#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9l s VAL 2 N 0.00 5.07 0.52 7.28 1.01 -1.26 -0.93 120.40 132.09 3i9l s VAL 2 Ca 0.00 1.05 -0.20 0.00 0.00 0.00 0.00 61.98 62.83 3i9l s VAL 2 Cb 0.00 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 3i9l s VAL 2 CO 0.00 0.15 1.09 -2.84 0.00 0.00 0.00 175.10 173.51 3i9l s PRO 3 N 1.71 3.52 0.22 2.72 0.02 -1.26 -4.78 135.00 137.16 3i9l s PRO 3 Ca 0.26 1.51 -0.32 0.00 0.02 0.00 0.00 61.00 62.48 3i9l s PRO 3 Cb -0.16 -2.04 -0.13 0.00 0.02 0.00 0.00 34.50 32.20 3i9l s PRO 3 CO 0.10 -0.69 1.58 2.41 -0.33 0.00 0.00 177.00 180.07 3i9l n THR 4 N -1.18 0.45 -2.45 0.99 -1.04 -0.01 -4.94 114.28 106.10 3i9l n THR 4 Ca 0.11 -0.11 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3i9l n THR 4 Cb 0.52 -1.73 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 3i9l n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3i9l s ARG 5 N 0.35 3.70 -1.40 -2.82 0.52 -1.26 -3.91 118.95 114.12 3i9l s ARG 5 Ca 0.72 1.47 -0.01 0.00 -0.52 0.00 0.00 55.73 57.39 3i9l s ARG 5 Cb -0.59 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 32.77 3i9l s ARG 5 CO 0.42 -0.54 0.49 0.39 0.02 0.00 0.00 175.30 176.08 3i9l n GLU 6 N -0.97 -3.63 -0.21 3.54 1.02 -1.26 -4.78 120.64 114.35 3i9l n GLU 6 Ca 0.10 0.45 0.02 0.00 -0.02 0.00 0.00 57.16 57.70 3i9l n GLU 6 Cb 0.52 -4.68 0.12 0.00 -0.02 0.00 0.00 31.44 27.37 3i9l n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i9l h LEU 7 N -1.84 -0.03 -0.30 -4.62 5.85 -1.98 -1.26 115.31 111.14 3i9l h LEU 7 Ca -0.62 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 3i9l h LEU 7 Cb 1.37 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 3i9l h LEU 7 CO 0.62 -0.02 0.03 -0.08 -0.34 0.00 0.00 178.44 178.65 3i9l h GLU 8 N 0.24 0.51 -0.95 1.25 4.81 -1.94 0.31 114.58 118.81 3i9l h GLU 8 Ca 0.34 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3i9l h GLU 8 Cb 0.53 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 3i9l h GLU 8 CO -0.44 0.63 0.63 -0.91 -0.73 0.00 0.00 179.01 178.18 3i9l h ASN 9 N 0.32 1.05 -0.09 1.04 2.35 -1.70 -0.65 115.58 117.89 3i9l h ASN 9 Ca 0.09 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3i9l h ASN 9 Cb 0.38 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 3i9l h ASN 9 CO 0.01 0.72 -0.15 0.58 -1.65 0.00 0.00 177.43 176.95 3i9l h VAL 10 N 1.22 1.39 -0.22 2.81 2.07 -0.97 -0.45 116.25 122.10 3i9l h VAL 10 Ca 0.37 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.53 3i9l h VAL 10 Cb -0.02 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 3i9l h VAL 10 CO -0.11 0.40 -0.08 0.15 0.02 0.00 0.00 177.57 177.95 3i9l h PHE 11 N -0.20 -0.17 -0.21 1.57 3.04 -0.83 0.22 116.94 120.35 3i9l h PHE 11 Ca 0.01 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.86 3i9l h PHE 11 Cb 0.71 0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 3i9l h PHE 11 CO 0.11 -0.13 -0.39 -0.07 -2.02 0.00 0.00 178.31 175.81 3i9l h LEU 12 N -0.03 0.50 -0.22 0.59 3.38 -1.12 0.15 115.31 118.56 3i9l h LEU 12 Ca 0.11 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3i9l h LEU 12 Cb 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i9l h LEU 12 CO -0.25 0.84 -0.37 1.23 0.09 0.00 0.00 178.44 179.98 3i9l h GLY 13 N 1.10 0.70 1.10 0.83 0.00 -0.80 -1.12 103.07 104.88 3i9l h GLY 13 Ca 0.04 -0.80 -0.09 0.00 0.00 0.00 0.00 47.33 46.48 3i9l h GLY 13 CO 0.07 0.72 0.04 3.21 0.00 0.00 0.00 176.54 180.58 3i9l h ARG 14 N 0.33 1.08 -0.39 4.80 3.08 -0.81 -1.19 114.38 121.28 3i9l h ARG 14 Ca 0.02 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 3i9l h ARG 14 Cb 0.97 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 3i9l h ARG 14 CO 0.08 1.03 0.18 0.00 -1.07 0.00 0.00 179.97 180.20 3i9l h LYS 16 N 0.49 0.53 -0.32 0.00 1.63 -1.11 0.41 116.57 118.19 3i9l h LYS 16 Ca 0.13 -0.30 0.06 0.00 -0.85 0.00 0.00 60.65 59.69 3i9l h LYS 16 Cb 0.12 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.72 3i9l h LYS 16 CO -0.02 0.89 -0.03 0.22 -3.45 0.00 0.00 179.45 177.06 3i9l h ASP 17 N 0.21 -0.20 0.17 4.20 3.58 -1.15 -1.95 116.42 121.27 3i9l h ASP 17 Ca 0.03 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3i9l h ASP 17 Cb 0.82 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 3i9l h ASP 17 CO 0.06 -0.06 -0.16 0.22 -2.88 0.00 0.00 179.24 176.42 3i9l h TYR 18 N 0.05 -0.41 -0.32 0.28 5.03 -0.67 -0.56 116.97 120.36 3i9l h TYR 18 Ca 0.16 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.54 3i9l h TYR 18 Cb 0.22 0.16 -0.08 0.00 1.55 0.00 0.00 36.73 38.58 3i9l h TYR 18 CO -0.26 -0.24 -0.30 1.49 -1.32 0.00 0.00 178.16 177.53 3i9l h GLU 19 N -0.35 -0.26 0.00 1.82 4.81 -0.62 -1.61 114.58 118.37 3i9l h GLU 19 Ca -0.00 0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 3i9l h GLU 19 Cb 0.33 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3i9l h GLU 19 CO -0.03 -0.17 -1.03 0.82 -0.73 0.00 0.00 179.01 177.86 3i9l h ILE 20 N -0.27 0.94 0.00 2.32 1.08 -1.30 -3.43 117.51 116.85 3i9l h ILE 20 Ca 0.15 -2.48 0.00 0.00 -0.39 0.00 0.00 64.86 62.14 3i9l h ILE 20 Cb 0.52 2.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.67 3i9l h ILE 20 CO -0.48 0.54 -0.21 0.35 -0.69 0.00 0.00 178.15 177.66 3i9l n THR 21 N -3.13 0.00 -4.24 -0.27 -2.24 -0.23 -5.03 114.28 99.14 3i9l n THR 21 Ca -0.04 -0.11 -0.35 0.00 -2.27 0.00 0.00 64.05 61.28 3i9l n THR 21 Cb 0.85 0.60 -0.09 0.00 -2.10 0.00 0.00 70.33 69.59 3i9l n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i9l s ARG 22 N -0.64 3.24 -1.80 -0.78 1.81 -0.62 -4.57 118.95 115.59 3i9l s ARG 22 Ca 0.00 -0.36 0.00 0.00 -1.72 0.00 0.00 55.73 53.65 3i9l s ARG 22 Cb 0.00 -2.93 0.00 0.00 -0.45 0.00 0.00 34.95 31.57 3i9l s ARG 22 CO 0.00 0.63 0.00 0.66 -0.68 0.00 0.00 175.30 175.91 3i9l n TYR 23 N 2.39 -0.93 0.07 -0.53 4.02 -1.26 -4.82 117.16 116.11 3i9l n TYR 23 Ca -0.18 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.74 3i9l n TYR 23 Cb 0.54 -3.92 0.41 0.00 -0.02 0.00 0.00 39.34 36.35 3i9l n TYR 23 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3i9l h LEU 24 N 0.00 0.33 -3.14 7.72 3.38 -1.81 -0.44 115.31 121.35 3i9l h LEU 24 Ca -0.49 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3i9l h LEU 24 Cb 1.36 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3i9l h LEU 24 CO 0.58 0.36 0.00 0.47 0.09 0.00 0.00 178.44 179.94 3i9l n ASP 25 N -4.37 4.53 0.00 -0.43 8.00 -1.26 -4.51 116.55 118.51 3i9l n ASP 25 Ca 0.01 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 53.03 3i9l n ASP 25 Cb 0.17 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 3i9l n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3i9l n ILE 26 N 0.89 0.00 -4.27 0.53 5.41 -0.54 -5.08 119.36 116.30 3i9l n ILE 26 Ca 0.24 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.82 3i9l n ILE 26 Cb 0.86 -0.77 -0.14 0.00 -0.71 0.00 0.00 39.64 38.88 3i9l n ILE 26 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3i9l s LEU 27 N -5.09 2.09 0.66 1.39 1.43 -0.29 -4.60 118.68 114.28 3i9l s LEU 27 Ca 0.00 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.69 3i9l s LEU 27 Cb 0.00 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.82 3i9l s LEU 27 CO 0.00 0.03 1.08 -2.16 0.23 0.00 0.00 176.35 175.54 3i9l s PRO 28 N -0.62 2.88 0.46 1.29 0.04 -1.26 -4.59 135.00 133.20 3i9l s PRO 28 Ca 0.01 1.23 -0.21 0.00 0.04 0.00 0.00 61.00 62.07 3i9l s PRO 28 Cb -0.05 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3i9l s PRO 28 CO 0.00 -1.16 0.99 1.03 0.04 0.00 0.00 177.00 177.90 3i9l s ARG 29 N -4.38 4.01 0.54 4.56 1.81 -1.26 -4.93 118.95 119.29 3i9l s ARG 29 Ca 0.63 1.24 -0.02 0.00 -1.72 0.00 0.00 55.73 55.86 3i9l s ARG 29 Cb -0.17 -2.14 0.01 0.00 -0.45 0.00 0.00 34.95 32.20 3i9l s ARG 29 CO 0.45 -0.24 0.80 0.08 -0.68 0.00 0.00 175.30 175.71 3i9l s VAL 30 N -2.09 3.51 0.13 3.52 1.01 -1.26 -5.02 120.40 120.21 3i9l s VAL 30 Ca 0.65 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 3i9l s VAL 30 Cb -0.13 -3.35 -0.19 0.00 0.00 0.00 0.00 36.38 32.71 3i9l s VAL 30 CO 0.17 -0.30 1.30 0.03 0.00 0.00 0.00 175.10 176.30 3i9l h ARG 31 N 0.05 0.26 -6.75 2.72 3.08 -1.95 -3.46 114.38 108.34 3i9l h ARG 31 Ca -0.45 -0.32 -0.51 0.00 0.07 0.00 0.00 59.98 58.76 3i9l h ARG 31 Cb 1.27 0.10 0.02 0.00 0.08 0.00 0.00 29.97 31.44 3i9l h ARG 31 CO 0.58 1.06 0.53 -1.12 -1.07 0.00 0.00 179.97 179.95 3i9l s SER 32 N -7.01 7.13 0.82 7.04 0.01 -1.26 -5.04 113.70 115.38 3i9l s SER 32 Ca -0.04 2.31 -0.12 0.00 1.31 0.00 0.00 55.95 59.41 3i9l s SER 32 Cb 0.09 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.78 3i9l s SER 32 CO 0.85 -0.29 1.12 1.51 0.41 0.00 0.00 173.24 176.83 3i9l s ASP 33 N -0.39 4.36 0.32 2.44 3.84 -1.26 -4.85 116.67 121.14 3i9l s ASP 33 Ca 0.49 1.13 0.04 0.00 -0.00 0.00 0.00 52.55 54.20 3i9l s ASP 33 Cb -0.33 -1.80 0.55 0.00 -1.38 0.00 0.00 42.92 39.95 3i9l s ASP 33 CO 0.41 -2.03 1.84 0.00 -0.00 0.00 0.00 175.17 175.38 3i9l h SER 35 N 0.50 0.74 -0.46 0.00 4.64 -1.97 -0.70 113.55 116.29 3i9l h SER 35 Ca 0.10 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 3i9l h SER 35 Cb 0.41 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3i9l h SER 35 CO 0.02 0.77 0.02 0.00 -0.87 0.00 0.00 176.83 176.77 3i9l h ALA 36 N 1.32 0.62 -0.65 5.18 0.00 -1.78 -1.23 119.26 122.72 3i9l h ALA 36 Ca 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3i9l h ALA 36 Cb 0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3i9l h ALA 36 CO 0.01 0.39 0.30 -0.07 0.00 0.00 0.00 179.25 179.88 3i9l h LEU 37 N 0.65 0.85 -0.48 0.00 3.38 -1.06 -1.89 115.31 116.76 3i9l h LEU 37 Ca 0.13 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3i9l h LEU 37 Cb 0.46 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3i9l h LEU 37 CO 0.02 0.75 0.28 -0.25 0.09 0.00 0.00 178.44 179.33 3i9l h TRP 38 N 0.89 0.52 -0.82 1.13 2.91 -0.93 0.21 115.95 119.87 3i9l h TRP 38 Ca 0.22 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.33 3i9l h TRP 38 Cb 0.13 -0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 28.55 3i9l h TRP 38 CO 0.00 0.29 0.49 -0.22 -1.03 0.00 0.00 178.44 177.98 3i9l h LYS 39 N 0.56 0.85 -0.30 2.65 3.64 -0.82 0.94 116.57 124.09 3i9l h LYS 39 Ca 0.20 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 3i9l h LYS 39 Cb 0.03 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3i9l h LYS 39 CO -0.10 0.56 -0.48 -0.44 -2.27 0.00 0.00 179.45 176.72 3i9l h ASP 40 N 0.88 0.90 0.27 4.20 3.32 -0.94 -2.60 116.42 122.44 3i9l h ASP 40 Ca 0.37 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3i9l h ASP 40 Cb 0.23 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3i9l h ASP 40 CO -0.20 1.23 -0.13 0.15 -1.72 0.00 0.00 179.24 178.57 3i9l h PHE 41 N 0.65 -0.33 -0.68 4.55 3.57 -0.61 -3.22 116.94 120.86 3i9l h PHE 41 Ca 0.03 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3i9l h PHE 41 Cb 1.07 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 3i9l h PHE 41 CO 0.06 -0.07 0.31 0.35 -2.23 0.00 0.00 178.31 176.73 3i9l h PHE 42 N -0.55 0.98 0.00 0.41 3.57 -0.83 -2.31 116.94 118.21 3i9l h PHE 42 Ca -0.04 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3i9l h PHE 42 Cb 0.41 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3i9l h PHE 42 CO -0.01 0.73 0.00 1.57 -2.23 0.00 0.00 178.31 178.38 3i9l h LYS 43 N 0.98 0.00 -0.39 1.11 2.10 -1.54 0.20 116.57 119.01 3i9l h LYS 43 Ca 0.23 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.88 3i9l h LYS 43 Cb 0.13 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.45 3i9l h LYS 43 CO -0.03 0.00 0.23 0.00 -2.00 0.00 0.00 179.45 177.65 3i9l h ALA 44 N 2.01 1.66 0.00 0.07 0.00 -1.42 -3.34 119.26 118.24 3i9l h ALA 44 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i9l h ALA 44 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3i9l h ALA 44 CO 0.00 0.29 -0.13 1.97 0.00 0.00 0.00 179.25 181.38 3i9l n PHE 45 N -4.45 0.00 -2.64 0.00 -1.74 -1.02 -4.79 117.46 102.82 3i9l n PHE 45 Ca 0.03 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.57 3i9l n PHE 45 Cb 0.09 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.04 3i9l n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 3i9l s SER 46 N -0.79 6.67 -1.49 5.98 1.04 0.03 -3.61 113.70 121.53 3i9l s SER 46 Ca 0.00 1.88 -0.01 0.00 0.48 0.00 0.00 55.95 58.30 3i9l s SER 46 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 3i9l s SER 46 CO 0.00 -0.55 0.18 0.49 0.98 0.00 0.00 173.24 174.34 3i9l n PHE 47 N -0.56 -1.15 -4.14 5.02 3.72 -0.31 -4.94 117.46 115.09 3i9l n PHE 47 Ca 0.07 0.15 -0.09 0.00 -0.05 0.00 0.00 57.45 57.53 3i9l n PHE 47 Cb 0.52 -3.76 -0.10 0.00 -0.94 0.00 0.00 39.48 35.20 3i9l n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3i9l s LYS 48 N -5.12 0.76 0.66 -1.08 1.02 -1.10 -4.52 119.74 110.36 3i9l s LYS 48 Ca 0.09 -1.30 -0.17 0.00 0.02 0.00 0.00 55.97 54.60 3i9l s LYS 48 Cb -0.04 -0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 3i9l s LYS 48 CO 0.11 -0.07 1.08 0.09 -0.92 0.00 0.00 175.35 175.64 3i9l n ASN 49 N 0.01 1.12 0.30 2.83 5.03 -1.26 -1.39 115.26 121.89 3i9l n ASN 49 Ca -0.12 0.77 0.19 0.00 0.87 0.00 0.00 54.58 56.28 3i9l n ASN 49 Cb 0.61 -1.45 0.86 0.00 -1.02 0.00 0.00 39.78 38.78 3i9l n ASN 49 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3i9l h PRO 50 N 0.25 0.00 -0.46 3.52 0.13 -1.91 -1.76 132.00 131.77 3i9l h PRO 50 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3i9l h PRO 50 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3i9l h PRO 50 CO 0.50 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.28 3i9l n ASP 52 N 1.50 6.22 -4.13 0.00 2.03 -0.66 -4.75 116.55 116.77 3i9l n ASP 52 Ca 0.20 -3.01 -0.12 0.00 0.52 0.00 0.00 54.79 52.38 3i9l n ASP 52 Cb 0.60 -1.48 -0.11 0.00 -0.72 0.00 0.00 41.12 39.42 3i9l n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i9l s LEU 53 N -0.34 2.41 0.00 -2.67 1.43 -1.26 -4.88 118.68 113.37 3i9l s LEU 53 Ca 0.49 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3i9l s LEU 53 Cb 0.14 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.26 3i9l s LEU 53 CO -0.05 -0.36 0.29 -0.90 0.23 0.00 0.00 176.35 175.56 3i9l n ASP 54 N 0.58 -0.80 0.25 2.29 5.68 -1.26 -3.29 116.55 120.01 3i9l n ASP 54 Ca -0.17 -2.03 0.17 0.00 -0.50 0.00 0.00 54.79 52.27 3i9l n ASP 54 Cb 0.58 1.47 0.81 0.00 -1.14 0.00 0.00 41.12 42.84 3i9l n ASP 54 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3i9l h LEU 55 N 0.00 0.00 -0.13 -2.12 -0.00 -1.87 -1.36 115.31 109.83 3i9l h LEU 55 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 3i9l h LEU 55 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 3i9l h LEU 55 CO 0.21 0.00 -0.30 0.61 -0.00 0.00 0.00 178.44 178.96 3i9l n GLY 56 N -0.52 -1.13 0.29 0.83 0.00 -1.26 -4.42 105.19 98.97 3i9l n GLY 56 Ca -0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 3i9l n GLY 56 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i9l h SER 57 N 0.31 0.85 -0.60 1.61 0.02 -1.58 -2.07 113.55 112.09 3i9l h SER 57 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3i9l h SER 57 Cb 0.48 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3i9l h SER 57 CO 0.00 0.64 0.00 -1.22 -1.14 0.00 0.00 176.83 175.11 3i9l n TYR 58 N -4.55 1.98 -0.13 3.45 4.01 -1.26 -4.34 117.16 116.31 3i9l n TYR 58 Ca 0.06 -0.70 -0.05 0.00 -0.16 0.00 0.00 57.90 57.05 3i9l n TYR 58 Cb 0.04 -0.46 0.02 0.00 -0.31 0.00 0.00 39.34 38.63 3i9l n TYR 58 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3i9l h LYS 59 N 4.07 -0.09 -0.54 -0.72 3.64 -1.62 -0.67 116.57 120.64 3i9l h LYS 59 Ca 0.00 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 3i9l h LYS 59 Cb 1.88 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.70 3i9l h LYS 59 CO 0.44 -0.06 0.15 -0.44 -2.27 0.00 0.00 179.45 177.27 3i9l h ASP 60 N -0.10 0.80 0.06 4.20 3.32 -1.82 -1.00 116.42 121.88 3i9l h ASP 60 Ca 0.21 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3i9l h ASP 60 Cb 0.43 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3i9l h ASP 60 CO -0.51 0.81 -0.10 0.15 -1.72 0.00 0.00 179.24 177.88 3i9l h PHE 61 N 0.75 -0.24 -0.18 4.55 3.57 -1.60 -0.92 116.94 122.87 3i9l h PHE 61 Ca 0.17 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 3i9l h PHE 61 Cb 0.31 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3i9l h PHE 61 CO 0.02 -0.15 -0.30 0.74 -2.23 0.00 0.00 178.31 176.39 3i9l h PHE 62 N -0.19 0.40 -0.58 0.41 0.04 -0.92 0.75 116.94 116.85 3i9l h PHE 62 Ca 0.02 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 3i9l h PHE 62 Cb 0.21 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 3i9l h PHE 62 CO -0.13 0.62 0.20 1.15 -0.60 0.00 0.00 178.31 179.55 3i9l h THR 63 N 0.31 1.23 -0.35 -1.55 2.02 -1.04 -1.42 112.91 112.11 3i9l h THR 63 Ca 0.04 -0.77 -0.11 0.00 0.77 0.00 0.00 66.41 66.34 3i9l h THR 63 Cb 0.69 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3i9l h THR 63 CO 0.05 0.29 -0.24 0.28 0.37 0.00 0.00 175.52 176.27 3i9l h SER 64 N 0.81 0.69 0.18 4.18 0.02 -0.74 -3.21 113.55 115.48 3i9l h SER 64 Ca 0.19 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3i9l h SER 64 Cb 0.25 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3i9l h SER 64 CO -0.01 0.92 -0.21 0.00 -1.14 0.00 0.00 176.83 176.39 3i9l n ALA 65 N -2.50 2.98 -2.33 3.77 0.00 0.22 -4.63 120.51 118.03 3i9l n ALA 65 Ca -0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 3i9l n ALA 65 Cb 0.43 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 3i9l n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i9l s GLN 66 N -2.40 4.63 0.02 0.00 2.00 -0.56 -4.56 119.66 118.78 3i9l s GLN 66 Ca 0.27 1.53 0.01 0.00 -2.00 0.00 0.00 55.36 55.17 3i9l s GLN 66 Cb 0.20 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.60 3i9l s GLN 66 CO 0.48 0.09 0.06 -0.65 -0.50 0.00 0.00 175.29 174.78 3i9l s GLN 67 N 0.22 2.96 0.26 1.67 -0.21 -1.26 -4.93 119.66 118.37 3i9l s GLN 67 Ca 0.49 -0.56 -0.31 0.00 0.02 0.00 0.00 55.36 55.00 3i9l s GLN 67 Cb -0.25 -2.79 -0.13 0.00 1.00 0.00 0.00 33.01 30.85 3i9l s GLN 67 CO 0.30 0.62 1.47 0.94 -2.12 0.00 0.00 175.29 176.51 3i9l n GLN 68 N 1.05 2.26 -4.30 2.91 7.27 -1.26 -4.97 117.38 120.35 3i9l n GLN 68 Ca -0.12 0.80 -0.32 0.00 0.07 0.00 0.00 57.00 57.44 3i9l n GLN 68 Cb 0.52 -2.50 -0.09 0.00 2.41 0.00 0.00 30.24 30.58 3i9l n GLN 68 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3i9l s LEU 69 N -0.08 3.35 0.12 1.69 1.43 -1.26 -4.43 118.68 119.50 3i9l s LEU 69 Ca 0.67 -0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 53.33 3i9l s LEU 69 Cb -0.60 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 43.55 3i9l s LEU 69 CO 0.49 0.25 1.66 -2.16 0.23 0.00 0.00 176.35 176.82 3i9l s PRO 70 N -1.75 4.19 0.26 1.29 0.04 -1.26 -4.73 135.00 133.04 3i9l s PRO 70 Ca 0.20 2.40 -0.30 0.00 0.04 0.00 0.00 61.00 63.34 3i9l s PRO 70 Cb -0.11 -3.43 -0.13 0.00 0.04 0.00 0.00 34.50 30.87 3i9l s PRO 70 CO 0.12 -0.71 1.36 1.17 0.04 0.00 0.00 177.00 178.97 3i9l n LYS 71 N 5.01 2.01 -0.88 4.56 4.81 -1.26 -2.46 118.16 129.94 3i9l n LYS 71 Ca 0.15 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 3i9l n LYS 71 Cb 0.39 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.10 3i9l n LYS 71 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3i9l n ASN 72 N 1.82 -2.06 -0.14 3.14 3.02 -0.38 -4.82 115.26 115.84 3i9l n ASN 72 Ca 0.10 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.67 3i9l n ASN 72 Cb 0.32 -1.45 0.02 0.00 -0.61 0.00 0.00 39.78 38.06 3i9l n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i9l n LYS 73 N -1.63 -0.06 -2.69 3.52 5.02 -1.03 -4.71 118.16 116.58 3i9l n LYS 73 Ca 0.00 -0.83 -0.42 0.00 -2.02 0.00 0.00 58.31 55.04 3i9l n LYS 73 Cb 0.11 -1.06 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 3i9l n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9l s VAL 74 N -0.37 4.80 -0.02 -0.18 1.01 -1.26 -0.91 120.40 123.46 3i9l s VAL 74 Ca 0.04 2.02 0.07 0.00 0.00 0.00 0.00 61.98 64.11 3i9l s VAL 74 Cb 0.03 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 3i9l s VAL 74 CO 0.04 0.11 -0.22 -0.32 0.00 0.00 0.00 175.10 174.71 3i9l s MET 75 N 1.33 2.20 0.21 2.72 0.00 -0.22 -1.22 119.30 124.31 3i9l s MET 75 Ca 0.51 -0.88 0.10 0.00 0.00 0.00 0.00 55.69 55.43 3i9l s MET 75 Cb -0.21 -2.15 -0.04 0.00 0.00 0.00 0.00 34.83 32.43 3i9l s MET 75 CO 0.25 0.57 -0.16 -0.06 0.00 0.00 0.00 175.02 175.63 3i9l s PHE 76 N -0.69 2.47 0.01 4.11 0.08 0.42 -4.29 117.98 120.08 3i9l s PHE 76 Ca 0.11 -0.29 -0.16 0.00 0.12 0.00 0.00 56.93 56.71 3i9l s PHE 76 Cb -0.10 -1.19 0.03 0.00 -0.57 0.00 0.00 43.02 41.19 3i9l s PHE 76 CO 0.00 0.54 0.36 1.67 -0.10 0.00 0.00 175.22 177.69 3i9l s TRP 77 N -1.85 -0.21 -0.05 0.36 1.48 -1.26 -1.22 118.94 116.18 3i9l s TRP 77 Ca 0.25 0.25 -0.01 0.00 -1.06 0.00 0.00 56.10 55.53 3i9l s TRP 77 Cb -0.08 0.14 0.03 0.00 -1.16 0.00 0.00 33.47 32.40 3i9l s TRP 77 CO 0.14 -0.47 0.02 -1.12 -4.06 0.00 0.00 176.95 171.46 3i9l s SER 78 N -1.62 1.13 0.00 -2.66 0.01 -0.70 -4.84 113.70 105.02 3i9l s SER 78 Ca -0.10 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.15 3i9l s SER 78 Cb -0.03 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.92 3i9l s SER 78 CO 0.02 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.09 3i9l n GLY 79 N 4.93 0.60 2.72 3.44 0.00 -1.26 -3.49 105.19 112.13 3i9l n GLY 79 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 3i9l n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9l n VAL 80 N -2.65 1.12 -0.06 1.61 0.24 -1.26 -4.76 118.33 112.57 3i9l n VAL 80 Ca 0.00 -3.03 -0.12 0.00 -2.04 0.00 0.00 64.34 59.15 3i9l n VAL 80 Cb 0.03 0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 33.22 3i9l n VAL 80 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3i9l h TYR 81 N 2.84 -1.30 -0.36 6.34 5.03 -1.96 -0.30 116.97 127.26 3i9l h TYR 81 Ca -0.11 0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.21 3i9l h TYR 81 Cb 1.21 0.61 -0.01 0.00 1.55 0.00 0.00 36.73 40.09 3i9l h TYR 81 CO 0.51 -0.47 0.02 -0.44 -1.32 0.00 0.00 178.16 176.46 3i9l h ASP 82 N -0.43 0.60 -0.57 -2.11 3.32 -1.99 -1.73 116.42 113.51 3i9l h ASP 82 Ca 0.10 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 3i9l h ASP 82 Cb 0.61 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3i9l h ASP 82 CO -0.49 0.74 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.41 3i9l h GLU 83 N 0.44 1.03 -0.36 3.56 3.07 -1.91 0.11 114.58 120.51 3i9l h GLU 83 Ca 0.10 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 58.59 3i9l h GLU 83 Cb 0.42 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3i9l h GLU 83 CO 0.01 1.03 0.11 0.00 -1.40 0.00 0.00 179.01 178.77 3i9l h ALA 84 N 0.96 0.47 -0.02 3.43 0.00 -0.92 -1.09 119.26 122.09 3i9l h ALA 84 Ca 0.16 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3i9l h ALA 84 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3i9l h ALA 84 CO 0.04 0.11 -0.70 0.45 0.00 0.00 0.00 179.25 179.14 3i9l h HIS 85 N 0.43 0.16 -0.45 0.00 3.86 -1.19 0.02 115.15 117.98 3i9l h HIS 85 Ca 0.12 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 3i9l h HIS 85 Cb 0.26 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3i9l h HIS 85 CO 0.01 0.78 -0.12 -0.44 0.86 0.00 0.00 177.93 179.02 3i9l h ASP 86 N 0.08 0.88 -0.18 2.45 3.32 -0.88 -0.99 116.42 121.10 3i9l h ASP 86 Ca -0.02 -0.37 -0.06 0.00 0.02 0.00 0.00 57.03 56.61 3i9l h ASP 86 Cb 1.25 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 3i9l h ASP 86 CO 0.10 1.05 -0.13 0.22 -1.72 0.00 0.00 179.24 178.76 3i9l h TYR 87 N 0.71 0.48 -0.46 4.55 3.20 -1.03 -3.03 116.97 121.39 3i9l h TYR 87 Ca 0.11 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 3i9l h TYR 87 Cb 0.67 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 3i9l h TYR 87 CO 0.05 0.75 0.26 0.00 -1.64 0.00 0.00 178.16 177.58 3i9l h ALA 88 N 0.66 1.60 -4.96 1.82 0.00 -0.93 -3.43 119.26 114.02 3i9l h ALA 88 Ca 0.04 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 3i9l h ALA 88 Cb 0.64 -0.19 0.15 0.00 0.00 0.00 0.00 17.79 18.40 3i9l h ALA 88 CO 0.04 0.34 -0.66 -1.71 0.00 0.00 0.00 179.25 177.26 3i9l n ASN 89 N -4.43 -4.07 -3.89 0.00 5.15 -0.38 -1.25 115.26 106.39 3i9l n ASN 89 Ca 0.04 -0.54 -0.26 0.00 -0.60 0.00 0.00 54.58 53.22 3i9l n ASN 89 Cb 0.09 -4.27 0.01 0.00 -0.53 0.00 0.00 39.78 35.08 3i9l n ASN 89 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3i9l n THR 90 N -3.18 -3.08 0.00 -0.44 -1.04 -1.26 -0.93 114.28 104.35 3i9l n THR 90 Ca -0.14 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 3i9l n THR 90 Cb 0.61 -2.96 0.00 0.00 -1.82 0.00 0.00 70.33 66.17 3i9l n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i9l n GLY 91 N -1.72 2.24 0.23 3.41 0.00 -0.99 -4.90 105.19 103.45 3i9l n GLY 91 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3i9l n GLY 91 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i9l h ARG 92 N 2.54 0.69 0.00 1.61 0.11 -1.03 -3.36 114.38 114.95 3i9l h ARG 92 Ca 0.00 -0.44 -0.45 0.00 0.10 0.00 0.00 59.98 59.19 3i9l h ARG 92 Cb 0.00 0.05 -0.07 0.00 1.11 0.00 0.00 29.97 31.06 3i9l h ARG 92 CO 0.00 1.06 -2.49 1.17 0.10 0.00 0.00 179.97 179.81 3i9l n LYS 93 N -3.98 0.59 -4.12 0.08 4.81 -0.38 -5.04 118.16 110.13 3i9l n LYS 93 Ca -0.04 0.27 -0.08 0.00 -0.87 0.00 0.00 58.31 57.59 3i9l n LYS 93 Cb 0.62 -1.51 -0.10 0.00 0.02 0.00 0.00 35.03 34.06 3i9l n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3i9l s TYR 94 N -2.50 0.65 0.03 5.64 2.02 -0.89 -4.88 117.35 117.42 3i9l s TYR 94 Ca -0.38 -1.03 -0.15 0.00 -0.37 0.00 0.00 57.07 55.14 3i9l s TYR 94 Cb 0.14 -0.43 -0.06 0.00 -0.40 0.00 0.00 41.96 41.21 3i9l s TYR 94 CO 0.50 -0.31 0.44 0.42 -1.57 0.00 0.00 175.55 175.03 3i9l s ILE 95 N -3.83 4.98 0.38 2.71 -1.09 -0.09 -2.35 121.20 121.90 3i9l s ILE 95 Ca 0.09 0.85 0.08 0.00 -2.23 0.00 0.00 60.65 59.44 3i9l s ILE 95 Cb 0.07 -3.73 -0.06 0.00 -1.58 0.00 0.00 42.46 37.16 3i9l s ILE 95 CO -0.08 0.51 0.08 0.42 -1.23 0.00 0.00 174.94 174.65 3i9l s THR 96 N -1.15 2.43 0.51 2.92 -4.23 -1.26 -1.05 115.64 113.81 3i9l s THR 96 Ca 0.27 -1.86 0.19 0.00 -1.18 0.00 0.00 61.69 59.10 3i9l s THR 96 Cb -0.17 -2.91 0.32 0.00 1.34 0.00 0.00 72.50 71.08 3i9l s THR 96 CO 0.15 -0.09 2.08 0.25 -0.54 0.00 0.00 174.62 176.46 3i9l h LEU 97 N 1.65 0.05 0.00 4.79 5.85 -1.98 -0.77 115.31 124.90 3i9l h LEU 97 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3i9l h LEU 97 Cb 1.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3i9l h LEU 97 CO 0.70 0.03 0.00 -0.62 -0.34 0.00 0.00 178.44 178.21 3i9l n GLU 98 N -4.47 0.03 0.00 1.25 4.71 -1.26 -1.69 120.64 119.21 3i9l n GLU 98 Ca 0.03 0.16 0.11 0.00 -0.01 0.00 0.00 57.16 57.45 3i9l n GLU 98 Cb 0.31 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.29 3i9l n GLU 98 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3i9l n ASP 99 N -1.48 0.79 -4.87 1.62 8.00 -0.30 -2.89 116.55 117.42 3i9l n ASP 99 Ca 0.05 -0.67 -0.31 0.00 0.71 0.00 0.00 54.79 54.58 3i9l n ASP 99 Cb 0.22 0.65 0.04 0.00 -0.02 0.00 0.00 41.12 42.00 3i9l n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i9l s THR 100 N -2.99 3.99 0.13 -3.53 -4.23 -0.68 -4.78 115.64 103.55 3i9l s THR 100 Ca 0.10 0.64 -0.22 0.00 -1.18 0.00 0.00 61.69 61.03 3i9l s THR 100 Cb 0.17 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 3i9l s THR 100 CO 0.79 -0.84 1.66 0.25 -0.54 0.00 0.00 174.62 175.94 3i9l h LEU 101 N -0.56 -0.51 -0.37 4.79 5.85 -1.86 0.20 115.31 122.85 3i9l h LEU 101 Ca -0.45 0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.20 3i9l h LEU 101 Cb 1.23 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 3i9l h LEU 101 CO 0.62 -0.21 -0.49 1.55 -0.34 0.00 0.00 178.44 179.57 3i9l h PRO 102 N -0.20 0.85 -0.88 5.25 0.13 -1.88 -0.90 132.00 134.37 3i9l h PRO 102 Ca 0.10 -0.50 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3i9l h PRO 102 Cb 0.35 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.48 3i9l h PRO 102 CO -0.26 1.14 0.45 0.78 -0.23 0.00 0.00 178.00 179.88 3i9l h GLY 103 N 0.78 1.33 0.94 1.56 0.00 -1.59 -2.40 103.07 103.68 3i9l h GLY 103 Ca 0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 3i9l h GLY 103 CO 0.11 0.60 0.05 -1.82 0.00 0.00 0.00 176.54 175.49 3i9l h TYR 104 N 1.24 0.73 -0.84 5.60 5.03 -0.40 -0.37 116.97 127.96 3i9l h TYR 104 Ca 0.31 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 3i9l h TYR 104 Cb 0.07 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.11 3i9l h TYR 104 CO 0.01 0.72 0.48 0.52 -1.32 0.00 0.00 178.16 178.58 3i9l h MET 105 N 0.53 1.15 -0.02 1.82 2.86 -1.04 -3.23 114.93 116.99 3i9l h MET 105 Ca 0.12 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i9l h MET 105 Cb 0.39 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3i9l h MET 105 CO 0.01 0.82 0.00 1.28 1.06 0.00 0.00 176.91 180.08 3i9l n LEU 106 N -4.42 2.40 -4.65 1.22 7.99 -0.92 -4.77 117.00 113.85 3i9l n LEU 106 Ca 0.08 -1.00 -0.49 0.00 -0.01 0.00 0.00 56.01 54.59 3i9l n LEU 106 Cb 0.07 -0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.33 3i9l n LEU 106 CO 0.38 0.42 1.16 -3.20 -1.51 0.00 0.00 177.39 174.64 3i9l n ASN 107 N 0.94 2.67 0.00 -1.43 5.15 -0.15 -1.40 115.26 121.03 3i9l n ASN 107 Ca 0.10 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 3i9l n ASN 107 Cb 0.42 -1.33 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 3i9l n ASN 107 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3i9l n SER 108 N 3.76 0.00 -4.91 1.20 7.64 -1.26 -5.00 113.62 115.06 3i9l n SER 108 Ca 0.19 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.80 3i9l n SER 108 Cb 0.25 -0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 3i9l n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i9l s LEU 109 N 0.00 3.63 -0.06 -3.43 1.43 -0.49 -5.01 118.68 114.75 3i9l s LEU 109 Ca 0.00 0.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 3i9l s LEU 109 Cb 0.00 -3.88 0.02 0.00 0.03 0.00 0.00 46.19 42.36 3i9l s LEU 109 CO 0.00 -0.57 -0.07 -0.69 0.23 0.00 0.00 176.35 175.25 3i9l s VAL 110 N -2.73 0.74 0.16 -1.59 1.01 -1.26 -4.97 120.40 111.75 3i9l s VAL 110 Ca 0.47 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 3i9l s VAL 110 Cb -0.10 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.58 3i9l s VAL 110 CO 0.45 0.28 0.47 -1.66 0.00 0.00 0.00 175.10 174.63 3i9l s TRP 111 N 0.93 -0.20 0.03 5.22 -2.14 -1.26 -0.83 118.94 120.70 3i9l s TRP 111 Ca -0.10 -0.11 -0.27 0.00 2.66 0.00 0.00 56.10 58.27 3i9l s TRP 111 Cb -0.15 0.34 0.09 0.00 -3.10 0.00 0.00 33.47 30.65 3i9l s TRP 111 CO 0.00 -0.80 0.77 0.00 -2.66 0.00 0.00 176.95 174.27 3i9l s GLY 113 N -2.30 1.65 0.06 0.00 0.00 -1.25 -1.06 107.32 104.43 3i9l s GLY 113 Ca 0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 44.72 44.57 3i9l s GLY 113 CO -0.07 0.20 0.10 -0.86 0.00 0.00 0.00 173.10 172.47 3i9l s GLN 114 N -5.18 0.71 0.11 2.90 -2.07 -0.49 -3.11 119.66 112.53 3i9l s GLN 114 Ca 0.56 -0.97 -0.08 0.00 -1.82 0.00 0.00 55.36 53.06 3i9l s GLN 114 Cb -0.12 0.28 -0.14 0.00 -1.09 0.00 0.00 33.01 31.94 3i9l s GLN 114 CO 0.54 -0.19 1.27 0.00 -1.32 0.00 0.00 175.29 175.59 3i9l h ARG 115 N 3.11 0.52 -7.08 9.60 3.08 -1.79 -2.79 114.38 119.02 3i9l h ARG 115 Ca -0.34 -0.55 -0.49 0.00 0.07 0.00 0.00 59.98 58.68 3i9l h ARG 115 Cb 1.18 0.15 0.05 0.00 0.08 0.00 0.00 29.97 31.43 3i9l h ARG 115 CO 0.57 1.18 0.41 0.00 -1.07 0.00 0.00 179.97 181.06 3i9l s ALA 116 N -3.30 2.78 0.32 0.04 0.00 -1.26 -4.62 121.76 115.71 3i9l s ALA 116 Ca -0.07 0.70 -0.27 0.00 0.00 0.00 0.00 51.96 52.32 3i9l s ALA 116 Cb 0.08 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.76 3i9l s ALA 116 CO 0.89 -0.56 0.96 -1.71 0.00 0.00 0.00 175.76 175.34 3i9l n ASN 117 N -1.18 1.04 -0.79 0.00 2.85 -1.26 -0.48 115.26 115.45 3i9l n ASN 117 Ca 0.10 1.13 0.04 0.00 -0.11 0.00 0.00 54.58 55.75 3i9l n ASN 117 Cb 0.52 -1.28 0.15 0.00 1.24 0.00 0.00 39.78 40.41 3i9l n ASN 117 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3i9l n PRO 118 N 0.63 2.10 -0.09 1.20 -0.04 -1.26 -4.90 135.00 132.64 3i9l n PRO 118 Ca 0.10 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 3i9l n PRO 118 Cb 0.34 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 3i9l n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9l n GLY 119 N 0.69 0.69 3.14 0.55 0.00 0.36 -4.84 105.19 105.77 3i9l n GLY 119 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 3i9l n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i9l s PHE 120 N -2.33 0.28 -0.30 1.61 -0.71 -1.26 -1.17 117.98 114.11 3i9l s PHE 120 Ca 0.00 -0.71 -0.12 0.00 -1.04 0.00 0.00 56.93 55.06 3i9l s PHE 120 Cb 0.00 -0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 3i9l s PHE 120 CO 0.00 -0.43 0.24 1.21 -1.34 0.00 0.00 175.22 174.90 3i9l s ASN 121 N -2.61 6.07 0.00 1.98 3.84 -0.22 -4.66 114.94 119.35 3i9l s ASN 121 Ca 0.02 -0.08 0.26 0.00 0.21 0.00 0.00 52.86 53.27 3i9l s ASN 121 Cb 0.04 -2.14 0.68 0.00 -0.55 0.00 0.00 41.25 39.27 3i9l s ASN 121 CO -0.08 -0.14 1.53 -0.62 -2.79 0.00 0.00 177.10 175.01 3i9l n GLU 122 N 5.13 1.93 -0.08 0.43 1.02 -1.26 -4.46 120.64 123.37 3i9l n GLU 122 Ca -0.13 -1.37 -0.13 0.00 -0.02 0.00 0.00 57.16 55.51 3i9l n GLU 122 Cb 0.51 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.40 3i9l n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i9l n LYS 123 N 0.66 0.36 -3.69 3.49 5.02 -1.26 -4.72 118.16 118.02 3i9l n LYS 123 Ca 0.17 0.11 -0.13 0.00 -2.02 0.00 0.00 58.31 56.44 3i9l n LYS 123 Cb 0.46 -1.20 -0.09 0.00 -0.02 0.00 0.00 35.03 34.19 3i9l n LYS 123 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i9l s VAL 124 N -2.29 -0.00 0.11 -0.18 0.11 -1.26 -4.43 120.40 112.45 3i9l s VAL 124 Ca -0.21 0.01 0.09 0.00 -2.93 0.00 0.00 61.98 58.94 3i9l s VAL 124 Cb 0.07 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 3i9l s VAL 124 CO 0.31 0.00 -0.23 0.00 -3.33 0.00 0.00 175.10 171.85 3i9l n PRO 126 N 1.07 2.31 0.30 0.00 -0.02 -1.26 0.52 135.00 137.92 3i9l n PRO 126 Ca -0.19 0.82 0.11 0.00 -2.02 0.00 0.00 63.50 62.22 3i9l n PRO 126 Cb 0.53 -2.59 0.61 0.00 -0.02 0.00 0.00 33.50 32.03 3i9l n PRO 126 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3i9l h ASP 127 N 2.43 0.00 0.00 2.55 3.58 -1.98 -3.41 116.42 119.59 3i9l h ASP 127 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 3i9l h ASP 127 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 3i9l h ASP 127 CO 0.62 0.00 0.00 0.49 -2.88 0.00 0.00 179.24 177.47 3i9l n PHE 128 N -2.67 0.00 0.00 0.28 3.01 -1.26 -4.34 117.46 112.48 3i9l n PHE 128 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3i9l n PHE 128 Cb 0.47 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 3i9l n PHE 128 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i9l n LYS 129 N -0.89 0.00 0.06 -1.08 5.02 -1.26 -1.59 118.16 118.42 3i9l n LYS 129 Ca 0.00 0.44 -0.01 0.00 -2.02 0.00 0.00 58.31 56.72 3i9l n LYS 129 Cb 0.00 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.42 3i9l n LYS 129 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i9l h THR 130 N 0.00 0.74 -3.40 -0.18 1.03 -1.91 -3.48 112.91 105.71 3i9l h THR 130 Ca 0.00 -2.24 -0.50 0.00 -0.01 0.00 0.00 66.41 63.67 3i9l h THR 130 Cb 0.06 2.25 0.01 0.00 -1.07 0.00 0.00 68.15 69.39 3i9l h THR 130 CO 0.00 0.42 0.00 0.00 -0.01 0.00 0.00 175.52 175.93 3i9l n PRO 132 N -1.57 0.15 -0.34 0.00 -0.02 -1.26 -4.52 135.00 127.45 3i9l n PRO 132 Ca -0.00 0.13 0.06 0.00 -2.02 0.00 0.00 63.50 61.67 3i9l n PRO 132 Cb 0.55 -2.44 0.22 0.00 -0.02 0.00 0.00 33.50 31.81 3i9l n PRO 132 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3i9l h VAL 133 N -0.96 0.90 0.00 -1.45 3.04 -1.97 0.12 116.25 115.93 3i9l h VAL 133 Ca -0.46 -0.31 -0.04 0.00 -1.01 0.00 0.00 66.70 64.88 3i9l h VAL 133 Cb 1.30 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 3i9l h VAL 133 CO 0.46 0.16 -0.19 0.06 -1.01 0.00 0.00 177.57 177.05 3i9l h GLN 134 N 0.90 0.00 0.01 4.17 -0.00 -1.89 -0.80 115.11 117.50 3i9l h GLN 134 Ca 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 59.08 3i9l h GLN 134 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.95 3i9l h GLN 134 CO -0.27 0.19 -0.21 0.00 -0.00 0.00 0.00 178.83 178.54 3i9l h ALA 135 N 1.81 0.02 -0.60 0.06 0.00 -1.01 -2.57 119.26 116.98 3i9l h ALA 135 Ca -0.00 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.38 3i9l h ALA 135 Cb 0.41 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3i9l h ALA 135 CO 0.02 0.11 0.40 -0.09 0.00 0.00 0.00 179.25 179.69 3i9l h ARG 136 N -0.95 0.52 -0.35 0.00 2.43 -1.14 -2.05 114.38 112.85 3i9l h ARG 136 Ca -0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3i9l h ARG 136 Cb 1.09 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3i9l h ARG 136 CO -0.01 0.34 0.00 0.39 -1.51 0.00 0.00 179.97 179.18 3i9l n GLU 137 N -4.48 2.39 -0.04 0.20 1.02 -0.32 -4.60 120.64 114.81 3i9l n GLU 137 Ca 0.09 -2.09 -0.08 0.00 -0.02 0.00 0.00 57.16 55.06 3i9l n GLU 137 Cb 0.27 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 3i9l n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i9l h SER 138 N 4.12 -0.48 0.14 1.62 0.87 -0.93 0.17 113.55 119.07 3i9l h SER 138 Ca 0.00 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3i9l h SER 138 Cb 0.91 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3i9l h SER 138 CO 0.00 -0.19 -0.07 0.15 -0.53 0.00 0.00 176.83 176.19 3i9l h PHE 139 N -0.14 -0.18 0.00 2.24 3.57 -1.81 -2.99 116.94 117.63 3i9l h PHE 139 Ca 0.12 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3i9l h PHE 139 Cb 0.33 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3i9l h PHE 139 CO -0.31 -0.11 -0.23 -1.49 -2.23 0.00 0.00 178.31 173.95 3i9l h TRP 140 N -0.67 0.00 -0.09 0.41 4.06 -1.86 -0.18 115.95 117.62 3i9l h TRP 140 Ca -0.02 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 3i9l h TRP 140 Cb 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 3i9l h TRP 140 CO 0.02 0.23 -0.05 0.78 -3.56 0.00 0.00 178.44 175.85 3i9l h GLY 141 N 2.08 0.22 1.59 1.49 0.00 -0.80 -0.63 103.07 107.01 3i9l h GLY 141 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 3i9l h GLY 141 CO 0.03 0.18 -0.11 1.98 0.00 0.00 0.00 176.54 178.62 3i9l h MET 142 N -0.18 0.50 -0.30 4.80 1.85 -1.34 -0.22 114.93 120.04 3i9l h MET 142 Ca 0.02 -0.14 0.03 0.00 -0.61 0.00 0.00 59.70 59.00 3i9l h MET 142 Cb 0.52 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.46 3i9l h MET 142 CO 0.02 0.61 0.11 0.00 -0.40 0.00 0.00 176.91 177.25 3i9l h ALA 143 N 1.42 0.34 -0.50 0.39 0.00 -0.87 -0.63 119.26 119.40 3i9l h ALA 143 Ca 0.09 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3i9l h ALA 143 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3i9l h ALA 143 CO 0.03 -0.29 -0.05 0.77 0.00 0.00 0.00 179.25 179.71 3i9l h SER 144 N 0.25 0.92 -0.29 0.00 0.02 -0.81 -1.53 113.55 112.10 3i9l h SER 144 Ca 0.13 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3i9l h SER 144 Cb 0.09 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3i9l h SER 144 CO -0.13 1.03 0.18 0.28 -1.14 0.00 0.00 176.83 177.05 3i9l h SER 145 N 0.78 0.34 -0.44 3.07 0.02 -0.76 -0.58 113.55 115.99 3i9l h SER 145 Ca 0.14 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 3i9l h SER 145 Cb 0.59 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3i9l h SER 145 CO 0.04 0.27 -0.23 -1.28 -1.14 0.00 0.00 176.83 174.48 3i9l h SER 146 N 0.37 0.96 -0.38 3.07 0.87 -1.04 -0.47 113.55 116.93 3i9l h SER 146 Ca 0.10 -0.41 -0.04 0.00 -1.23 0.00 0.00 61.79 60.22 3i9l h SER 146 Cb -0.01 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 3i9l h SER 146 CO -0.02 1.16 0.09 0.22 -0.53 0.00 0.00 176.83 177.75 3i9l h TYR 147 N 0.76 0.63 -0.74 2.24 3.20 -1.23 -2.69 116.97 119.15 3i9l h TYR 147 Ca 0.09 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3i9l h TYR 147 Cb 0.81 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 3i9l h TYR 147 CO 0.06 0.62 0.33 0.00 -1.64 0.00 0.00 178.16 177.53 3i9l h ALA 148 N 0.94 0.95 -0.26 1.82 0.00 -0.91 -1.84 119.26 119.96 3i9l h ALA 148 Ca 0.12 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3i9l h ALA 148 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3i9l h ALA 148 CO 0.00 0.54 0.18 1.25 0.00 0.00 0.00 179.25 181.22 3i9l h HIS 149 N 1.04 0.21 -0.00 0.00 -0.00 -0.92 -2.23 115.15 113.25 3i9l h HIS 149 Ca 0.25 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 3i9l h HIS 149 Cb 0.15 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 3i9l h HIS 149 CO 0.01 0.12 -0.31 0.43 -0.00 0.00 0.00 177.93 178.19 3i9l n SER 150 N -4.49 0.46 -4.77 3.26 7.64 -0.72 -4.72 113.62 110.27 3i9l n SER 150 Ca 0.02 -0.23 -0.39 0.00 1.01 0.00 0.00 58.87 59.28 3i9l n SER 150 Cb 0.18 0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 3i9l n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i9l s ALA 151 N -2.86 3.24 0.03 -0.43 0.00 -0.84 -4.24 121.76 116.67 3i9l s ALA 151 Ca 0.16 0.90 0.02 0.00 0.00 0.00 0.00 51.96 53.04 3i9l s ALA 151 Cb 0.18 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3i9l s ALA 151 CO 0.61 -0.34 -0.08 -1.21 0.00 0.00 0.00 175.76 174.74 3i9l s GLU 152 N -2.04 0.54 4.15 0.00 2.02 -1.26 -4.33 118.70 117.78 3i9l s GLU 152 Ca 0.53 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.89 3i9l s GLU 152 Cb -0.30 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.55 3i9l s GLU 152 CO 0.38 0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.15 3i9l n GLY 153 N 1.86 0.61 3.71 -1.39 0.00 0.22 -1.25 105.19 108.95 3i9l n GLY 153 Ca -0.20 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 3i9l n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9l s GLU 154 N 0.00 4.56 0.12 1.61 2.02 -1.26 -0.92 118.70 124.83 3i9l s GLU 154 Ca 0.00 1.49 0.08 0.00 0.02 0.00 0.00 54.97 56.56 3i9l s GLU 154 Cb 0.00 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 3i9l s GLU 154 CO 0.00 -0.05 -0.14 0.14 0.02 0.00 0.00 175.26 175.23 3i9l s VAL 155 N 0.88 3.08 0.02 2.63 -7.23 -0.13 -3.85 120.40 115.80 3i9l s VAL 155 Ca 0.52 -1.46 0.07 0.00 -1.81 0.00 0.00 61.98 59.31 3i9l s VAL 155 Cb -0.23 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 3i9l s VAL 155 CO 0.29 0.06 -0.21 -0.89 -0.31 0.00 0.00 175.10 174.04 3i9l s THR 156 N -1.27 2.55 -0.11 5.32 2.01 -0.36 -0.19 115.64 123.59 3i9l s THR 156 Ca 0.20 -1.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 3i9l s THR 156 Cb -0.10 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.42 3i9l s THR 156 CO 0.12 0.42 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.99 3i9l s TYR 157 N -0.82 0.91 -0.18 4.92 5.04 0.40 -0.43 117.35 127.19 3i9l s TYR 157 Ca 0.13 -0.43 -0.08 0.00 -2.44 0.00 0.00 57.07 54.24 3i9l s TYR 157 Cb -0.10 -0.94 -0.04 0.00 0.35 0.00 0.00 41.96 41.23 3i9l s TYR 157 CO 0.03 -0.42 0.09 1.41 -1.34 0.00 0.00 175.55 175.31 3i9l s MET 158 N 1.89 4.01 0.24 4.97 -2.45 -0.36 -0.60 119.30 127.01 3i9l s MET 158 Ca 0.04 -0.28 0.04 0.00 -1.25 0.00 0.00 55.69 54.24 3i9l s MET 158 Cb -0.13 -3.28 -0.05 0.00 1.25 0.00 0.00 34.83 32.61 3i9l s MET 158 CO -0.06 0.33 -0.02 0.14 1.05 0.00 0.00 175.02 176.45 3i9l s VAL 159 N 0.25 1.22 -0.30 10.11 -7.23 -0.24 -1.72 120.40 122.48 3i9l s VAL 159 Ca 0.06 -2.06 -0.19 0.00 -1.81 0.00 0.00 61.98 57.98 3i9l s VAL 159 Cb -0.12 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 3i9l s VAL 159 CO -0.00 -0.33 0.55 -0.62 -0.31 0.00 0.00 175.10 174.38 3i9l s ASP 160 N -3.34 6.41 -0.07 4.85 -1.08 -1.23 -0.95 116.67 121.26 3i9l s ASP 160 Ca 0.28 0.32 0.19 0.00 -0.52 0.00 0.00 52.55 52.83 3i9l s ASP 160 Cb 0.05 -2.29 0.67 0.00 -1.46 0.00 0.00 42.92 39.89 3i9l s ASP 160 CO 0.09 -0.40 1.57 0.61 0.52 0.00 0.00 175.17 177.56 3i9l n GLY 161 N 4.53 2.49 0.25 2.66 0.00 0.34 -3.88 105.19 111.58 3i9l n GLY 161 Ca -0.03 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.25 3i9l n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i9l n SER 162 N 1.27 1.42 -4.34 1.61 7.64 -1.24 -0.94 113.62 119.03 3i9l n SER 162 Ca 0.24 -2.67 -0.39 0.00 1.01 0.00 0.00 58.87 57.07 3i9l n SER 162 Cb 0.76 -0.34 -0.12 0.00 -1.01 0.00 0.00 64.21 63.51 3i9l n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3i9l s ASN 163 N -2.14 5.54 0.01 6.43 3.84 -1.26 -4.79 114.94 122.56 3i9l s ASN 163 Ca 0.20 -1.00 0.20 0.00 0.21 0.00 0.00 52.86 52.47 3i9l s ASN 163 Cb 0.17 -1.96 0.86 0.00 -0.55 0.00 0.00 41.25 39.77 3i9l s ASN 163 CO 0.02 -0.34 1.64 -0.81 -2.79 0.00 0.00 177.10 174.82 3i9l n PRO 164 N 4.92 0.01 -0.01 0.43 -0.04 -1.26 -3.15 135.00 135.90 3i9l n PRO 164 Ca -0.12 0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.59 3i9l n PRO 164 Cb 0.46 -1.52 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 3i9l n PRO 164 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i9l n LYS 165 N -1.54 0.64 -3.70 0.54 5.02 -1.26 -4.93 118.16 112.93 3i9l n LYS 165 Ca 0.05 -0.14 -0.23 0.00 -2.02 0.00 0.00 58.31 55.96 3i9l n LYS 165 Cb 0.24 -1.43 -0.17 0.00 -0.02 0.00 0.00 35.03 33.65 3i9l n LYS 165 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9l s VAL 166 N -3.20 0.17 0.77 -0.18 1.01 -1.19 -5.13 120.40 112.66 3i9l s VAL 166 Ca -0.05 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 3i9l s VAL 166 Cb 0.12 -0.51 0.05 0.00 0.00 0.00 0.00 36.38 36.03 3i9l s VAL 166 CO 0.77 0.05 1.08 -2.65 0.00 0.00 0.00 175.10 174.35 3i9l n PRO 167 N 5.20 0.34 -0.12 2.72 -0.02 -1.26 -4.57 135.00 137.30 3i9l n PRO 167 Ca -0.06 0.18 -0.06 0.00 -2.02 0.00 0.00 63.50 61.54 3i9l n PRO 167 Cb 0.49 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 3i9l n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9l h ALA 168 N -0.60 0.47 -3.85 3.55 0.00 -1.90 -3.40 119.26 113.54 3i9l h ALA 168 Ca -0.47 0.03 -0.68 0.00 0.00 0.00 0.00 54.91 53.79 3i9l h ALA 168 Cb 1.31 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.77 3i9l h ALA 168 CO 0.46 -0.21 -0.88 -0.47 0.00 0.00 0.00 179.25 178.15 3i9l s TYR 169 N -6.15 2.41 0.00 0.00 5.04 -1.26 -4.54 117.35 112.85 3i9l s TYR 169 Ca -0.13 -0.78 -0.09 0.00 -2.44 0.00 0.00 57.07 53.63 3i9l s TYR 169 Cb 0.12 -1.59 0.01 0.00 0.35 0.00 0.00 41.96 40.85 3i9l s TYR 169 CO 0.72 -0.26 0.17 -0.98 -1.34 0.00 0.00 175.55 173.86 3i9l s ARG 170 N -0.03 0.54 0.46 4.97 1.70 -1.26 -4.81 118.95 120.52 3i9l s ARG 170 Ca -0.07 -0.39 0.31 0.00 -0.47 0.00 0.00 55.73 55.11 3i9l s ARG 170 Cb -0.15 0.23 1.32 0.00 -0.57 0.00 0.00 34.95 35.78 3i9l s ARG 170 CO 0.05 -0.14 1.92 -1.00 -1.08 0.00 0.00 175.30 175.05 3i9l h PRO 171 N 4.11 0.00 -0.50 3.89 0.13 -1.99 -2.82 132.00 134.81 3i9l h PRO 171 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3i9l h PRO 171 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3i9l h PRO 171 CO 0.41 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.78 3i9l n ASP 172 N -2.78 3.42 -4.79 1.44 5.75 -1.26 -2.36 116.55 115.97 3i9l n ASP 172 Ca 0.01 -1.98 -0.29 0.00 -0.01 0.00 0.00 54.79 52.52 3i9l n ASP 172 Cb 0.25 -0.33 0.13 0.00 -1.03 0.00 0.00 41.12 40.14 3i9l n ASP 172 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3i9l s SER 173 N -1.28 3.61 0.23 -1.12 1.04 -1.06 -4.76 113.70 110.36 3i9l s SER 173 Ca 0.41 0.97 -0.08 0.00 0.48 0.00 0.00 55.95 57.74 3i9l s SER 173 Cb 0.23 -1.55 0.21 0.00 0.10 0.00 0.00 66.02 65.01 3i9l s SER 173 CO 0.31 -2.49 1.90 -0.26 0.98 0.00 0.00 173.24 173.68 3i9l h PHE 174 N -1.45 1.15 -0.34 5.02 -1.00 -1.92 -0.45 116.94 117.95 3i9l h PHE 174 Ca -0.50 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.24 3i9l h PHE 174 Cb 1.33 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 3i9l h PHE 174 CO 0.30 0.74 -0.00 0.35 -1.61 0.00 0.00 178.31 178.09 3i9l h PHE 175 N 1.23 0.65 -0.23 -0.55 3.57 -1.90 0.61 116.94 120.32 3i9l h PHE 175 Ca 0.33 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3i9l h PHE 175 Cb -0.11 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 3i9l h PHE 175 CO -0.00 0.71 -0.05 0.78 -2.23 0.00 0.00 178.31 177.51 3i9l h GLY 176 N 0.41 0.39 0.43 2.40 0.00 -1.58 0.11 103.07 105.23 3i9l h GLY 176 Ca 0.10 -0.22 -0.36 0.00 0.00 0.00 0.00 47.33 46.84 3i9l h GLY 176 CO 0.02 0.21 -2.13 1.17 0.00 0.00 0.00 176.54 175.80 3i9l n LYS 177 N -4.30 0.71 -0.00 4.80 4.81 -0.21 -4.48 118.16 119.48 3i9l n LYS 177 Ca 0.00 0.22 0.02 0.00 -0.87 0.00 0.00 58.31 57.68 3i9l n LYS 177 Cb 0.24 -1.65 -0.03 0.00 0.02 0.00 0.00 35.03 33.61 3i9l n LYS 177 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3i9l n TYR 178 N -3.32 0.00 0.00 5.64 4.01 0.17 -4.67 117.16 118.98 3i9l n TYR 178 Ca -0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 3i9l n TYR 178 Cb 1.04 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 3i9l n TYR 178 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i9l n GLY 179 N 2.25 -0.06 0.28 2.72 0.00 0.17 -3.66 105.19 106.90 3i9l n GLY 179 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3i9l n GLY 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i9l h LEU 180 N 0.00 0.24 -1.24 0.99 5.85 -1.18 -0.52 115.31 119.46 3i9l h LEU 180 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3i9l h LEU 180 Cb 0.00 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3i9l h LEU 180 CO 0.00 0.06 0.00 -0.65 -0.34 0.00 0.00 178.44 177.51 3i9l h PRO 181 N 0.41 0.00 -0.25 5.25 0.11 -1.80 -2.63 132.00 133.09 3i9l h PRO 181 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3i9l h PRO 181 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3i9l h PRO 181 CO -0.45 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.43 3i9l n ASN 182 N -2.56 2.95 -4.75 -2.05 3.02 -0.23 -4.95 115.26 106.69 3i9l n ASN 182 Ca 0.01 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 3i9l n ASN 182 Cb 0.21 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 3i9l n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i9l s LEU 183 N -1.31 4.44 0.00 3.41 1.43 -0.99 -3.39 118.68 122.26 3i9l s LEU 183 Ca 0.29 2.49 0.06 0.00 -1.03 0.00 0.00 54.13 55.94 3i9l s LEU 183 Cb 0.17 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.83 3i9l s LEU 183 CO 0.24 -0.48 0.53 0.35 0.23 0.00 0.00 176.35 177.22 3i9l n THR 184 N 1.83 0.00 0.79 5.49 -2.24 -1.26 -4.98 114.28 113.91 3i9l n THR 184 Ca 0.03 -1.51 0.08 0.00 -2.27 0.00 0.00 64.05 60.38 3i9l n THR 184 Cb 0.43 -0.51 0.42 0.00 -2.10 0.00 0.00 70.33 68.57 3i9l n THR 184 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i9l n ASN 185 N -2.34 0.00 0.17 3.42 6.94 -1.26 -1.52 115.26 120.67 3i9l n ASN 185 Ca 0.09 0.03 0.14 0.00 -0.02 0.00 0.00 54.58 54.82 3i9l n ASN 185 Cb 0.46 -0.28 0.50 0.00 -2.36 0.00 0.00 39.78 38.10 3i9l n ASN 185 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3i9l h LYS 186 N 0.00 0.00 -6.40 -3.83 1.57 -1.94 -3.44 116.57 102.53 3i9l h LYS 186 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3i9l h LYS 186 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3i9l h LYS 186 CO 0.00 0.00 0.11 0.08 -0.57 0.00 0.00 179.45 179.07 3i9l s VAL 187 N -3.36 4.53 -0.03 0.50 1.01 -0.57 -0.61 120.40 121.87 3i9l s VAL 187 Ca 0.05 1.55 0.07 0.00 0.00 0.00 0.00 61.98 63.64 3i9l s VAL 187 Cb 0.09 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 3i9l s VAL 187 CO 0.50 0.51 0.11 0.35 0.00 0.00 0.00 175.10 176.57 3i9l n THR 188 N 1.82 0.13 -3.62 3.92 -2.24 -0.10 -4.83 114.28 109.36 3i9l n THR 188 Ca -0.07 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 3i9l n THR 188 Cb 0.49 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.65 3i9l n THR 188 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i9l s ARG 189 N -2.38 0.81 -0.21 -0.78 3.52 -1.25 -1.20 118.95 117.47 3i9l s ARG 189 Ca -0.03 0.82 -0.04 0.00 -0.13 0.00 0.00 55.73 56.36 3i9l s ARG 189 Cb 0.04 0.39 -0.01 0.00 -1.56 0.00 0.00 34.95 33.81 3i9l s ARG 189 CO 0.28 -0.13 -0.04 0.08 -0.81 0.00 0.00 175.30 174.69 3i9l s VAL 190 N 0.12 3.51 -0.29 7.11 1.01 -0.25 -0.95 120.40 130.65 3i9l s VAL 190 Ca -0.01 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 3i9l s VAL 190 Cb -0.04 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3i9l s VAL 190 CO 0.01 0.43 0.07 -0.54 0.00 0.00 0.00 175.10 175.07 3i9l s LYS 191 N 1.30 3.09 -0.09 2.72 1.02 0.73 -2.05 119.74 126.46 3i9l s LYS 191 Ca 0.04 -0.86 -0.11 0.00 0.02 0.00 0.00 55.97 55.06 3i9l s LYS 191 Cb -0.14 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.78 3i9l s LYS 191 CO -0.01 -0.43 0.26 0.08 -0.92 0.00 0.00 175.35 174.33 3i9l s VAL 192 N 1.49 5.30 -0.19 3.17 1.01 0.72 -0.45 120.40 131.44 3i9l s VAL 192 Ca 0.02 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.50 3i9l s VAL 192 Cb -0.17 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.67 3i9l s VAL 192 CO 0.02 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 174.88 3i9l s ILE 193 N -0.70 2.28 -0.28 2.22 1.01 0.24 -1.18 121.20 124.79 3i9l s ILE 193 Ca 0.18 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3i9l s ILE 193 Cb -0.14 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3i9l s ILE 193 CO 0.07 0.48 0.18 -0.69 0.00 0.00 0.00 174.94 174.98 3i9l s VAL 194 N 1.31 5.18 -0.15 2.92 1.01 0.36 -1.08 120.40 129.95 3i9l s VAL 194 Ca 0.04 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.84 3i9l s VAL 194 Cb -0.14 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3i9l s VAL 194 CO -0.11 0.24 0.91 -0.22 0.00 0.00 0.00 175.10 175.92 3i9l s LEU 195 N 1.74 4.19 -0.42 3.92 0.20 -0.13 -1.17 118.68 127.01 3i9l s LEU 195 Ca 0.07 1.32 -0.04 0.00 0.69 0.00 0.00 54.13 56.17 3i9l s LEU 195 Cb -0.16 -3.38 0.11 0.00 -0.43 0.00 0.00 46.19 42.33 3i9l s LEU 195 CO 0.10 -0.44 0.23 -1.00 -0.29 0.00 0.00 176.35 174.95 3i9l s HIS 196 N 2.19 3.54 0.39 5.38 3.76 -1.26 -0.51 115.29 128.77 3i9l s HIS 196 Ca 0.42 -2.26 -0.28 0.00 -0.15 0.00 0.00 55.06 52.80 3i9l s HIS 196 Cb -0.17 -3.23 -0.10 0.00 1.11 0.00 0.00 32.58 30.19 3i9l s HIS 196 CO 0.14 -0.97 1.45 1.03 -0.85 0.00 0.00 174.74 175.54 3i9l s ARG 197 N 1.20 4.05 0.34 1.40 0.52 -1.26 -4.87 118.95 120.33 3i9l s ARG 197 Ca 0.07 2.49 -0.28 0.00 -0.52 0.00 0.00 55.73 57.48 3i9l s ARG 197 Cb -0.23 -2.91 -0.10 0.00 0.52 0.00 0.00 34.95 32.22 3i9l s ARG 197 CO -0.03 -0.54 1.28 -0.51 0.02 0.00 0.00 175.30 175.51 3i9l s LEU 198 N -2.19 4.40 0.00 2.53 1.43 -1.26 -2.36 118.68 121.23 3i9l s LEU 198 Ca 0.54 2.63 0.00 0.00 -1.03 0.00 0.00 54.13 56.27 3i9l s LEU 198 Cb -0.45 -3.70 0.00 0.00 0.03 0.00 0.00 46.19 42.08 3i9l s LEU 198 CO 0.60 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 177.25 3i9l n GLY 199 N 0.81 0.57 3.61 -3.19 0.00 -1.26 -5.01 105.19 100.72 3i9l n GLY 199 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3i9l n GLY 199 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9l s GLU 200 N -0.41 2.20 0.28 1.61 2.02 -1.00 -5.09 118.70 118.31 3i9l s GLU 200 Ca 0.00 -1.18 -0.30 0.00 0.02 0.00 0.00 54.97 53.51 3i9l s GLU 200 Cb 0.00 -2.25 -0.11 0.00 0.10 0.00 0.00 34.13 31.87 3i9l s GLU 200 CO 0.00 0.45 1.54 0.21 0.02 0.00 0.00 175.26 177.48 3i9l s LYS 201 N -2.80 4.17 -0.02 1.61 2.20 -1.26 -4.78 119.74 118.86 3i9l s LYS 201 Ca 0.25 2.48 -0.30 0.00 -0.36 0.00 0.00 55.97 58.04 3i9l s LYS 201 Cb -0.09 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.13 3i9l s LYS 201 CO 0.16 -0.55 1.31 0.42 -0.36 0.00 0.00 175.35 176.33 3i9l s ILE 202 N -0.04 3.95 -0.22 5.43 1.01 -1.26 -4.61 121.20 125.45 3i9l s ILE 202 Ca 0.61 1.31 -0.05 0.00 0.00 0.00 0.00 60.65 62.53 3i9l s ILE 202 Cb -0.46 -3.84 -0.12 0.00 0.01 0.00 0.00 42.46 38.05 3i9l s ILE 202 CO 0.47 0.00 -0.24 -0.38 0.00 0.00 0.00 174.94 174.79 3i9l n ILE 203 N 4.61 1.24 -4.41 2.92 2.08 -0.12 -5.01 119.36 120.66 3i9l n ILE 203 Ca 0.12 -0.39 -0.26 0.00 0.56 0.00 0.00 62.75 62.78 3i9l n ILE 203 Cb 0.45 -1.54 -0.13 0.00 -0.75 0.00 0.00 39.64 37.67 3i9l n ILE 203 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3i9l s GLU 204 N -2.42 1.28 0.06 0.38 2.02 -0.51 -5.02 118.70 114.49 3i9l s GLU 204 Ca -0.30 -1.17 0.02 0.00 0.02 0.00 0.00 54.97 53.54 3i9l s GLU 204 Cb 0.10 -1.58 -0.03 0.00 0.10 0.00 0.00 34.13 32.72 3i9l s GLU 204 CO 0.45 0.38 -0.08 0.15 0.02 0.00 0.00 175.26 176.18 3i9l s LYS 205 N -1.78 0.61 0.47 1.61 1.02 -1.26 -4.77 119.74 115.64 3i9l s LYS 205 Ca 0.09 -0.91 -0.23 0.00 0.02 0.00 0.00 55.97 54.95 3i9l s LYS 205 Cb -0.10 -0.28 -0.09 0.00 -0.52 0.00 0.00 37.83 36.85 3i9l s LYS 205 CO 0.04 0.03 0.98 0.00 -0.92 0.00 0.00 175.35 175.49 3i9l n GLY 207 N 1.22 0.47 3.27 0.00 0.00 -1.26 -4.98 105.19 103.92 3i9l n GLY 207 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 3i9l n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9l s ALA 208 N -1.98 -0.32 0.00 4.61 0.00 -1.05 -4.72 121.76 118.30 3i9l s ALA 208 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3i9l s ALA 208 Cb 0.00 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.75 3i9l s ALA 208 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.59 3i9l n GLY 209 N -0.14 2.66 0.27 0.00 0.00 -1.26 -1.92 105.19 104.81 3i9l n GLY 209 Ca -0.13 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 45.72 3i9l n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i9l h SER 210 N 7.06 0.00 0.59 1.61 4.64 -1.91 -2.20 113.55 123.33 3i9l h SER 210 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3i9l h SER 210 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3i9l h SER 210 CO 0.00 0.08 -0.63 -0.07 -0.87 0.00 0.00 176.83 175.34 3i9l h LEU 211 N 0.00 0.04 -0.47 5.97 3.38 -1.65 -0.75 115.31 121.83 3i9l h LEU 211 Ca -0.00 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 3i9l h LEU 211 Cb 0.42 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3i9l h LEU 211 CO 0.01 0.66 -0.56 0.25 0.09 0.00 0.00 178.44 178.89 3i9l h LEU 212 N 0.02 0.69 -0.45 1.67 5.85 -0.94 -0.63 115.31 121.52 3i9l h LEU 212 Ca -0.01 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 3i9l h LEU 212 Cb 1.12 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3i9l h LEU 212 CO 0.08 1.10 0.21 0.44 -0.34 0.00 0.00 178.44 179.94 3i9l h ASP 213 N 0.47 0.59 -0.59 1.25 3.32 -1.18 -1.18 116.42 119.10 3i9l h ASP 213 Ca 0.01 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3i9l h ASP 213 Cb 1.12 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 3i9l h ASP 213 CO 0.11 0.55 0.38 0.25 -1.72 0.00 0.00 179.24 178.81 3i9l h LEU 214 N 0.58 0.69 -0.56 1.55 5.85 -1.02 -2.00 115.31 120.41 3i9l h LEU 214 Ca 0.15 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3i9l h LEU 214 Cb 0.12 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3i9l h LEU 214 CO -0.02 0.52 0.26 -0.08 -0.34 0.00 0.00 178.44 178.79 3i9l h GLU 215 N 0.80 0.48 -0.51 1.25 4.81 -0.70 0.45 114.58 121.16 3i9l h GLU 215 Ca 0.22 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3i9l h GLU 215 Cb -0.06 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3i9l h GLU 215 CO -0.04 0.32 0.31 -0.22 -0.73 0.00 0.00 179.01 178.65 3i9l h LYS 216 N 0.50 0.61 -0.54 1.92 3.64 -0.96 -0.66 116.57 121.07 3i9l h LYS 216 Ca 0.26 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 3i9l h LYS 216 Cb 0.21 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3i9l h LYS 216 CO -0.20 0.40 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.30 3i9l h LEU 217 N 0.62 0.94 -0.41 5.20 3.38 -0.59 -1.28 115.31 123.18 3i9l h LEU 217 Ca 0.20 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3i9l h LEU 217 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3i9l h LEU 217 CO -0.08 1.02 0.12 0.58 0.09 0.00 0.00 178.44 180.17 3i9l h VAL 218 N 0.83 1.22 -0.30 1.22 2.07 -0.54 -2.78 116.25 117.97 3i9l h VAL 218 Ca 0.15 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 3i9l h VAL 218 Cb 0.54 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3i9l h VAL 218 CO 0.03 0.26 -0.14 0.11 0.02 0.00 0.00 177.57 177.85 3i9l h LYS 219 N 0.51 0.52 0.00 1.57 1.57 -1.04 -1.89 116.57 117.82 3i9l h LYS 219 Ca 0.13 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3i9l h LYS 219 Cb 0.27 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3i9l h LYS 219 CO -0.00 0.65 -0.05 0.00 -0.57 0.00 0.00 179.45 179.49 3i9l h ALA 220 N 1.37 1.10 -0.26 3.86 0.00 -0.96 0.55 119.26 124.93 3i9l h ALA 220 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i9l h ALA 220 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i9l h ALA 220 CO 0.03 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.97 3i9l n LYS 221 N -3.29 1.88 -2.17 0.00 5.02 -0.74 -4.92 118.16 113.94 3i9l n LYS 221 Ca -0.01 -1.34 -0.17 0.00 -2.02 0.00 0.00 58.31 54.76 3i9l n LYS 221 Cb 0.21 -1.39 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 3i9l n LYS 221 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i9l n HIS 222 N 0.56 -0.67 -3.65 2.13 8.25 0.18 -5.03 115.22 117.00 3i9l n HIS 222 Ca 0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.29 3i9l n HIS 222 Cb 0.37 -3.40 -0.05 0.00 1.12 0.00 0.00 29.99 28.03 3i9l n HIS 222 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3i9l s PHE 223 N -2.83 3.52 0.85 4.41 0.08 -1.06 -4.98 117.98 117.97 3i9l s PHE 223 Ca 0.00 0.64 -0.11 0.00 0.12 0.00 0.00 56.93 57.58 3i9l s PHE 223 Cb 0.00 -2.06 0.10 0.00 -0.57 0.00 0.00 43.02 40.50 3i9l s PHE 223 CO 0.00 0.47 1.09 0.00 -0.10 0.00 0.00 175.22 176.69 3i9l s ALA 224 N -1.54 1.79 -0.04 5.36 0.00 -0.34 -4.06 121.76 122.94 3i9l s ALA 224 Ca 0.37 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.44 3i9l s ALA 224 Cb -0.13 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3i9l s ALA 224 CO 0.22 -2.17 0.09 0.12 0.00 0.00 0.00 175.76 174.01 3i9l s PHE 225 N -2.88 -0.09 0.14 0.00 5.36 -1.26 -1.09 117.98 118.15 3i9l s PHE 225 Ca 0.63 0.27 -0.06 0.00 -0.96 0.00 0.00 56.93 56.81 3i9l s PHE 225 Cb -0.18 -0.03 -0.02 0.00 -0.34 0.00 0.00 43.02 42.45 3i9l s PHE 225 CO 0.57 -0.08 0.19 0.16 -1.46 0.00 0.00 175.22 174.60 3i9l s ASP 226 N 0.43 0.15 -0.19 6.13 1.47 -0.87 -4.99 116.67 118.80 3i9l s ASP 226 Ca -0.03 -0.97 -0.12 0.00 1.18 0.00 0.00 52.55 52.60 3i9l s ASP 226 Cb -0.05 0.37 0.06 0.00 -0.34 0.00 0.00 42.92 42.97 3i9l s ASP 226 CO -0.02 -0.82 0.47 0.00 0.68 0.00 0.00 175.17 175.49 3i9l s VAL 228 N 1.08 0.33 -0.19 0.00 0.11 -0.32 -4.96 120.40 116.44 3i9l s VAL 228 Ca -0.07 -0.70 -0.07 0.00 -2.93 0.00 0.00 61.98 58.22 3i9l s VAL 228 Cb -0.06 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 3i9l s VAL 228 CO -0.10 -0.25 0.06 -1.61 -3.33 0.00 0.00 175.10 169.88 3i9l s GLU 229 N -1.00 3.93 -1.25 1.54 2.02 -1.26 -0.49 118.70 122.18 3i9l s GLU 229 Ca -0.07 -0.37 -0.32 0.00 0.02 0.00 0.00 54.97 54.23 3i9l s GLU 229 Cb -0.07 -3.22 0.04 0.00 0.10 0.00 0.00 34.13 30.99 3i9l s GLU 229 CO -0.00 0.22 0.62 0.09 0.02 0.00 0.00 175.26 176.21 3i9l n ASN 230 N 3.71 -3.67 -4.61 -0.19 4.13 -0.32 -4.86 115.26 109.44 3i9l n ASN 230 Ca -0.16 -1.31 -0.37 0.00 1.68 0.00 0.00 54.58 54.42 3i9l n ASN 230 Cb 0.52 -1.63 0.07 0.00 -1.54 0.00 0.00 39.78 37.20 3i9l n ASN 230 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3i9l n PRO 231 N -5.05 0.72 -0.30 3.52 -0.04 -1.26 -4.44 135.00 128.15 3i9l n PRO 231 Ca -0.13 0.30 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 3i9l n PRO 231 Cb 0.57 -2.19 0.23 0.00 -0.04 0.00 0.00 33.50 32.07 3i9l n PRO 231 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9l h ARG 232 N 0.15 1.03 -0.89 0.54 3.08 -1.99 1.00 114.38 117.30 3i9l h ARG 232 Ca -0.48 -0.06 0.11 0.00 0.07 0.00 0.00 59.98 59.62 3i9l h ARG 232 Cb 1.35 -0.23 -0.08 0.00 0.08 0.00 0.00 29.97 31.09 3i9l h ARG 232 CO 0.49 0.68 0.52 0.00 -1.07 0.00 0.00 179.97 180.60 3i9l h ALA 233 N 1.50 1.32 0.05 0.04 0.00 -2.01 0.20 119.26 120.36 3i9l h ALA 233 Ca 0.38 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 3i9l h ALA 233 Cb 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i9l h ALA 233 CO -0.13 0.11 -0.63 0.28 0.00 0.00 0.00 179.25 178.88 3i9l h VAL 234 N 0.83 1.48 -0.77 0.00 2.07 -1.28 -3.16 116.25 115.42 3i9l h VAL 234 Ca 0.45 -2.23 0.14 0.00 0.82 0.00 0.00 66.70 65.88 3i9l h VAL 234 Cb 0.47 2.84 -0.10 0.00 -1.52 0.00 0.00 31.29 32.98 3i9l h VAL 234 CO -0.28 0.64 0.31 0.25 0.02 0.00 0.00 177.57 178.52 3i9l h LEU 235 N -0.25 0.30 -1.14 2.57 5.85 -0.41 -0.91 115.31 121.31 3i9l h LEU 235 Ca -0.09 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 3i9l h LEU 235 Cb 1.39 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 3i9l h LEU 235 CO 0.12 0.11 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.78 3i9l h PHE 236 N 0.46 0.25 -0.39 1.25 0.04 -1.03 0.11 116.94 117.62 3i9l h PHE 236 Ca 0.42 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 61.08 3i9l h PHE 236 Cb 0.64 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 3i9l h PHE 236 CO -0.16 0.50 -0.00 -0.07 -0.60 0.00 0.00 178.31 177.98 3i9l h LEU 237 N 0.20 0.68 -0.71 1.54 4.07 -1.18 -0.60 115.31 119.32 3i9l h LEU 237 Ca 0.03 -0.31 0.08 0.00 0.08 0.00 0.00 57.88 57.75 3i9l h LEU 237 Cb 0.63 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.12 3i9l h LEU 237 CO 0.05 0.83 0.38 -0.07 -1.08 0.00 0.00 178.44 178.54 3i9l h LEU 238 N 0.52 0.54 -1.10 1.67 3.38 -0.59 -2.66 115.31 117.06 3i9l h LEU 238 Ca 0.11 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3i9l h LEU 238 Cb 0.48 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3i9l h LEU 238 CO 0.02 0.33 -0.20 0.00 0.09 0.00 0.00 178.44 178.68 3i9l h SER 240 N 0.37 0.29 0.31 0.00 0.87 -0.74 -0.67 113.55 113.97 3i9l h SER 240 Ca 0.06 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3i9l h SER 240 Cb 0.56 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3i9l h SER 240 CO 0.04 0.21 -0.27 0.47 -0.53 0.00 0.00 176.83 176.75 3i9l n ASP 241 N -4.50 0.84 -2.83 6.23 8.00 -0.75 -4.44 116.55 119.09 3i9l n ASP 241 Ca 0.01 -0.71 -0.11 0.00 0.71 0.00 0.00 54.79 54.69 3i9l n ASP 241 Cb 0.07 0.11 0.03 0.00 -0.02 0.00 0.00 41.12 41.32 3i9l n ASP 241 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i9l n ASN 242 N -0.85 -2.24 0.12 -2.24 4.05 -0.40 -5.02 115.26 108.68 3i9l n ASN 242 Ca 0.11 -3.24 0.12 0.00 0.45 0.00 0.00 54.58 52.02 3i9l n ASN 242 Cb 0.34 1.38 0.47 0.00 1.23 0.00 0.00 39.78 43.19 3i9l n ASN 242 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3i9l n PRO 243 N 1.44 0.21 0.00 1.20 -0.04 -0.41 -2.12 135.00 135.28 3i9l n PRO 243 Ca 0.11 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 64.06 3i9l n PRO 243 Cb 0.62 -1.85 0.43 0.00 -0.04 0.00 0.00 33.50 32.66 3i9l n PRO 243 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i9l n ASN 244 N -2.24 1.80 -4.74 3.54 5.03 -1.26 -4.84 115.26 112.55 3i9l n ASN 244 Ca 0.03 -1.59 -0.40 0.00 0.87 0.00 0.00 54.58 53.50 3i9l n ASN 244 Cb 0.29 0.01 0.03 0.00 -1.02 0.00 0.00 39.78 39.09 3i9l n ASN 244 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i9l n ALA 245 N 0.40 1.67 -0.14 5.41 0.00 -0.90 -4.87 120.51 122.08 3i9l n ALA 245 Ca 0.18 0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.91 3i9l n ALA 245 Cb 0.41 -2.35 0.42 0.00 0.00 0.00 0.00 19.45 17.93 3i9l n ALA 245 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i9l h ARG 246 N 1.89 0.58 0.00 0.00 2.43 -1.92 -1.44 114.38 115.92 3i9l h ARG 246 Ca -0.50 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3i9l h ARG 246 Cb 1.29 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3i9l h ARG 246 CO 0.59 0.39 0.00 0.93 -1.51 0.00 0.00 179.97 180.37 3i9l h GLU 247 N 0.60 0.00 -0.55 0.20 3.07 -1.96 -2.88 114.58 113.06 3i9l h GLU 247 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3i9l h GLU 247 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 3i9l h GLU 247 CO -0.09 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.52 3i9l s ARG 249 N -1.21 4.22 0.24 0.00 3.52 -1.09 -4.97 118.95 119.66 3i9l s ARG 249 Ca 0.43 2.37 -0.03 0.00 -0.13 0.00 0.00 55.73 58.37 3i9l s ARG 249 Cb 0.23 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.45 3i9l s ARG 249 CO 0.31 -0.56 0.47 -0.51 -0.81 0.00 0.00 175.30 174.21 3i9l s LEU 250 N 0.53 4.15 0.00 -0.88 1.43 -1.26 -5.16 118.68 117.49 3i9l s LEU 250 Ca 0.66 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 3i9l s LEU 250 Cb -0.44 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3i9l s LEU 250 CO 0.36 -0.11 0.36 0.00 0.23 0.00 0.00 176.35 177.19