#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ih2 s LEU 2 N 0.00 3.95 0.90 2.39 1.43 -1.26 -5.30 118.68 120.80 3ih2 s LEU 2 Ca 0.00 1.57 -0.10 0.00 -1.03 0.00 0.00 54.13 54.57 3ih2 s LEU 2 Cb 0.00 -4.42 0.14 0.00 0.03 0.00 0.00 46.19 41.94 3ih2 s LEU 2 CO 0.00 -0.33 1.14 -0.94 0.23 0.00 0.00 176.35 176.45 3ih2 s SER 3 N -2.26 3.07 0.41 2.29 1.04 -1.26 -4.77 113.70 112.22 3ih2 s SER 3 Ca 0.60 2.15 0.08 0.00 0.48 0.00 0.00 55.95 59.25 3ih2 s SER 3 Cb -0.09 -2.56 0.87 0.00 0.10 0.00 0.00 66.02 64.33 3ih2 s SER 3 CO 0.15 -3.00 2.03 0.11 0.98 0.00 0.00 173.24 173.51 3ih2 h LYS 4 N -1.80 0.44 -0.23 4.02 1.79 -2.00 -0.60 116.57 118.19 3ih2 h LYS 4 Ca -0.43 -0.04 -0.17 0.00 -2.18 0.00 0.00 60.65 57.82 3ih2 h LYS 4 Cb 1.26 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3ih2 h LYS 4 CO 0.43 0.34 -0.53 -0.09 -1.08 0.00 0.00 179.45 178.52 3ih2 h ARG 5 N 0.45 0.76 0.00 3.15 2.43 -1.99 -1.90 114.38 117.28 3ih2 h ARG 5 Ca 0.12 -0.52 -0.11 0.00 -0.81 0.00 0.00 59.98 58.66 3ih2 h ARG 5 Cb 0.04 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3ih2 h ARG 5 CO -0.02 1.14 -0.52 -0.44 -1.51 0.00 0.00 179.97 178.62 3ih2 h ASP 6 N 0.50 0.00 -0.42 -3.80 3.32 -1.84 -0.08 116.42 114.10 3ih2 h ASP 6 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3ih2 h ASP 6 Cb 1.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3ih2 h ASP 6 CO 0.12 0.52 -0.05 0.00 -1.72 0.00 0.00 179.24 178.10 3ih2 h ALA 7 N 1.48 0.57 -0.10 3.45 0.00 -0.96 -1.92 119.26 121.79 3ih2 h ALA 7 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3ih2 h ALA 7 Cb 0.93 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3ih2 h ALA 7 CO 0.07 0.41 0.03 0.82 0.00 0.00 0.00 179.25 180.57 3ih2 h ILE 8 N 0.61 1.19 -0.67 0.00 2.04 -1.20 -2.07 117.51 117.41 3ih2 h ILE 8 Ca 0.11 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.48 3ih2 h ILE 8 Cb 0.56 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 3ih2 h ILE 8 CO 0.03 0.17 0.44 -0.07 0.00 0.00 0.00 178.15 178.72 3ih2 h LEU 9 N -0.04 0.50 -0.04 1.44 3.38 -0.99 -0.08 115.31 119.48 3ih2 h LEU 9 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ih2 h LEU 9 Cb 0.24 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ih2 h LEU 9 CO -0.00 0.31 -0.11 0.50 0.09 0.00 0.00 178.44 179.23 3ih2 h LYS 10 N 0.56 0.14 -0.56 1.13 3.64 -1.24 -1.11 116.57 119.14 3ih2 h LYS 10 Ca 0.30 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 3ih2 h LYS 10 Cb 0.44 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 3ih2 h LYS 10 CO -0.10 0.72 0.25 0.00 -2.27 0.00 0.00 179.45 178.05 3ih2 h ALA 11 N 0.42 0.72 0.31 5.00 0.00 -1.34 -2.32 119.26 122.05 3ih2 h ALA 11 Ca -0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ih2 h ALA 11 Cb 0.73 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3ih2 h ALA 11 CO 0.02 -0.12 -0.28 0.00 0.00 0.00 0.00 179.25 178.87 3ih2 h ALA 12 N 1.33 -0.61 -0.82 0.00 0.00 -0.98 0.68 119.26 118.86 3ih2 h ALA 12 Ca 0.26 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.27 3ih2 h ALA 12 Cb 0.23 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 18.29 3ih2 h ALA 12 CO -0.22 -0.87 0.18 0.28 0.00 0.00 0.00 179.25 178.62 3ih2 h VAL 13 N -0.61 0.38 -0.22 0.00 2.07 -1.15 0.28 116.25 117.00 3ih2 h VAL 13 Ca -0.02 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3ih2 h VAL 13 Cb 0.55 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3ih2 h VAL 13 CO -0.04 0.04 -0.04 -0.33 0.02 0.00 0.00 177.57 177.22 3ih2 h GLU 14 N 0.21 0.42 0.10 1.57 5.08 -1.00 -2.15 114.58 118.81 3ih2 h GLU 14 Ca 0.49 -0.15 -0.29 0.00 -1.00 0.00 0.00 59.36 58.40 3ih2 h GLU 14 Cb 0.92 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 30.17 3ih2 h GLU 14 CO -0.61 0.65 -1.20 0.28 -1.00 0.00 0.00 179.01 177.12 3ih2 h VAL 15 N 0.16 1.30 0.12 3.13 2.07 -0.43 -1.18 116.25 121.42 3ih2 h VAL 15 Ca 0.06 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.12 3ih2 h VAL 15 Cb 0.48 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 3ih2 h VAL 15 CO 0.02 0.75 -0.06 -0.26 0.02 0.00 0.00 177.57 178.04 3ih2 h PHE 16 N 0.29 -0.15 -0.66 1.57 0.04 -0.57 0.52 116.94 117.97 3ih2 h PHE 16 Ca -0.17 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.67 3ih2 h PHE 16 Cb 1.87 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 40.03 3ih2 h PHE 16 CO 0.11 -0.05 0.43 0.78 -0.60 0.00 0.00 178.31 178.98 3ih2 h GLY 17 N -0.21 0.80 0.90 -1.45 0.00 -1.44 0.40 103.07 102.06 3ih2 h GLY 17 Ca -0.02 -0.25 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 3ih2 h GLY 17 CO 0.03 0.18 -0.60 0.50 0.00 0.00 0.00 176.54 176.64 3ih2 h LYS 18 N 0.61 0.53 0.00 4.80 1.57 -0.88 -3.41 116.57 119.79 3ih2 h LYS 18 Ca 0.29 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3ih2 h LYS 18 Cb 0.34 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3ih2 h LYS 18 CO -0.09 1.11 -1.49 1.63 -0.57 0.00 0.00 179.45 180.04 3ih2 n LYS 19 N -4.17 0.35 0.00 3.15 5.02 0.15 -5.08 118.16 117.58 3ih2 n LYS 19 Ca -0.09 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 3ih2 n LYS 19 Cb 0.66 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 3ih2 n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ih2 n GLY 20 N 1.91 -0.63 0.19 0.72 0.00 0.14 -4.37 105.19 103.15 3ih2 n GLY 20 Ca -0.02 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 3ih2 n GLY 20 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ih2 h TYR 21 N 0.00 0.72 -0.17 1.61 3.20 -1.88 -2.75 116.97 117.69 3ih2 h TYR 21 Ca 0.00 -0.20 -0.15 0.00 3.14 0.00 0.00 58.73 61.51 3ih2 h TYR 21 Cb 0.00 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.12 3ih2 h TYR 21 CO 0.00 0.90 -0.50 -0.44 -1.64 0.00 0.00 178.16 176.48 3ih2 h ASP 22 N 0.33 0.73 0.92 -2.11 3.32 -1.90 -3.30 116.42 114.41 3ih2 h ASP 22 Ca 0.05 -0.59 -0.20 0.00 0.02 0.00 0.00 57.03 56.31 3ih2 h ASP 22 Cb 0.75 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3ih2 h ASP 22 CO 0.05 1.19 -0.97 0.03 -1.72 0.00 0.00 179.24 177.83 3ih2 h ARG 23 N 0.31 0.03 -6.93 3.56 3.08 -1.76 -3.45 114.38 109.21 3ih2 h ARG 23 Ca -0.01 -0.04 -0.54 0.00 0.07 0.00 0.00 59.98 59.46 3ih2 h ARG 23 Cb 1.12 0.01 0.10 0.00 0.08 0.00 0.00 29.97 31.28 3ih2 h ARG 23 CO 0.11 0.97 0.77 0.00 -1.07 0.00 0.00 179.97 180.74 3ih2 s ALA 24 N -2.83 3.57 0.07 0.04 0.00 -1.04 -5.01 121.76 116.56 3ih2 s ALA 24 Ca 0.00 1.54 0.06 0.00 0.00 0.00 0.00 51.96 53.56 3ih2 s ALA 24 Cb 0.10 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3ih2 s ALA 24 CO 0.82 -1.01 -0.10 0.95 0.00 0.00 0.00 175.76 176.42 3ih2 s THR 25 N -1.09 3.38 0.15 0.00 -4.23 -1.26 -4.98 115.64 107.60 3ih2 s THR 25 Ca 0.53 -1.11 0.19 0.00 -1.18 0.00 0.00 61.69 60.12 3ih2 s THR 25 Cb -0.46 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 70.99 3ih2 s THR 25 CO 0.62 0.23 1.72 0.71 -0.54 0.00 0.00 174.62 177.35 3ih2 h THR 26 N 3.49 0.87 -0.32 3.99 1.35 -1.98 -2.59 112.91 117.72 3ih2 h THR 26 Ca -0.48 -1.55 -0.01 0.00 -0.55 0.00 0.00 66.41 63.81 3ih2 h THR 26 Cb 1.16 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.52 3ih2 h THR 26 CO 0.52 0.37 0.16 0.44 -0.25 0.00 0.00 175.52 176.76 3ih2 h ASP 27 N 0.00 0.41 -0.31 5.36 3.32 -1.95 -0.42 116.42 122.83 3ih2 h ASP 27 Ca -0.00 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 3ih2 h ASP 27 Cb 0.92 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 3ih2 h ASP 27 CO 0.05 0.41 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.85 3ih2 h GLU 28 N 0.38 0.70 -0.56 3.56 4.81 -1.95 0.43 114.58 121.95 3ih2 h GLU 28 Ca 0.11 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3ih2 h GLU 28 Cb 0.10 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3ih2 h GLU 28 CO -0.02 0.75 0.06 0.82 -0.73 0.00 0.00 179.01 179.89 3ih2 h ILE 29 N 0.65 1.26 -0.57 2.32 2.04 -1.39 -1.57 117.51 120.25 3ih2 h ILE 29 Ca 0.12 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 3ih2 h ILE 29 Cb 0.48 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3ih2 h ILE 29 CO 0.02 0.37 0.15 0.00 0.00 0.00 0.00 178.15 178.70 3ih2 h ALA 30 N 0.99 0.75 -0.34 1.87 0.00 -0.61 -0.18 119.26 121.73 3ih2 h ALA 30 Ca 0.17 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3ih2 h ALA 30 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ih2 h ALA 30 CO 0.02 0.44 -0.28 1.05 0.00 0.00 0.00 179.25 180.48 3ih2 h GLU 31 N 0.81 0.71 -0.24 0.00 9.09 -0.91 0.44 114.58 124.47 3ih2 h GLU 31 Ca 0.18 -0.31 -0.09 0.00 0.05 0.00 0.00 59.36 59.19 3ih2 h GLU 31 Cb 0.33 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 3ih2 h GLU 31 CO -0.00 0.91 -0.24 -0.22 0.05 0.00 0.00 179.01 179.50 3ih2 h LYS 32 N 0.61 0.45 0.00 1.06 3.64 -1.11 -2.73 116.57 118.49 3ih2 h LYS 32 Ca 0.08 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3ih2 h LYS 32 Cb 0.78 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3ih2 h LYS 32 CO 0.06 0.67 -0.22 0.00 -2.27 0.00 0.00 179.45 177.69 3ih2 n ALA 33 N -2.48 2.66 -2.90 5.00 0.00 -0.09 -4.91 120.51 117.78 3ih2 n ALA 33 Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 3ih2 n ALA 33 Cb 0.40 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.55 3ih2 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ih2 n GLY 34 N 1.41 0.06 3.10 0.00 0.00 0.03 -4.84 105.19 104.96 3ih2 n GLY 34 Ca 0.06 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 3ih2 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ih2 s VAL 35 N -3.19 0.80 0.49 1.61 -7.23 -0.53 -5.04 120.40 107.30 3ih2 s VAL 35 Ca 0.12 -1.09 -0.22 0.00 -1.81 0.00 0.00 61.98 58.98 3ih2 s VAL 35 Cb -0.05 -0.80 -0.09 0.00 0.56 0.00 0.00 36.38 36.00 3ih2 s VAL 35 CO 0.40 -0.24 0.95 0.00 -0.31 0.00 0.00 175.10 175.89 3ih2 n ALA 36 N 1.56 0.07 -0.13 1.32 0.00 -1.26 -4.38 120.51 117.69 3ih2 n ALA 36 Ca -0.21 0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 3ih2 n ALA 36 Cb 0.55 -2.07 0.04 0.00 0.00 0.00 0.00 19.45 17.97 3ih2 n ALA 36 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ih2 h LYS 37 N 1.12 0.24 -0.91 0.00 1.57 -1.94 -1.34 116.57 115.30 3ih2 h LYS 37 Ca -0.46 -0.01 0.38 0.00 -1.87 0.00 0.00 60.65 58.69 3ih2 h LYS 37 Cb 1.35 -0.05 -0.16 0.00 0.08 0.00 0.00 32.23 33.44 3ih2 h LYS 37 CO 0.54 0.16 0.48 0.41 -0.57 0.00 0.00 179.45 180.47 3ih2 n GLY 38 N -1.25 -0.70 0.29 3.86 0.00 -1.26 -2.55 105.19 103.58 3ih2 n GLY 38 Ca 0.03 0.74 0.15 0.00 0.00 0.00 0.00 46.02 46.94 3ih2 n GLY 38 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ih2 h LEU 39 N 0.00 0.00 -0.11 0.99 3.38 -1.59 -2.41 115.31 115.57 3ih2 h LEU 39 Ca 0.77 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.66 3ih2 h LEU 39 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 3ih2 h LEU 39 CO -0.71 0.06 -0.22 0.40 0.09 0.00 0.00 178.44 178.06 3ih2 h ILE 40 N 0.00 1.39 -0.45 1.22 2.04 -1.66 -2.48 117.51 117.57 3ih2 h ILE 40 Ca -0.00 -1.51 0.09 0.00 1.00 0.00 0.00 64.86 64.44 3ih2 h ILE 40 Cb 0.19 2.10 -0.08 0.00 -0.74 0.00 0.00 36.82 38.30 3ih2 h ILE 40 CO 0.01 0.44 -0.03 0.15 0.00 0.00 0.00 178.15 178.72 3ih2 h PHE 41 N -0.09 -0.08 -0.22 1.37 3.57 -1.62 0.60 116.94 120.47 3ih2 h PHE 41 Ca 0.00 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3ih2 h PHE 41 Cb 0.82 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.60 3ih2 h PHE 41 CO 0.11 -0.12 -0.14 1.25 -2.23 0.00 0.00 178.31 177.17 3ih2 h HIS 42 N 0.08 -0.36 0.25 0.41 2.76 -1.31 0.13 115.15 117.10 3ih2 h HIS 42 Ca 0.22 0.03 -0.33 0.00 -2.20 0.00 0.00 60.37 58.09 3ih2 h HIS 42 Cb 0.33 0.19 0.04 0.00 1.55 0.00 0.00 27.41 29.52 3ih2 h HIS 42 CO -0.32 -0.21 -1.47 1.88 -1.30 0.00 0.00 177.93 176.51 3ih2 h TYR 43 N -0.14 0.95 -0.00 5.26 -1.99 -1.25 -3.41 116.97 116.39 3ih2 h TYR 43 Ca 0.12 -0.69 0.00 0.00 2.00 0.00 0.00 58.73 60.16 3ih2 h TYR 43 Cb 0.32 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.02 3ih2 h TYR 43 CO -0.30 1.55 -0.06 1.19 -0.00 0.00 0.00 178.16 180.53 3ih2 n PHE 44 N -3.70 0.00 0.00 4.88 3.01 0.21 -5.04 117.46 116.82 3ih2 n PHE 44 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 3ih2 n PHE 44 Cb 1.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.57 3ih2 n PHE 44 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3ih2 n LYS 45 N -0.20 0.00 -4.01 -1.08 0.00 0.43 -4.24 118.16 109.07 3ih2 n LYS 45 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.18 3ih2 n LYS 45 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.09 3ih2 n LYS 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 3ih2 n ASN 46 N 2.67 -1.43 0.05 3.14 0.23 -1.26 -4.80 115.26 113.86 3ih2 n ASN 46 Ca 0.00 -2.91 -0.07 0.00 -0.53 0.00 0.00 54.58 51.06 3ih2 n ASN 46 Cb 0.00 2.65 0.08 0.00 -2.08 0.00 0.00 39.78 40.43 3ih2 n ASN 46 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3ih2 h LYS 47 N 0.00 0.37 -0.42 -3.83 3.64 -1.98 -2.57 116.57 111.77 3ih2 h LYS 47 Ca -0.28 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 3ih2 h LYS 47 Cb 1.21 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 3ih2 h LYS 47 CO 0.38 0.86 0.21 1.49 -2.27 0.00 0.00 179.45 180.12 3ih2 h GLU 48 N 0.27 0.60 -0.59 1.90 4.81 -1.97 -1.95 114.58 117.65 3ih2 h GLU 48 Ca -0.01 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 3ih2 h GLU 48 Cb 1.14 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3ih2 h GLU 48 CO 0.10 0.51 0.12 1.49 -0.73 0.00 0.00 179.01 180.50 3ih2 h GLU 49 N 0.54 0.96 -0.02 1.92 4.57 -1.80 -0.62 114.58 120.12 3ih2 h GLU 49 Ca 0.14 -0.24 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 3ih2 h GLU 49 Cb 0.10 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3ih2 h GLU 49 CO -0.02 0.89 -0.10 1.25 -1.18 0.00 0.00 179.01 179.85 3ih2 h LEU 50 N 0.86 -0.29 -0.50 1.64 5.85 -1.42 -0.42 115.31 121.03 3ih2 h LEU 50 Ca 0.18 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.02 3ih2 h LEU 50 Cb 0.38 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 3ih2 h LEU 50 CO 0.01 -0.14 0.18 0.22 -0.34 0.00 0.00 178.44 178.36 3ih2 h TYR 51 N -0.16 0.31 -0.36 1.25 3.20 -1.22 -1.42 116.97 118.57 3ih2 h TYR 51 Ca 0.04 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3ih2 h TYR 51 Cb 0.22 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3ih2 h TYR 51 CO -0.17 0.10 0.10 -0.92 -1.64 0.00 0.00 178.16 175.63 3ih2 h TYR 52 N 0.36 0.60 -0.56 -3.82 3.20 -0.90 -2.13 116.97 113.72 3ih2 h TYR 52 Ca 0.24 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 3ih2 h TYR 52 Cb 0.26 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3ih2 h TYR 52 CO -0.16 0.59 0.01 0.37 -1.64 0.00 0.00 178.16 177.33 3ih2 h GLN 53 N 0.44 0.98 -0.60 1.82 5.75 -0.98 -3.03 115.11 119.49 3ih2 h GLN 53 Ca 0.11 -0.31 -0.04 0.00 -0.15 0.00 0.00 58.65 58.27 3ih2 h GLN 53 Cb 0.29 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 3ih2 h GLN 53 CO -0.00 0.98 0.22 0.00 -2.65 0.00 0.00 178.83 177.38 3ih2 h ALA 54 N 0.97 1.25 0.00 3.38 0.00 -1.24 0.16 119.26 123.78 3ih2 h ALA 54 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ih2 h ALA 54 Cb 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ih2 h ALA 54 CO 0.03 0.54 0.00 0.98 0.00 0.00 0.00 179.25 180.80 3ih2 n TYR 55 N -4.30 0.00 0.00 0.00 9.36 -0.81 -1.80 117.16 119.61 3ih2 n TYR 55 Ca 0.05 -0.10 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3ih2 n TYR 55 Cb 0.18 -0.10 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 3ih2 n TYR 55 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3ih2 n SER 57 N 0.58 0.00 -0.03 2.98 2.88 0.56 -1.71 113.62 118.89 3ih2 n SER 57 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3ih2 n SER 57 Cb 0.14 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 3ih2 n SER 57 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3ih2 h VAL 58 N 0.00 1.30 0.00 2.46 2.07 -1.61 -3.10 116.25 117.36 3ih2 h VAL 58 Ca 0.00 -1.85 -0.13 0.00 0.82 0.00 0.00 66.70 65.54 3ih2 h VAL 58 Cb 0.00 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3ih2 h VAL 58 CO 0.00 0.59 -0.64 0.00 0.02 0.00 0.00 177.57 177.53 3ih2 h THR 59 N 0.54 1.38 0.00 2.57 1.03 -1.58 -2.33 112.91 114.51 3ih2 h THR 59 Ca -0.01 -2.26 -0.08 0.00 -0.01 0.00 0.00 66.41 64.05 3ih2 h THR 59 Cb 1.21 2.25 -0.01 0.00 -1.07 0.00 0.00 68.15 70.53 3ih2 h THR 59 CO 0.13 0.63 -0.40 -0.08 -0.01 0.00 0.00 175.52 175.78 3ih2 h GLU 60 N 0.00 0.00 -0.23 0.00 4.81 -1.80 0.14 114.58 117.50 3ih2 h GLU 60 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3ih2 h GLU 60 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3ih2 h GLU 60 CO 0.08 0.40 0.02 0.87 -0.73 0.00 0.00 179.01 179.66 3ih2 h LYS 61 N 0.00 0.38 0.20 1.92 1.57 -1.41 -2.87 116.57 116.35 3ih2 h LYS 61 Ca -0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3ih2 h LYS 61 Cb 0.93 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3ih2 h LYS 61 CO 0.05 0.54 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.31 3ih2 h LEU 62 N 0.17 -0.22 -1.50 2.94 3.38 -1.17 -2.33 115.31 116.57 3ih2 h LEU 62 Ca 0.07 -0.09 0.28 0.00 0.09 0.00 0.00 57.88 58.22 3ih2 h LEU 62 Cb 0.35 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 3ih2 h LEU 62 CO 0.01 -0.05 0.70 -0.61 0.09 0.00 0.00 178.44 178.58 3ih2 h GLN 63 N -0.39 0.30 0.03 1.13 5.75 -0.81 0.79 115.11 121.92 3ih2 h GLN 63 Ca -0.03 -0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.30 3ih2 h GLN 63 Cb 0.30 -0.07 0.01 0.00 1.07 0.00 0.00 27.48 28.80 3ih2 h GLN 63 CO 0.04 0.20 -0.64 0.87 -2.65 0.00 0.00 178.83 176.65 3ih2 h LYS 64 N 0.31 0.37 -0.66 1.69 1.79 -1.27 -0.47 116.57 118.34 3ih2 h LYS 64 Ca 0.58 -0.44 0.14 0.00 -2.18 0.00 0.00 60.65 58.74 3ih2 h LYS 64 Cb 1.64 0.14 -0.12 0.00 -1.58 0.00 0.00 32.23 32.31 3ih2 h LYS 64 CO -0.23 1.13 -0.06 0.93 -1.08 0.00 0.00 179.45 180.13 3ih2 h GLU 65 N -0.19 0.06 -0.05 3.15 4.39 -0.79 -2.22 114.58 118.93 3ih2 h GLU 65 Ca -0.09 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 3ih2 h GLU 65 Cb 1.38 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.01 3ih2 h GLU 65 CO 0.12 0.04 0.03 0.35 -1.16 0.00 0.00 179.01 178.39 3ih2 h PHE 66 N 0.06 0.07 -0.90 4.33 3.57 -0.59 -2.01 116.94 121.48 3ih2 h PHE 66 Ca 0.34 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.86 3ih2 h PHE 66 Cb 0.55 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 3ih2 h PHE 66 CO -0.44 0.14 0.59 0.93 -2.23 0.00 0.00 178.31 177.30 3ih2 h GLU 67 N -0.02 1.12 -0.22 1.11 5.08 -0.97 0.24 114.58 120.91 3ih2 h GLU 67 Ca 0.02 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3ih2 h GLU 67 Cb 0.10 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 3ih2 h GLU 67 CO -0.00 0.74 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.83 3ih2 h ASN 68 N 1.15 -0.10 -0.27 1.42 2.35 -1.07 -2.99 115.58 116.07 3ih2 h ASN 68 Ca 0.35 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 56.12 3ih2 h ASN 68 Cb -0.02 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3ih2 h ASN 68 CO -0.10 -0.02 0.03 0.15 -1.65 0.00 0.00 177.43 175.84 3ih2 h PHE 69 N 0.06 0.50 0.00 1.19 3.57 -0.66 -3.08 116.94 118.52 3ih2 h PHE 69 Ca 0.11 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3ih2 h PHE 69 Cb 0.14 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3ih2 h PHE 69 CO -0.19 0.58 0.00 -0.11 -2.23 0.00 0.00 178.31 176.36 3ih2 n LEU 70 N -4.64 0.00 0.00 0.59 7.94 0.78 -1.35 117.00 120.32 3ih2 n LEU 70 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3ih2 n LEU 70 Cb 0.22 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.17 3ih2 n LEU 70 CO 0.38 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.83 3ih2 n LYS 72 N 0.49 0.00 -0.13 1.96 4.81 -1.17 -0.61 118.16 123.51 3ih2 n LYS 72 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 3ih2 n LYS 72 Cb 0.00 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.33 3ih2 n LYS 72 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ih2 n ASN 73 N 0.00 2.64 -0.23 3.14 3.02 -0.46 -4.57 115.26 118.80 3ih2 n ASN 73 Ca 0.00 -1.87 0.20 0.00 -0.03 0.00 0.00 54.58 52.88 3ih2 n ASN 73 Cb 0.00 -0.17 0.37 0.00 -0.61 0.00 0.00 39.78 39.38 3ih2 n ASN 73 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3ih2 n ARG 74 N 0.97 -0.04 -0.02 3.52 0.63 0.22 -1.67 116.66 120.27 3ih2 n ARG 74 Ca 0.18 0.98 0.13 0.00 -0.92 0.00 0.00 57.85 58.22 3ih2 n ARG 74 Cb 0.49 -1.72 0.55 0.00 0.45 0.00 0.00 32.46 32.22 3ih2 n ARG 74 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3ih2 n ASN 75 N -4.65 1.27 -4.83 6.15 3.02 -1.26 -4.93 115.26 110.03 3ih2 n ASN 75 Ca 0.25 -1.48 -0.30 0.00 -0.03 0.00 0.00 54.58 53.02 3ih2 n ASN 75 Cb 0.83 -0.02 0.08 0.00 -0.61 0.00 0.00 39.78 40.06 3ih2 n ASN 75 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3ih2 s ARG 76 N -1.95 2.19 0.32 3.52 0.52 -0.67 -5.00 118.95 117.87 3ih2 s ARG 76 Ca 0.38 0.49 -0.29 0.00 -0.52 0.00 0.00 55.73 55.79 3ih2 s ARG 76 Cb 0.20 -1.94 -0.10 0.00 0.52 0.00 0.00 34.95 33.62 3ih2 s ARG 76 CO 0.32 -1.51 1.32 0.34 0.02 0.00 0.00 175.30 175.79 3ih2 s ASP 77 N -4.12 6.75 0.32 0.23 2.15 -1.26 -4.83 116.67 115.91 3ih2 s ASP 77 Ca 0.60 2.69 0.02 0.00 0.43 0.00 0.00 52.55 56.29 3ih2 s ASP 77 Cb -0.13 -2.65 0.55 0.00 -0.30 0.00 0.00 42.92 40.40 3ih2 s ASP 77 CO 0.53 -0.56 1.90 -0.29 -0.17 0.00 0.00 175.17 176.57 3ih2 h ILE 78 N 3.11 1.19 -0.45 4.11 6.09 -1.94 0.41 117.51 130.03 3ih2 h ILE 78 Ca -0.49 -0.66 -0.08 0.00 -1.37 0.00 0.00 64.86 62.26 3ih2 h ILE 78 Cb 1.23 0.68 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 3ih2 h ILE 78 CO 0.67 0.25 -0.04 -0.26 -3.07 0.00 0.00 178.15 175.69 3ih2 h PHE 79 N 0.68 0.90 -0.39 2.19 -1.00 -1.97 -2.99 116.94 114.37 3ih2 h PHE 79 Ca 0.16 -0.17 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 3ih2 h PHE 79 Cb 0.21 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 3ih2 h PHE 79 CO 0.01 0.89 0.21 0.22 -1.61 0.00 0.00 178.31 178.03 3ih2 h ASP 80 N 0.66 0.49 0.00 2.17 3.58 -1.73 -1.06 116.42 120.52 3ih2 h ASP 80 Ca 0.12 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3ih2 h ASP 80 Cb 0.56 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.49 3ih2 h ASP 80 CO 0.03 0.44 0.00 0.33 -2.88 0.00 0.00 179.24 177.16 3ih2 n PHE 81 N -4.74 0.00 0.00 0.28 7.35 0.14 -1.85 117.46 118.63 3ih2 n PHE 81 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3ih2 n PHE 81 Cb 0.08 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.91 3ih2 n PHE 81 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3ih2 n GLU 83 N -0.21 0.00 0.09 -4.13 1.02 -0.40 -0.60 120.64 116.40 3ih2 n GLU 83 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3ih2 n GLU 83 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 3ih2 n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ih2 h ARG 84 N 0.00 0.14 -0.42 3.49 3.08 -1.62 -2.33 114.38 116.72 3ih2 h ARG 84 Ca 0.00 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 3ih2 h ARG 84 Cb 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3ih2 h ARG 84 CO 0.00 0.87 -0.28 2.35 -1.07 0.00 0.00 179.97 181.83 3ih2 h TRP 85 N 0.09 1.07 -0.60 3.04 -0.00 -1.09 -3.03 115.95 115.43 3ih2 h TRP 85 Ca -0.03 -0.28 -0.07 0.00 -0.00 0.00 0.00 58.89 58.51 3ih2 h TRP 85 Cb 1.40 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 30.29 3ih2 h TRP 85 CO 0.02 1.09 0.09 0.82 -0.00 0.00 0.00 178.44 180.45 3ih2 h ILE 86 N 0.78 1.26 -0.33 2.65 2.04 -1.75 -1.44 117.51 120.71 3ih2 h ILE 86 Ca 0.09 -1.01 0.07 0.00 1.00 0.00 0.00 64.86 65.00 3ih2 h ILE 86 Cb 0.85 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3ih2 h ILE 86 CO 0.08 0.37 -0.08 -0.08 0.00 0.00 0.00 178.15 178.43 3ih2 h GLU 87 N 0.90 -0.00 -0.99 2.37 4.81 -1.50 -0.74 114.58 119.43 3ih2 h GLU 87 Ca 0.18 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3ih2 h GLU 87 Cb 0.44 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 3ih2 h GLU 87 CO 0.01 -0.00 0.65 0.87 -0.73 0.00 0.00 179.01 179.81 3ih2 h LYS 88 N -0.00 1.25 -0.42 1.92 1.79 -1.34 -1.03 116.57 118.73 3ih2 h LYS 88 Ca 0.16 -0.08 -0.10 0.00 -2.18 0.00 0.00 60.65 58.45 3ih2 h LYS 88 Cb 0.25 -0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 3ih2 h LYS 88 CO -0.34 0.83 -0.14 0.87 -1.08 0.00 0.00 179.45 179.58 3ih2 h LYS 89 N 1.29 0.78 0.38 3.15 1.57 -0.76 -0.69 116.57 122.30 3ih2 h LYS 89 Ca 0.38 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3ih2 h LYS 89 Cb -0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3ih2 h LYS 89 CO -0.10 0.88 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.37 3ih2 h LEU 90 N 0.70 -0.54 -0.67 2.94 3.38 -0.82 -0.68 115.31 119.63 3ih2 h LEU 90 Ca 0.11 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.18 3ih2 h LEU 90 Cb 0.63 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 3ih2 h LEU 90 CO 0.04 -0.36 0.36 -0.33 0.09 0.00 0.00 178.44 178.25 3ih2 h GLU 91 N -0.57 0.63 -0.27 1.13 5.08 -1.16 -1.72 114.58 117.70 3ih2 h GLU 91 Ca -0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ih2 h GLU 91 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3ih2 h GLU 91 CO 0.06 0.41 0.17 -0.92 -1.00 0.00 0.00 179.01 177.73 3ih2 h TYR 92 N 0.65 0.33 -0.84 4.33 3.20 -0.93 -2.29 116.97 121.42 3ih2 h TYR 92 Ca 0.31 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.24 3ih2 h TYR 92 Cb 0.24 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 3ih2 h TYR 92 CO -0.09 0.20 0.55 0.77 -1.64 0.00 0.00 178.16 177.95 3ih2 h SER 93 N 0.35 0.85 0.15 -2.11 0.02 -0.84 0.19 113.55 112.17 3ih2 h SER 93 Ca 0.10 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.90 3ih2 h SER 93 Cb -0.04 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3ih2 h SER 93 CO -0.03 0.56 -0.55 0.00 -1.14 0.00 0.00 176.83 175.67 3ih2 h ALA 94 N 1.53 0.78 0.00 3.77 0.00 -1.15 -2.78 119.26 121.42 3ih2 h ALA 94 Ca 0.35 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ih2 h ALA 94 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ih2 h ALA 94 CO -0.12 0.69 -0.71 0.66 0.00 0.00 0.00 179.25 179.77 3ih2 h SER 95 N 0.33 0.00 -2.00 0.00 4.64 -1.02 -3.38 113.55 112.11 3ih2 h SER 95 Ca 0.00 -0.14 -0.55 0.00 -0.47 0.00 0.00 61.79 60.64 3ih2 h SER 95 Cb 1.07 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.75 3ih2 h SER 95 CO 0.10 0.07 -0.83 1.41 -0.87 0.00 0.00 176.83 176.71 3ih2 n HIS 96 N -2.33 2.83 -0.18 4.77 -0.00 0.64 -4.99 115.22 115.96 3ih2 n HIS 96 Ca 0.02 -3.73 0.05 0.00 -0.00 0.00 0.00 57.72 54.07 3ih2 n HIS 96 Cb 0.48 -0.40 0.34 0.00 -0.00 0.00 0.00 29.99 30.40 3ih2 n HIS 96 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3ih2 h PRO 97 N 2.92 0.77 -0.31 -0.41 0.13 -1.67 -2.46 132.00 130.97 3ih2 h PRO 97 Ca 0.13 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 3ih2 h PRO 97 Cb 0.73 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 3ih2 h PRO 97 CO 0.73 0.51 0.07 0.93 -0.23 0.00 0.00 178.00 180.01 3ih2 h GLU 98 N 0.79 0.49 -0.79 0.86 3.07 -1.94 0.99 114.58 118.06 3ih2 h GLU 98 Ca 0.30 -0.12 0.08 0.00 -0.50 0.00 0.00 59.36 59.12 3ih2 h GLU 98 Cb 0.17 -0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 27.95 3ih2 h GLU 98 CO -0.09 0.57 0.45 0.93 -1.40 0.00 0.00 179.01 179.46 3ih2 h GLU 99 N 0.34 0.76 -0.11 2.33 5.08 -1.81 -0.92 114.58 120.25 3ih2 h GLU 99 Ca 0.10 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ih2 h GLU 99 Cb 0.30 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ih2 h GLU 99 CO 0.00 0.50 0.05 0.00 -1.00 0.00 0.00 179.01 178.56 3ih2 h ALA 100 N 1.42 0.14 -0.37 3.43 0.00 -1.08 -1.09 119.26 121.72 3ih2 h ALA 100 Ca 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ih2 h ALA 100 Cb 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ih2 h ALA 100 CO -0.23 -0.30 0.21 -0.44 0.00 0.00 0.00 179.25 178.49 3ih2 h ASP 101 N 0.04 0.43 -0.12 0.00 3.32 -0.58 -2.75 116.42 116.78 3ih2 h ASP 101 Ca 0.04 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 3ih2 h ASP 101 Cb 0.12 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.57 3ih2 h ASP 101 CO -0.00 0.35 -0.54 0.15 -1.72 0.00 0.00 179.24 177.47 3ih2 h PHE 102 N 0.50 0.77 -0.53 4.55 3.57 -0.82 -3.25 116.94 121.73 3ih2 h PHE 102 Ca 0.13 -0.34 0.04 0.00 3.53 0.00 0.00 57.97 61.33 3ih2 h PHE 102 Cb 0.00 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3ih2 h PHE 102 CO 0.00 1.12 0.35 -0.07 -2.23 0.00 0.00 178.31 177.49 3ih2 h LEU 103 N 0.20 0.51 -0.15 0.59 3.38 -0.92 -1.99 115.31 116.92 3ih2 h LEU 103 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ih2 h LEU 103 Cb 1.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3ih2 h LEU 103 CO 0.11 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3ih2 n ILE 104 N -4.47 0.56 0.61 1.22 0.13 -1.11 -2.74 119.36 113.56 3ih2 n ILE 104 Ca 0.06 0.02 0.11 0.00 -1.10 0.00 0.00 62.75 61.84 3ih2 n ILE 104 Cb 0.16 -0.77 0.45 0.00 -0.84 0.00 0.00 39.64 38.63 3ih2 n ILE 104 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3ih2 n THR 105 N -1.89 0.65 -0.34 9.51 -2.24 -0.75 -3.65 114.28 115.58 3ih2 n THR 105 Ca 0.05 0.10 0.27 0.00 -2.27 0.00 0.00 64.05 62.19 3ih2 n THR 105 Cb 0.31 -0.85 0.57 0.00 -2.10 0.00 0.00 70.33 68.25 3ih2 n THR 105 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3ih2 h LEU 106 N 0.00 0.35 -1.31 3.22 6.46 -1.69 -0.76 115.31 121.58 3ih2 h LEU 106 Ca 0.00 0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 3ih2 h LEU 106 Cb 0.42 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 3ih2 h LEU 106 CO 0.00 0.04 -0.34 1.62 -0.62 0.00 0.00 178.44 179.13 3ih2 h VAL 107 N 0.29 1.18 0.00 1.05 3.04 -1.86 -3.21 116.25 116.74 3ih2 h VAL 107 Ca 0.62 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3ih2 h VAL 107 Cb 1.77 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 32.71 3ih2 h VAL 107 CO -0.27 0.33 0.00 0.28 -1.01 0.00 0.00 177.57 176.91 3ih2 h SER 108 N 0.00 0.00 -4.26 3.17 0.02 -1.41 -3.46 113.55 107.61 3ih2 h SER 108 Ca -0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 3ih2 h SER 108 Cb 0.63 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.20 3ih2 h SER 108 CO 0.04 0.00 0.39 0.68 -1.14 0.00 0.00 176.83 176.81 3ih2 s VAL 109 N -3.57 4.60 0.40 2.27 -7.23 -1.22 -4.88 120.40 110.77 3ih2 s VAL 109 Ca 0.02 1.09 -0.26 0.00 -1.81 0.00 0.00 61.98 61.02 3ih2 s VAL 109 Cb 0.09 -3.78 -0.10 0.00 0.56 0.00 0.00 36.38 33.15 3ih2 s VAL 109 CO 0.50 -0.86 1.30 -0.90 -0.31 0.00 0.00 175.10 174.83 3ih2 n ASP 110 N -2.02 2.76 -0.24 4.85 5.75 -1.26 -4.68 116.55 121.70 3ih2 n ASP 110 Ca 0.06 1.15 0.20 0.00 -0.01 0.00 0.00 54.79 56.19 3ih2 n ASP 110 Cb 0.54 -1.51 0.53 0.00 -1.03 0.00 0.00 41.12 39.64 3ih2 n ASP 110 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3ih2 h GLU 111 N 2.30 0.37 -0.00 0.11 9.09 -1.96 0.27 114.58 124.75 3ih2 h GLU 111 Ca -0.48 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.91 3ih2 h GLU 111 Cb 1.29 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 3ih2 h GLU 111 CO 0.61 0.24 -0.02 0.41 0.05 0.00 0.00 179.01 180.31 3ih2 n GLY 112 N -1.53 -1.32 0.13 1.06 0.00 -1.26 -1.08 105.19 101.19 3ih2 n GLY 112 Ca 0.19 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 3ih2 n GLY 112 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ih2 n LEU 113 N -1.32 2.57 -0.11 0.99 7.94 0.88 -4.01 117.00 123.94 3ih2 n LEU 113 Ca 0.12 -0.02 -0.04 0.00 -1.11 0.00 0.00 56.01 54.96 3ih2 n LEU 113 Cb 0.27 -0.81 0.17 0.00 0.53 0.00 0.00 43.42 43.59 3ih2 n LEU 113 CO 0.24 0.86 0.91 -0.09 -1.11 0.00 0.00 177.39 178.21 3ih2 h ARG 114 N 0.02 0.80 -0.18 1.96 2.43 -1.34 -2.16 114.38 115.91 3ih2 h ARG 114 Ca -0.53 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 58.44 3ih2 h ARG 114 Cb 1.97 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.41 3ih2 h ARG 114 CO -0.03 0.78 0.08 -0.22 -1.51 0.00 0.00 179.97 179.07 3ih2 h LYS 115 N 0.75 0.26 -0.36 0.20 1.63 -1.32 -0.91 116.57 116.83 3ih2 h LYS 115 Ca 0.15 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.98 3ih2 h LYS 115 Cb 0.40 -0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.91 3ih2 h LYS 115 CO 0.01 0.32 -0.11 -0.09 -3.45 0.00 0.00 179.45 176.13 3ih2 h ARG 116 N 0.15 -0.03 -0.83 1.90 2.43 -1.67 -0.78 114.38 115.55 3ih2 h ARG 116 Ca 0.06 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3ih2 h ARG 116 Cb 0.15 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 3ih2 h ARG 116 CO -0.01 -0.02 0.52 0.82 -1.51 0.00 0.00 179.97 179.77 3ih2 h ILE 117 N -0.03 1.06 -0.26 1.20 2.04 -1.07 -2.09 117.51 118.36 3ih2 h ILE 117 Ca 0.18 -0.33 -0.19 0.00 1.00 0.00 0.00 64.86 65.51 3ih2 h ILE 117 Cb 0.29 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3ih2 h ILE 117 CO -0.39 0.18 -0.59 -0.07 0.00 0.00 0.00 178.15 177.28 3ih2 h LEU 118 N 0.96 0.96 -0.25 1.44 3.38 -0.57 0.39 115.31 121.61 3ih2 h LEU 118 Ca 0.35 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3ih2 h LEU 118 Cb 0.12 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 3ih2 h LEU 118 CO -0.15 1.33 -0.19 -0.07 0.09 0.00 0.00 178.44 179.45 3ih2 h LEU 119 N 0.64 -0.60 -0.78 1.67 3.38 -1.09 -0.92 115.31 117.62 3ih2 h LEU 119 Ca 0.00 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3ih2 h LEU 119 Cb 1.20 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 3ih2 h LEU 119 CO 0.13 -0.23 -0.15 0.44 0.09 0.00 0.00 178.44 178.72 3ih2 h ASP 120 N -0.18 0.00 0.73 -0.43 3.32 -0.98 -2.94 116.42 115.95 3ih2 h ASP 120 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3ih2 h ASP 120 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3ih2 h ASP 120 CO -0.36 0.15 -0.93 0.18 -1.72 0.00 0.00 179.24 176.56 3ih2 n LEU 121 N -3.21 0.69 -0.36 1.55 4.77 0.09 -4.46 117.00 116.07 3ih2 n LEU 121 Ca 0.01 0.17 0.10 0.00 -0.03 0.00 0.00 56.01 56.27 3ih2 n LEU 121 Cb 0.46 -0.11 0.28 0.00 -2.33 0.00 0.00 43.42 41.73 3ih2 n LEU 121 CO 0.33 -0.06 1.21 -0.08 -1.33 0.00 0.00 177.39 177.45 3ih2 h GLU 122 N 0.00 0.84 -0.53 3.23 4.57 -0.98 -0.24 114.58 121.47 3ih2 h GLU 122 Ca 0.00 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.02 3ih2 h GLU 122 Cb 0.83 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 3ih2 h GLU 122 CO 0.00 0.55 -0.12 -0.22 -1.18 0.00 0.00 179.01 178.04 3ih2 h LYS 123 N 0.86 1.00 0.23 1.92 3.64 -1.78 -0.36 116.57 122.08 3ih2 h LYS 123 Ca 0.54 -0.37 -0.33 0.00 -1.27 0.00 0.00 60.65 59.22 3ih2 h LYS 123 Cb 0.72 -0.06 0.03 0.00 -0.41 0.00 0.00 32.23 32.50 3ih2 h LYS 123 CO -0.33 1.05 -1.49 0.66 -2.27 0.00 0.00 179.45 177.07 3ih2 h SER 124 N 0.89 0.76 -0.20 4.20 4.64 -1.45 -3.18 113.55 119.21 3ih2 h SER 124 Ca 0.14 -0.93 -0.00 0.00 -0.47 0.00 0.00 61.79 60.53 3ih2 h SER 124 Cb 0.68 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3ih2 h SER 124 CO 0.05 1.71 0.12 1.56 -0.87 0.00 0.00 176.83 179.39 3ih2 h GLN 125 N 0.08 0.29 0.00 4.77 4.20 -1.07 -2.72 115.11 120.66 3ih2 h GLN 125 Ca -0.27 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 3ih2 h GLN 125 Cb 2.10 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.82 3ih2 h GLN 125 CO 0.24 0.22 -0.05 0.00 -0.67 0.00 0.00 178.83 178.57 3ih2 h ARG 126 N 0.30 0.00 0.10 1.46 2.47 -1.03 -2.90 114.38 114.78 3ih2 h ARG 126 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3ih2 h ARG 126 Cb 0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 3ih2 h ARG 126 CO -0.01 0.05 -0.09 0.28 0.56 0.00 0.00 179.97 180.76 3ih2 h VAL 127 N 0.00 0.79 -0.17 2.04 2.07 -1.54 0.27 116.25 119.71 3ih2 h VAL 127 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3ih2 h VAL 127 Cb 0.21 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3ih2 h VAL 127 CO 0.01 0.00 0.05 0.15 0.02 0.00 0.00 177.57 177.80 3ih2 h PHE 128 N -0.21 0.27 -0.44 1.57 3.57 -1.74 -2.58 116.94 117.39 3ih2 h PHE 128 Ca 0.00 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.56 3ih2 h PHE 128 Cb 0.20 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.78 3ih2 h PHE 128 CO -0.11 0.36 -0.04 0.35 -2.23 0.00 0.00 178.31 176.65 3ih2 h PHE 129 N 0.10 -0.09 0.00 0.41 3.57 -1.39 -1.24 116.94 118.29 3ih2 h PHE 129 Ca 0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3ih2 h PHE 129 Cb 0.22 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 3ih2 h PHE 129 CO -0.00 -0.12 -0.03 -0.44 -2.23 0.00 0.00 178.31 175.48 3ih2 h ASP 130 N 0.07 0.00 0.14 0.41 3.32 -0.40 -2.53 116.42 117.43 3ih2 h ASP 130 Ca 0.22 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.08 3ih2 h ASP 130 Cb 0.32 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.89 3ih2 h ASP 130 CO -0.39 0.03 -0.84 0.15 -1.72 0.00 0.00 179.24 176.47 3ih2 h PHE 131 N 0.00 0.53 -0.32 4.55 3.57 -0.89 -3.05 116.94 121.32 3ih2 h PHE 131 Ca -0.00 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3ih2 h PHE 131 Cb 0.37 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3ih2 h PHE 131 CO 0.00 1.32 0.21 0.28 -2.23 0.00 0.00 178.31 177.89 3ih2 h VAL 132 N -0.38 1.09 -0.60 1.41 2.07 -1.11 -2.08 116.25 116.66 3ih2 h VAL 132 Ca -0.15 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.27 3ih2 h VAL 132 Cb 1.64 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 3ih2 h VAL 132 CO 0.14 0.09 0.23 -0.09 0.02 0.00 0.00 177.57 177.96 3ih2 h ARG 133 N 0.43 0.40 -0.46 1.57 2.43 -1.55 -1.73 114.38 115.48 3ih2 h ARG 133 Ca 0.12 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3ih2 h ARG 133 Cb -0.03 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3ih2 h ARG 133 CO -0.02 0.27 0.03 1.49 -1.51 0.00 0.00 179.97 180.22 3ih2 h GLU 134 N 0.41 0.79 0.00 0.20 4.57 -1.40 -3.15 114.58 116.00 3ih2 h GLU 134 Ca 0.30 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3ih2 h GLU 134 Cb 0.36 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3ih2 h GLU 134 CO -0.29 0.83 -0.15 0.87 -1.18 0.00 0.00 179.01 179.09 3ih2 h LYS 135 N 0.64 0.00 0.00 1.92 1.79 -0.66 -2.71 116.57 117.55 3ih2 h LYS 135 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3ih2 h LYS 135 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3ih2 h LYS 135 CO 0.02 0.15 0.00 -0.07 -1.08 0.00 0.00 179.45 178.47 3ih2 h LEU 136 N 0.00 0.00 -0.18 2.94 3.38 -1.30 -2.57 115.31 117.58 3ih2 h LEU 136 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3ih2 h LEU 136 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3ih2 h LEU 136 CO 0.02 0.00 -0.25 0.11 0.09 0.00 0.00 178.44 178.41 3ih2 h LYS 137 N 0.00 0.00 -0.53 1.13 6.56 -1.58 -3.03 116.57 119.12 3ih2 h LYS 137 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3ih2 h LYS 137 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 3ih2 h LYS 137 CO 0.00 0.25 0.00 -0.25 -2.06 0.00 0.00 179.45 177.39 3ih2 n ASP 138 N -3.19 1.51 -4.50 0.86 8.00 -0.97 -4.90 116.55 113.37 3ih2 n ASP 138 Ca 0.03 -2.11 -0.34 0.00 0.71 0.00 0.00 54.79 53.08 3ih2 n ASP 138 Cb 0.60 -0.32 -0.12 0.00 -0.02 0.00 0.00 41.12 41.26 3ih2 n ASP 138 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ih2 s LEU 139 N -0.83 3.11 -1.03 0.64 2.96 -1.15 -5.05 118.68 117.34 3ih2 s LEU 139 Ca 0.12 -0.14 -0.22 0.00 -0.22 0.00 0.00 54.13 53.67 3ih2 s LEU 139 Cb 0.08 -1.72 0.06 0.00 0.50 0.00 0.00 46.19 45.11 3ih2 s LEU 139 CO 0.06 0.23 1.43 -0.62 -1.32 0.00 0.00 176.35 176.13 3ih2 s ASP 140 N -0.01 6.54 0.56 3.68 2.15 -1.26 -4.98 116.67 123.35 3ih2 s ASP 140 Ca -0.01 -1.58 0.05 0.00 0.43 0.00 0.00 52.55 51.44 3ih2 s ASP 140 Cb -0.14 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 40.00 3ih2 s ASP 140 CO 0.03 -1.44 0.77 -0.76 -0.17 0.00 0.00 175.17 173.60 3ih2 s LEU 141 N 4.67 3.27 -0.08 -1.34 1.43 -1.26 -1.22 118.68 124.15 3ih2 s LEU 141 Ca 0.45 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3ih2 s LEU 141 Cb -0.00 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 3ih2 s LEU 141 CO -0.09 -1.25 -0.14 0.00 0.23 0.00 0.00 176.35 175.10 3ih2 s ALA 142 N -2.71 2.64 -1.77 4.21 0.00 -1.26 -4.32 121.76 118.55 3ih2 s ALA 142 Ca 0.60 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3ih2 s ALA 142 Cb -0.08 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.98 3ih2 s ALA 142 CO 0.38 0.43 0.22 0.39 0.00 0.00 0.00 175.76 177.18 3ih2 n GLU 143 N 2.79 0.00 -0.00 0.00 -0.58 -1.26 0.30 120.64 121.89 3ih2 n GLU 143 Ca -0.18 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.61 3ih2 n GLU 143 Cb 0.52 -1.24 -0.08 0.00 -0.57 0.00 0.00 31.44 30.07 3ih2 n GLU 143 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3ih2 n ASP 144 N -0.69 2.69 -4.34 1.62 3.85 -1.26 -4.94 116.55 113.49 3ih2 n ASP 144 Ca 0.00 -0.01 -0.45 0.00 -0.71 0.00 0.00 54.79 53.61 3ih2 n ASP 144 Cb 0.00 1.45 -0.05 0.00 -1.35 0.00 0.00 41.12 41.16 3ih2 n ASP 144 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3ih2 s VAL 145 N -2.68 5.16 0.48 2.12 1.01 0.88 -5.05 120.40 122.32 3ih2 s VAL 145 Ca -0.04 -1.33 -0.24 0.00 0.00 0.00 0.00 61.98 60.37 3ih2 s VAL 145 Cb 0.06 -4.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 3ih2 s VAL 145 CO 0.41 -0.84 1.42 0.42 0.00 0.00 0.00 175.10 176.52 3ih2 s THR 146 N 1.76 2.01 0.44 3.92 -4.23 -1.26 -4.31 115.64 113.97 3ih2 s THR 146 Ca 0.04 0.01 0.27 0.00 -1.18 0.00 0.00 61.69 60.83 3ih2 s THR 146 Cb -0.28 -3.01 0.46 0.00 1.34 0.00 0.00 72.50 71.02 3ih2 s THR 146 CO 0.04 0.00 1.71 -0.33 -0.54 0.00 0.00 174.62 175.50 3ih2 h GLU 147 N 2.07 0.20 -0.36 3.99 5.08 -1.96 -0.46 114.58 123.14 3ih2 h GLU 147 Ca -0.51 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.77 3ih2 h GLU 147 Cb 1.28 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3ih2 h GLU 147 CO 0.60 0.13 -0.06 0.93 -1.00 0.00 0.00 179.01 179.61 3ih2 h GLU 148 N 0.20 0.67 -0.21 2.33 3.07 -1.99 0.75 114.58 119.40 3ih2 h GLU 148 Ca 0.70 -0.25 -0.20 0.00 -0.50 0.00 0.00 59.36 59.11 3ih2 h GLU 148 Cb 2.13 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 30.00 3ih2 h GLU 148 CO -0.30 0.82 -0.65 0.82 -1.40 0.00 0.00 179.01 178.30 3ih2 h ILE 149 N 0.47 1.29 -0.46 3.13 5.03 -1.77 -1.75 117.51 123.44 3ih2 h ILE 149 Ca 0.09 -1.86 0.01 0.00 -0.12 0.00 0.00 64.86 62.98 3ih2 h ILE 149 Cb 0.56 1.81 -0.02 0.00 -3.03 0.00 0.00 36.82 36.14 3ih2 h ILE 149 CO 0.03 0.59 0.30 0.00 -0.68 0.00 0.00 178.15 178.40 3ih2 h ALA 150 N 0.68 0.58 -0.17 1.87 0.00 -1.07 0.25 119.26 121.40 3ih2 h ALA 150 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ih2 h ALA 150 Cb 1.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3ih2 h ALA 150 CO 0.14 0.02 0.10 1.25 0.00 0.00 0.00 179.25 180.76 3ih2 h LEU 151 N 0.61 0.22 -0.34 0.00 5.85 -0.77 -1.97 115.31 118.92 3ih2 h LEU 151 Ca 0.17 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3ih2 h LEU 151 Cb -0.07 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3ih2 h LEU 151 CO -0.04 0.24 0.16 0.50 -0.34 0.00 0.00 178.44 178.96 3ih2 h LYS 152 N 0.18 0.33 -0.13 1.25 3.64 -0.98 -3.05 116.57 117.82 3ih2 h LYS 152 Ca 0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3ih2 h LYS 152 Cb 0.07 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3ih2 h LYS 152 CO -0.01 0.22 0.07 0.35 -2.27 0.00 0.00 179.45 177.81 3ih2 h PHE 153 N 0.34 0.18 0.00 1.91 3.04 -0.46 -2.24 116.94 119.71 3ih2 h PHE 153 Ca 0.14 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.09 3ih2 h PHE 153 Cb 0.06 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.51 3ih2 h PHE 153 CO -0.10 0.20 0.00 1.28 -2.02 0.00 0.00 178.31 177.67 3ih2 n LEU 154 N -4.94 0.05 0.00 0.59 4.77 -0.75 -0.74 117.00 115.97 3ih2 n LEU 154 Ca -0.05 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3ih2 n LEU 154 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3ih2 n LEU 154 CO 0.34 0.01 0.00 1.87 -1.33 0.00 0.00 177.39 178.28 3ih2 n TRP 156 N 0.43 0.00 -0.09 -1.77 -0.00 -0.84 -1.05 117.44 114.11 3ih2 n TRP 156 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.42 3ih2 n TRP 156 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.31 3ih2 n TRP 156 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.69 178.04 3ih2 h PHE 157 N 0.00 -0.83 -0.20 5.87 3.57 -1.18 0.69 116.94 124.86 3ih2 h PHE 157 Ca 0.00 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3ih2 h PHE 157 Cb 0.00 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3ih2 h PHE 157 CO 0.00 -0.37 -0.09 0.35 -2.23 0.00 0.00 178.31 175.98 3ih2 h PHE 158 N -0.26 0.33 0.00 0.41 3.57 -1.34 -1.42 116.94 118.23 3ih2 h PHE 158 Ca 0.16 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 3ih2 h PHE 158 Cb 0.52 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3ih2 h PHE 158 CO -0.49 0.41 -1.97 -1.13 -2.23 0.00 0.00 178.31 172.90 3ih2 n SER 159 N -4.28 0.94 -0.18 0.41 3.41 -1.03 -3.73 113.62 109.15 3ih2 n SER 159 Ca -0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3ih2 n SER 159 Cb 0.26 1.36 0.01 0.00 -0.26 0.00 0.00 64.21 65.58 3ih2 n SER 159 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ih2 h GLY 160 N 3.25 1.01 0.78 5.00 0.00 0.35 -2.52 103.07 110.94 3ih2 h GLY 160 Ca -0.22 -0.76 0.04 0.00 0.00 0.00 0.00 47.33 46.39 3ih2 h GLY 160 CO 0.01 0.70 0.40 -2.75 0.00 0.00 0.00 176.54 174.90 3ih2 h PHE 161 N 0.81 0.75 0.45 5.60 3.57 -1.41 -1.24 116.94 125.46 3ih2 h PHE 161 Ca 0.15 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3ih2 h PHE 161 Cb 0.55 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3ih2 h PHE 161 CO 0.04 0.40 -0.22 1.49 -2.23 0.00 0.00 178.31 177.79 3ih2 h GLU 162 N 0.77 -0.58 -0.84 1.11 4.81 -1.64 -2.56 114.58 115.65 3ih2 h GLU 162 Ca 0.29 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.75 3ih2 h GLU 162 Cb 0.10 0.13 -0.12 0.00 0.63 0.00 0.00 28.75 29.49 3ih2 h GLU 162 CO -0.14 -0.30 0.33 1.49 -0.73 0.00 0.00 179.01 179.65 3ih2 h GLU 163 N -0.79 0.37 -0.55 1.92 4.81 -1.33 -2.00 114.58 117.01 3ih2 h GLU 163 Ca -0.06 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3ih2 h GLU 163 Cb 0.55 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3ih2 h GLU 163 CO 0.10 0.24 0.24 0.28 -0.73 0.00 0.00 179.01 179.15 3ih2 h VAL 164 N 0.38 1.21 0.00 0.32 2.07 -1.11 -2.74 116.25 116.38 3ih2 h VAL 164 Ca 0.50 -0.62 -0.21 0.00 0.82 0.00 0.00 66.70 67.19 3ih2 h VAL 164 Cb 0.90 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3ih2 h VAL 164 CO -0.51 0.24 -1.01 0.10 0.02 0.00 0.00 177.57 176.42 3ih2 h TYR 165 N 0.74 0.00 -0.10 1.57 -0.00 -1.04 -0.72 116.97 117.41 3ih2 h TYR 165 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.83 3ih2 h TYR 165 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.87 3ih2 h TYR 165 CO 0.00 0.97 -0.30 -0.07 -0.00 0.00 0.00 178.16 178.76 3ih2 h LEU 166 N 0.00 0.19 0.11 0.10 3.38 -1.38 0.12 115.31 117.83 3ih2 h LEU 166 Ca -0.02 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 3ih2 h LEU 166 Cb 1.76 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.47 3ih2 h LEU 166 CO 0.12 0.49 -0.94 0.03 0.09 0.00 0.00 178.44 178.24 3ih2 h ARG 167 N 0.17 0.24 -0.23 1.13 3.08 -1.43 -2.02 114.38 115.32 3ih2 h ARG 167 Ca 0.02 -0.40 -0.07 0.00 0.07 0.00 0.00 59.98 59.60 3ih2 h ARG 167 Cb 0.63 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3ih2 h ARG 167 CO 0.05 1.19 -0.18 1.15 -1.07 0.00 0.00 179.97 181.11 3ih2 h THR 168 N -0.45 1.23 -0.38 2.04 2.02 -1.02 -3.16 112.91 113.19 3ih2 h THR 168 Ca -0.19 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 65.92 3ih2 h THR 168 Cb 1.60 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 3ih2 h THR 168 CO 0.09 0.34 0.00 -1.22 0.37 0.00 0.00 175.52 175.10 3ih2 n TYR 169 N -4.18 0.50 -1.64 3.16 4.02 0.39 -4.94 117.16 114.46 3ih2 n TYR 169 Ca -0.00 -0.30 -0.53 0.00 -0.01 0.00 0.00 57.90 57.06 3ih2 n TYR 169 Cb 0.34 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.60 3ih2 n TYR 169 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 3ih2 n GLN 170 N 1.22 1.29 -0.60 -0.72 7.27 -0.76 -0.89 117.38 124.20 3ih2 n GLN 170 Ca 0.17 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.71 3ih2 n GLN 170 Cb 0.53 -2.15 0.00 0.00 2.41 0.00 0.00 30.24 31.04 3ih2 n GLN 170 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ih2 n GLY 171 N 3.22 1.45 2.56 1.69 0.00 -1.26 -4.90 105.19 107.94 3ih2 n GLY 171 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 3ih2 n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ih2 n LYS 172 N -2.00 2.11 -0.34 1.61 4.01 -0.07 -4.95 118.16 118.53 3ih2 n LYS 172 Ca 0.00 -4.13 0.05 0.00 -0.51 0.00 0.00 58.31 53.71 3ih2 n LYS 172 Cb 0.00 -1.97 0.22 0.00 -0.51 0.00 0.00 35.03 32.77 3ih2 n LYS 172 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 3ih2 h PRO 173 N 3.04 1.03 0.00 1.97 0.13 -1.91 -2.69 132.00 133.57 3ih2 h PRO 173 Ca 0.12 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.15 3ih2 h PRO 173 Cb 0.73 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 3ih2 h PRO 173 CO 0.66 0.68 -0.15 0.93 -0.23 0.00 0.00 178.00 179.90 3ih2 h GLU 174 N 1.06 0.00 0.07 0.86 3.07 -1.93 -1.44 114.58 116.29 3ih2 h GLU 174 Ca 0.43 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 59.01 3ih2 h GLU 174 Cb 0.27 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.20 3ih2 h GLU 174 CO -0.18 0.15 -1.15 -0.07 -1.40 0.00 0.00 179.01 176.35 3ih2 h LEU 175 N 0.00 0.83 -0.36 1.33 4.07 -1.89 0.12 115.31 119.41 3ih2 h LEU 175 Ca -0.00 -0.73 0.03 0.00 0.08 0.00 0.00 57.88 57.27 3ih2 h LEU 175 Cb 0.26 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 3ih2 h LEU 175 CO 0.02 1.53 0.15 0.25 -1.08 0.00 0.00 178.44 179.31 3ih2 h LEU 176 N 0.30 0.20 -1.01 1.67 5.85 -1.40 0.32 115.31 121.25 3ih2 h LEU 176 Ca -0.16 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3ih2 h LEU 176 Cb 1.82 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.82 3ih2 h LEU 176 CO 0.22 0.16 0.14 0.11 -0.34 0.00 0.00 178.44 178.73 3ih2 h LYS 177 N 0.32 0.86 -0.35 1.25 1.57 -1.23 -2.26 116.57 116.74 3ih2 h LYS 177 Ca 0.16 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3ih2 h LYS 177 Cb 0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3ih2 h LYS 177 CO -0.13 0.77 -0.21 -0.09 -0.57 0.00 0.00 179.45 179.21 3ih2 h ARG 178 N 0.83 0.67 -3.36 3.15 2.43 -0.57 -3.43 114.38 114.10 3ih2 h ARG 178 Ca 0.18 -0.26 -0.77 0.00 -0.81 0.00 0.00 59.98 58.33 3ih2 h ARG 178 Cb 0.29 -0.04 -0.19 0.00 -0.42 0.00 0.00 29.97 29.61 3ih2 h ARG 178 CO -0.00 0.83 1.70 -0.25 -1.51 0.00 0.00 179.97 180.74 3ih2 n ASP 179 N -4.12 5.43 0.00 -3.80 8.00 0.11 -4.82 116.55 117.35 3ih2 n ASP 179 Ca 0.00 -3.19 0.00 0.00 0.71 0.00 0.00 54.79 52.31 3ih2 n ASP 179 Cb 0.41 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 3ih2 n ASP 179 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ih2 n ASN 181 N 3.22 0.00 0.05 -2.24 0.23 -1.26 -0.92 115.26 114.34 3ih2 n ASN 181 Ca 0.36 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.28 3ih2 n ASN 181 Cb 0.35 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.97 3ih2 n ASN 181 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3ih2 h THR 182 N 0.00 1.05 -0.55 5.53 2.02 -1.98 -2.57 112.91 116.42 3ih2 h THR 182 Ca 0.00 -0.36 0.09 0.00 0.77 0.00 0.00 66.41 66.91 3ih2 h THR 182 Cb 0.00 1.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 3ih2 h THR 182 CO 0.00 0.09 0.16 -0.07 0.37 0.00 0.00 175.52 176.07 3ih2 h LEU 183 N -0.24 0.10 -0.59 2.58 3.38 -1.44 -1.27 115.31 117.83 3ih2 h LEU 183 Ca -0.01 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3ih2 h LEU 183 Cb 0.21 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3ih2 h LEU 183 CO 0.01 0.07 0.32 0.58 0.09 0.00 0.00 178.44 179.52 3ih2 h VAL 184 N 0.31 0.97 -0.28 1.22 2.07 -1.81 -1.11 116.25 117.62 3ih2 h VAL 184 Ca 0.28 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.46 3ih2 h VAL 184 Cb 0.36 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3ih2 h VAL 184 CO -0.32 0.11 -0.34 -0.08 0.02 0.00 0.00 177.57 176.96 3ih2 h GLU 185 N 0.61 0.61 -0.65 1.57 4.57 -1.20 -1.32 114.58 118.78 3ih2 h GLU 185 Ca 0.26 -0.28 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 3ih2 h GLU 185 Cb 0.15 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3ih2 h GLU 185 CO -0.16 0.87 0.06 0.93 -1.18 0.00 0.00 179.01 179.52 3ih2 h GLU 186 N 0.52 1.11 -0.26 1.92 5.08 -0.96 -2.94 114.58 119.04 3ih2 h GLU 186 Ca 0.06 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3ih2 h GLU 186 Cb 0.83 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3ih2 h GLU 186 CO 0.07 1.04 0.09 0.28 -1.00 0.00 0.00 179.01 179.49 3ih2 h VAL 187 N 1.02 1.19 -0.55 3.13 2.07 -0.85 -2.91 116.25 119.34 3ih2 h VAL 187 Ca 0.19 -0.60 0.10 0.00 0.82 0.00 0.00 66.70 67.22 3ih2 h VAL 187 Cb 0.50 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 3ih2 h VAL 187 CO 0.02 0.20 0.08 0.11 0.02 0.00 0.00 177.57 178.00 3ih2 h LYS 188 N 0.27 0.20 -1.42 1.57 1.57 -1.24 -1.38 116.57 116.14 3ih2 h LYS 188 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3ih2 h LYS 188 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3ih2 h LYS 188 CO -0.00 0.13 0.00 0.28 -0.57 0.00 0.00 179.45 179.29 3ih2 n VAL 189 N -5.16 0.44 0.00 0.50 0.31 -1.10 -1.97 118.33 111.35 3ih2 n VAL 189 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3ih2 n VAL 189 Cb 0.30 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 3ih2 n VAL 189 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3ih2 n LEU 191 N 0.71 0.00 0.01 7.52 4.77 -0.52 -0.73 117.00 128.77 3ih2 n LEU 191 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3ih2 n LEU 191 Cb 0.23 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.40 3ih2 n LEU 191 CO 0.00 0.00 0.52 0.03 -1.33 0.00 0.00 177.39 176.61 3ih2 h ARG 192 N 0.00 0.52 -0.09 3.23 3.08 -1.64 0.10 114.38 119.58 3ih2 h ARG 192 Ca 0.00 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 3ih2 h ARG 192 Cb 0.00 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3ih2 h ARG 192 CO 0.00 0.91 0.05 0.82 -1.07 0.00 0.00 179.97 180.68 3ih2 h ILE 193 N 0.41 1.06 -0.08 2.04 2.04 -1.21 -1.70 117.51 120.07 3ih2 h ILE 193 Ca 0.02 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3ih2 h ILE 193 Cb 1.03 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3ih2 h ILE 193 CO 0.09 0.06 0.01 -0.07 0.00 0.00 0.00 178.15 178.24 3ih2 h LEU 194 N 0.08 -0.02 -0.39 1.44 3.38 -1.80 0.94 115.31 118.94 3ih2 h LEU 194 Ca 0.03 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3ih2 h LEU 194 Cb 0.04 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3ih2 h LEU 194 CO -0.01 0.00 0.03 0.50 0.09 0.00 0.00 178.44 179.06 3ih2 h LYS 195 N 0.04 0.14 -0.51 1.13 3.64 -0.82 -2.76 116.57 117.42 3ih2 h LYS 195 Ca 0.04 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3ih2 h LYS 195 Cb 0.04 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3ih2 h LYS 195 CO -0.06 0.09 0.03 -0.22 -2.27 0.00 0.00 179.45 177.02 3ih2 h LYS 196 N 0.14 0.89 -1.13 1.90 3.64 -1.02 -1.67 116.57 119.32 3ih2 h LYS 196 Ca 0.19 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3ih2 h LYS 196 Cb 0.25 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3ih2 h LYS 196 CO -0.29 0.90 0.00 0.41 -2.27 0.00 0.00 179.45 178.21 3ih2 n GLY 197 N -0.43 1.27 0.00 5.01 0.00 0.30 -4.77 105.19 106.56 3ih2 n GLY 197 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ih2 n GLY 197 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ih2 n THR 199 N 0.51 0.00 1.15 2.61 -2.24 -0.63 -4.97 114.28 110.71 3ih2 n THR 199 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 3ih2 n THR 199 Cb 0.29 0.00 0.55 0.00 -2.10 0.00 0.00 70.33 69.07 3ih2 n THR 199 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79