmx s LYS 212 CO 0.28 0.05 -0.18 0.08 -0.36 0.00 0.00 175.35 175.22 3hmx s VAL 213 N 0.62 1.45 -0.38 4.02 1.01 0.37 -5.00 120.40 122.50 3hmx s VAL 213 Ca -0.15 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3hmx s VAL 213 Cb -0.16 -1.23 0.11 0.00 0.00 0.00 0.00 36.38 35.10 3hmx s VAL 213 CO 0.04 0.41 0.13 -1.81 0.00 0.00 0.00 175.10 173.88 3hmx s ASP 214 N -0.21 4.33 -0.17 3.32 -0.00 -1.26 -0.43 116.67 122.25 3hmx s ASP 214 Ca 0.02 -2.27 -0.11 0.00 -0.00 0.00 0.00 52.55 50.20 3hmx s ASP 214 Cb -0.09 -1.35 -0.05 0.00 -0.00 0.00 0.00 42.92 41.43 3hmx s ASP 214 CO 0.01 -0.34 0.18 -0.54 -0.00 0.00 0.00 175.17 174.47 3hmx s LYS 215 N 0.77 4.06 -0.00 8.23 -0.14 -1.09 -4.94 119.74 126.63 3hmx s LYS 215 Ca 0.13 -0.11 -0.18 0.00 -1.36 0.00 0.00 55.97 54.45 3hmx s LYS 215 Cb -0.21 -3.37 -0.06 0.00 -1.68 0.00 0.00 37.83 32.51 3hmx s LYS 215 CO -0.09 0.38 0.52 0.50 -0.76 0.00 0.00 175.35 175.90 3hmx s ARG 216 N 0.09 4.19 -0.17 1.68 3.52 -1.26 -1.45 118.95 125.55 3hmx s ARG 216 Ca 0.12 0.61 -0.04 0.00 -0.13 0.00 0.00 55.73 56.29 3hmx s ARG 216 Cb -0.12 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.95 3hmx s ARG 216 CO 0.01 0.49 -0.04 0.08 -0.81 0.00 0.00 175.30 175.04 3hmx s VAL 217 N -0.54 3.82 0.05 7.11 1.01 -0.17 -4.91 120.40 126.77 3hmx s VAL 217 Ca 0.28 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3hmx s VAL 217 Cb -0.18 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3hmx s VAL 217 CO 0.16 0.48 0.01 -1.61 0.00 0.00 0.00 175.10 174.13 3hmx s GLU 218 N 0.55 0.59 0.79 2.72 2.02 -1.26 -4.26 118.70 119.85 3hmx s GLU 218 Ca -0.03 -1.07 -0.13 0.00 0.02 0.00 0.00 54.97 53.76 3hmx s GLU 218 Cb -0.14 0.21 0.19 0.00 0.10 0.00 0.00 34.13 34.49 3hmx s GLU 218 CO 0.03 -0.12 0.75 -2.30 0.02 0.00 0.00 175.26 173.64 3hmx n PRO 219 N 0.35 -2.16 0.00 0.39 -0.02 -1.26 -4.55 135.00 127.75 3hmx n PRO 219 Ca -0.16 -1.20 0.00 0.00 -2.02 0.00 0.00 63.50 60.13 3hmx n PRO 219 Cb 0.60 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 3hmx n PRO 219 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84