#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9k s VAL 2 N 0.00 5.16 0.47 7.28 1.01 -1.26 -1.32 120.40 131.73 3i9k s VAL 2 Ca 0.00 0.55 -0.23 0.00 0.00 0.00 0.00 61.98 62.30 3i9k s VAL 2 Cb 0.00 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 3i9k s VAL 2 CO 0.00 0.11 1.24 -2.84 0.00 0.00 0.00 175.10 173.61 3i9k s PRO 3 N 2.11 3.63 0.13 2.72 0.02 -1.26 -4.80 135.00 137.55 3i9k s PRO 3 Ca 0.16 1.97 -0.35 0.00 0.02 0.00 0.00 61.00 62.79 3i9k s PRO 3 Cb -0.16 -2.43 -0.15 0.00 0.02 0.00 0.00 34.50 31.78 3i9k s PRO 3 CO 0.10 -0.71 1.44 2.41 -0.33 0.00 0.00 177.00 179.91 3i9k n THR 4 N -0.52 0.10 -2.51 0.99 -1.04 0.95 -4.95 114.28 107.31 3i9k n THR 4 Ca 0.07 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.72 3i9k n THR 4 Cb 0.46 -1.19 -0.03 0.00 -1.82 0.00 0.00 70.33 67.76 3i9k n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3i9k s ARG 5 N 0.58 3.74 -1.45 -2.82 0.52 -1.26 -3.87 118.95 114.39 3i9k s ARG 5 Ca 0.80 1.39 -0.04 0.00 -0.52 0.00 0.00 55.73 57.37 3i9k s ARG 5 Cb -0.81 -2.08 0.03 0.00 0.52 0.00 0.00 34.95 32.61 3i9k s ARG 5 CO 0.43 -0.49 0.54 0.39 0.02 0.00 0.00 175.30 176.20 3i9k n GLU 6 N -1.01 -3.64 -0.06 3.54 1.02 -1.26 -4.79 120.64 114.44 3i9k n GLU 6 Ca 0.10 0.44 -0.08 0.00 -0.02 0.00 0.00 57.16 57.60 3i9k n GLU 6 Cb 0.52 -4.76 -0.01 0.00 -0.02 0.00 0.00 31.44 27.17 3i9k n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i9k h LEU 7 N -1.81 -0.63 -0.46 -4.62 5.85 -1.98 0.07 115.31 111.73 3i9k h LEU 7 Ca -0.62 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.24 3i9k h LEU 7 Cb 1.37 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.69 3i9k h LEU 7 CO 0.64 -0.23 0.29 -0.08 -0.34 0.00 0.00 178.44 178.72 3i9k h GLU 8 N -0.18 0.56 -0.75 1.25 4.81 -1.94 0.68 114.58 119.02 3i9k h GLU 8 Ca 0.14 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3i9k h GLU 8 Cb 0.40 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 3i9k h GLU 8 CO -0.37 0.37 0.49 -0.91 -0.73 0.00 0.00 179.01 177.86 3i9k h ASN 9 N 0.58 0.87 0.20 1.04 2.35 -1.45 0.88 115.58 120.06 3i9k h ASN 9 Ca 0.18 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3i9k h ASN 9 Cb -0.01 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.14 3i9k h ASN 9 CO -0.07 0.64 -0.10 0.58 -1.65 0.00 0.00 177.43 176.84 3i9k h VAL 10 N 1.02 0.88 -0.50 2.81 2.07 -0.74 0.55 116.25 122.35 3i9k h VAL 10 Ca 0.27 -0.69 0.10 0.00 0.82 0.00 0.00 66.70 67.20 3i9k h VAL 10 Cb -0.10 1.28 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 3i9k h VAL 10 CO -0.06 0.15 -0.20 0.15 0.02 0.00 0.00 177.57 177.63 3i9k h PHE 11 N -0.63 -0.49 -0.11 1.57 3.04 -0.70 0.06 116.94 119.66 3i9k h PHE 11 Ca -0.03 0.05 -0.14 0.00 3.98 0.00 0.00 57.97 61.83 3i9k h PHE 11 Cb 0.46 0.29 -0.01 0.00 2.56 0.00 0.00 35.95 39.25 3i9k h PHE 11 CO 0.03 -0.29 -0.54 -0.07 -2.02 0.00 0.00 178.31 175.42 3i9k h LEU 12 N -0.09 0.37 -0.22 0.59 3.38 -0.71 0.38 115.31 119.02 3i9k h LEU 12 Ca 0.23 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3i9k h LEU 12 Cb 0.45 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i9k h LEU 12 CO -0.56 0.84 -0.17 1.23 0.09 0.00 0.00 178.44 179.88 3i9k h GLY 13 N 1.30 0.54 1.02 0.83 0.00 -0.50 -1.53 103.07 104.73 3i9k h GLY 13 Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 3i9k h GLY 13 CO 0.09 0.47 0.39 3.21 0.00 0.00 0.00 176.54 180.71 3i9k h ARG 14 N 0.18 1.12 -0.59 4.80 3.08 -0.85 -0.81 114.38 121.31 3i9k h ARG 14 Ca 0.04 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3i9k h ARG 14 Cb 0.69 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 3i9k h ARG 14 CO 0.04 0.85 0.32 0.00 -1.07 0.00 0.00 179.97 180.12 3i9k h LYS 16 N 0.80 0.18 -0.59 0.00 1.63 -1.08 0.18 116.57 117.68 3i9k h LYS 16 Ca 0.21 -0.15 0.12 0.00 -0.85 0.00 0.00 60.65 59.98 3i9k h LYS 16 Cb 0.05 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 31.61 3i9k h LYS 16 CO -0.03 0.81 -0.07 0.22 -3.45 0.00 0.00 179.45 176.93 3i9k h ASP 17 N -0.41 -0.40 -0.03 4.20 3.58 -1.01 -1.86 116.42 120.50 3i9k h ASP 17 Ca -0.01 0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 3i9k h ASP 17 Cb 0.85 0.31 -0.00 0.00 1.72 0.00 0.00 39.33 42.21 3i9k h ASP 17 CO 0.04 -0.15 -0.00 0.22 -2.88 0.00 0.00 179.24 176.46 3i9k h TYR 18 N 0.06 0.05 -0.55 0.28 5.03 0.14 -0.56 116.97 121.42 3i9k h TYR 18 Ca 0.30 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.71 3i9k h TYR 18 Cb 0.47 -0.01 -0.11 0.00 1.55 0.00 0.00 36.73 38.63 3i9k h TYR 18 CO -0.42 0.36 -0.25 1.49 -1.32 0.00 0.00 178.16 178.02 3i9k h GLU 19 N -0.27 -0.11 0.11 1.82 4.81 -0.41 -1.01 114.58 119.51 3i9k h GLU 19 Ca 0.01 0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.95 3i9k h GLU 19 Cb 0.34 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 3i9k h GLU 19 CO 0.00 -0.08 -1.42 0.82 -0.73 0.00 0.00 179.01 177.61 3i9k h ILE 20 N -0.12 1.28 0.00 2.32 1.08 -1.24 -3.43 117.51 117.41 3i9k h ILE 20 Ca 0.25 -2.91 0.00 0.00 -0.39 0.00 0.00 64.86 61.81 3i9k h ILE 20 Cb 0.51 2.82 0.00 0.00 -3.07 0.00 0.00 36.82 37.07 3i9k h ILE 20 CO -0.62 0.84 -0.43 0.35 -0.69 0.00 0.00 178.15 177.60 3i9k n THR 21 N -3.46 0.00 -4.41 -0.27 -2.24 -0.23 -5.02 114.28 98.65 3i9k n THR 21 Ca -0.13 -0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.16 3i9k n THR 21 Cb 1.03 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 69.78 3i9k n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i9k s ARG 22 N -1.14 3.03 -1.91 -0.78 1.81 -0.40 -4.54 118.95 115.01 3i9k s ARG 22 Ca 0.00 -0.44 0.00 0.00 -1.72 0.00 0.00 55.73 53.57 3i9k s ARG 22 Cb 0.00 -2.78 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 3i9k s ARG 22 CO 0.00 0.65 0.00 0.66 -0.68 0.00 0.00 175.30 175.93 3i9k n TYR 23 N 2.31 -0.59 -0.04 -0.53 4.02 -1.26 -4.83 117.16 116.24 3i9k n TYR 23 Ca -0.18 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.86 3i9k n TYR 23 Cb 0.53 -3.72 0.59 0.00 -0.02 0.00 0.00 39.34 36.73 3i9k n TYR 23 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3i9k h LEU 24 N 0.00 0.19 -2.25 7.72 3.38 -1.80 0.06 115.31 122.61 3i9k h LEU 24 Ca -0.46 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3i9k h LEU 24 Cb 1.35 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3i9k h LEU 24 CO 0.59 0.11 0.00 0.47 0.09 0.00 0.00 178.44 179.70 3i9k n ASP 25 N -4.44 3.21 -0.01 -0.43 8.00 -1.26 -4.59 116.55 117.03 3i9k n ASP 25 Ca 0.10 -1.94 -0.03 0.00 0.71 0.00 0.00 54.79 53.63 3i9k n ASP 25 Cb 0.48 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 3i9k n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3i9k n ILE 26 N 1.30 0.15 -4.61 0.53 5.41 -0.51 -5.06 119.36 116.57 3i9k n ILE 26 Ca 0.17 -0.04 -0.24 0.00 1.00 0.00 0.00 62.75 63.64 3i9k n ILE 26 Cb 0.56 -1.31 -0.14 0.00 -0.71 0.00 0.00 39.64 38.04 3i9k n ILE 26 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3i9k s LEU 27 N -5.90 2.13 0.63 1.39 1.43 -0.11 -4.57 118.68 113.68 3i9k s LEU 27 Ca -0.04 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 3i9k s LEU 27 Cb 0.01 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.37 3i9k s LEU 27 CO 0.05 0.14 1.13 -2.16 0.23 0.00 0.00 176.35 175.74 3i9k s PRO 28 N -0.97 2.92 0.64 1.29 0.04 -1.26 -4.55 135.00 133.10 3i9k s PRO 28 Ca 0.06 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 3i9k s PRO 28 Cb -0.08 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3i9k s PRO 28 CO 0.01 -1.18 1.13 1.03 0.04 0.00 0.00 177.00 178.03 3i9k s ARG 29 N -3.81 2.85 0.28 4.56 1.81 -1.26 -4.92 118.95 118.46 3i9k s ARG 29 Ca 0.70 1.49 -0.05 0.00 -1.72 0.00 0.00 55.73 56.15 3i9k s ARG 29 Cb -0.23 -1.95 -0.05 0.00 -0.45 0.00 0.00 34.95 32.27 3i9k s ARG 29 CO 0.37 -1.23 0.54 0.08 -0.68 0.00 0.00 175.30 174.38 3i9k s VAL 30 N -2.16 5.04 0.20 3.52 1.01 -1.26 -5.01 120.40 121.73 3i9k s VAL 30 Ca 0.69 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 3i9k s VAL 30 Cb -0.22 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3i9k s VAL 30 CO 0.39 -0.30 1.58 0.03 0.00 0.00 0.00 175.10 176.79 3i9k h ARG 31 N 1.73 0.73 -6.92 2.72 3.08 -1.93 -3.46 114.38 110.33 3i9k h ARG 31 Ca -0.48 -0.35 -0.46 0.00 0.07 0.00 0.00 59.98 58.76 3i9k h ARG 31 Cb 1.19 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 3i9k h ARG 31 CO 0.66 0.96 0.35 -1.12 -1.07 0.00 0.00 179.97 179.76 3i9k s SER 32 N -6.81 7.23 0.77 7.04 0.01 -1.26 -5.04 113.70 115.63 3i9k s SER 32 Ca -0.09 1.83 -0.12 0.00 1.31 0.00 0.00 55.95 58.89 3i9k s SER 32 Cb 0.12 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.83 3i9k s SER 32 CO 0.84 -0.15 1.12 1.51 0.41 0.00 0.00 173.24 176.98 3i9k s ASP 33 N -1.70 4.85 0.34 2.44 3.84 -1.26 -4.84 116.67 120.35 3i9k s ASP 33 Ca 0.53 1.08 0.02 0.00 -0.00 0.00 0.00 52.55 54.17 3i9k s ASP 33 Cb -0.17 -1.78 0.59 0.00 -1.38 0.00 0.00 42.92 40.18 3i9k s ASP 33 CO 0.22 -1.71 1.99 0.00 -0.00 0.00 0.00 175.17 175.67 3i9k h SER 35 N 0.92 0.80 -0.43 0.00 4.64 -1.97 -0.52 113.55 117.00 3i9k h SER 35 Ca 0.27 -0.33 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 3i9k h SER 35 Cb -0.05 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.80 3i9k h SER 35 CO -0.07 1.05 0.19 0.00 -0.87 0.00 0.00 176.83 177.14 3i9k h ALA 36 N 0.99 0.55 -0.59 5.18 0.00 -1.77 -1.85 119.26 121.77 3i9k h ALA 36 Ca 0.07 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3i9k h ALA 36 Cb 0.85 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3i9k h ALA 36 CO 0.07 0.14 0.38 -0.07 0.00 0.00 0.00 179.25 179.77 3i9k h LEU 37 N 0.55 0.65 -0.53 0.00 3.38 -1.05 -1.78 115.31 116.53 3i9k h LEU 37 Ca 0.14 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3i9k h LEU 37 Cb 0.16 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3i9k h LEU 37 CO -0.01 0.46 0.25 -0.25 0.09 0.00 0.00 178.44 178.98 3i9k h TRP 38 N 0.77 0.46 -0.85 1.13 2.91 -0.93 -0.95 115.95 118.50 3i9k h TRP 38 Ca 0.23 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.27 3i9k h TRP 38 Cb -0.05 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.43 3i9k h TRP 38 CO -0.04 0.21 0.56 -0.22 -1.03 0.00 0.00 178.44 177.92 3i9k h LYS 39 N 0.49 1.12 -0.16 2.65 3.64 -0.94 0.06 116.57 123.44 3i9k h LYS 39 Ca 0.24 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.37 3i9k h LYS 39 Cb 0.17 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3i9k h LYS 39 CO -0.18 0.75 -0.64 -0.44 -2.27 0.00 0.00 179.45 176.67 3i9k h ASP 40 N 1.15 0.66 -0.03 4.20 3.32 -0.86 -2.48 116.42 122.37 3i9k h ASP 40 Ca 0.31 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3i9k h ASP 40 Cb -0.12 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.23 3i9k h ASP 40 CO -0.07 1.13 -0.00 0.15 -1.72 0.00 0.00 179.24 178.73 3i9k h PHE 41 N 0.42 0.07 -0.57 4.55 3.57 -0.94 -3.22 116.94 120.82 3i9k h PHE 41 Ca -0.01 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 3i9k h PHE 41 Cb 1.21 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 3i9k h PHE 41 CO 0.05 0.39 -0.01 0.35 -2.23 0.00 0.00 178.31 176.86 3i9k h PHE 42 N -0.27 1.08 0.00 0.41 3.57 -1.01 -2.45 116.94 118.27 3i9k h PHE 42 Ca 0.01 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3i9k h PHE 42 Cb 0.36 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3i9k h PHE 42 CO 0.04 0.96 0.00 0.36 -2.23 0.00 0.00 178.31 177.45 3i9k n LYS 43 N -4.18 0.06 0.00 1.11 2.85 -0.93 -1.12 118.16 115.94 3i9k n LYS 43 Ca 0.03 0.31 -0.08 0.00 -1.05 0.00 0.00 58.31 57.52 3i9k n LYS 43 Cb 0.34 -1.61 0.09 0.00 -0.65 0.00 0.00 35.03 33.20 3i9k n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i9k h ALA 44 N 2.42 0.80 0.00 0.58 0.00 -1.44 -3.35 119.26 118.26 3i9k h ALA 44 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i9k h ALA 44 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i9k h ALA 44 CO 0.00 0.66 -0.23 1.97 0.00 0.00 0.00 179.25 181.65 3i9k n PHE 45 N -4.00 0.00 -2.36 0.00 -1.74 -0.97 -4.79 117.46 103.60 3i9k n PHE 45 Ca -0.02 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.53 3i9k n PHE 45 Cb 0.55 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.54 3i9k n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 3i9k s SER 46 N -1.02 6.10 -1.51 5.98 1.04 -0.28 -3.55 113.70 120.45 3i9k s SER 46 Ca 0.00 1.92 -0.00 0.00 0.48 0.00 0.00 55.95 58.35 3i9k s SER 46 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3i9k s SER 46 CO 0.00 -0.95 0.02 0.49 0.98 0.00 0.00 173.24 173.77 3i9k n PHE 47 N -1.33 -0.87 -4.08 5.02 3.72 0.37 -4.92 117.46 115.37 3i9k n PHE 47 Ca 0.09 0.01 -0.12 0.00 -0.05 0.00 0.00 57.45 57.39 3i9k n PHE 47 Cb 0.52 -3.54 -0.11 0.00 -0.94 0.00 0.00 39.48 35.41 3i9k n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3i9k s LYS 48 N -4.90 0.59 0.63 -1.08 1.02 -1.02 -4.55 119.74 110.43 3i9k s LYS 48 Ca 0.01 -0.93 -0.18 0.00 0.02 0.00 0.00 55.97 54.89 3i9k s LYS 48 Cb -0.00 -0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.09 3i9k s LYS 48 CO 0.01 0.01 1.11 0.09 -0.92 0.00 0.00 175.35 175.65 3i9k n ASN 49 N 0.99 1.31 0.27 2.83 5.03 -1.26 -0.85 115.26 123.57 3i9k n ASN 49 Ca -0.20 0.80 0.18 0.00 0.87 0.00 0.00 54.58 56.24 3i9k n ASN 49 Cb 0.57 -1.46 0.83 0.00 -1.02 0.00 0.00 39.78 38.69 3i9k n ASN 49 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3i9k h PRO 50 N 0.44 0.00 -0.56 3.52 0.13 -1.92 -1.18 132.00 132.44 3i9k h PRO 50 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3i9k h PRO 50 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3i9k h PRO 50 CO 0.51 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.28 3i9k n ASP 52 N 1.25 5.81 -4.10 0.00 2.03 -0.45 -4.78 116.55 116.30 3i9k n ASP 52 Ca 0.19 -3.10 -0.14 0.00 0.52 0.00 0.00 54.79 52.26 3i9k n ASP 52 Cb 0.55 -1.45 -0.11 0.00 -0.72 0.00 0.00 41.12 39.38 3i9k n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i9k s LEU 53 N -0.56 2.29 0.34 -2.67 1.43 -1.26 -4.89 118.68 113.35 3i9k s LEU 53 Ca 0.44 -0.61 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 3i9k s LEU 53 Cb 0.12 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 46.05 3i9k s LEU 53 CO -0.02 -0.19 0.29 1.51 0.23 0.00 0.00 176.35 178.17 3i9k s ASP 54 N -1.76 1.73 0.63 2.29 1.47 -1.26 -3.17 116.67 116.60 3i9k s ASP 54 Ca -0.06 -1.77 0.33 0.00 1.18 0.00 0.00 52.55 52.23 3i9k s ASP 54 Cb -0.09 0.57 1.81 0.00 -0.34 0.00 0.00 42.92 44.87 3i9k s ASP 54 CO 0.01 -1.08 2.10 0.25 0.68 0.00 0.00 175.17 177.12 3i9k h LEU 55 N 2.11 0.00 -0.18 2.11 5.85 -1.87 -0.56 115.31 122.77 3i9k h LEU 55 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3i9k h LEU 55 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3i9k h LEU 55 CO 0.36 0.00 -0.20 0.61 -0.34 0.00 0.00 178.44 178.86 3i9k n GLY 56 N -1.29 -1.05 0.16 3.75 0.00 -1.26 -4.49 105.19 101.00 3i9k n GLY 56 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 3i9k n GLY 56 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i9k h SER 57 N 0.44 0.21 -0.50 1.61 0.02 -1.44 -2.00 113.55 111.89 3i9k h SER 57 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3i9k h SER 57 Cb 0.44 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3i9k h SER 57 CO 0.00 0.16 0.00 -1.22 -1.14 0.00 0.00 176.83 174.63 3i9k n TYR 58 N -4.97 1.43 -0.01 3.45 4.01 -1.26 -4.38 117.16 115.43 3i9k n TYR 58 Ca 0.01 -0.53 -0.12 0.00 -0.16 0.00 0.00 57.90 57.10 3i9k n TYR 58 Cb 0.10 -0.31 -0.06 0.00 -0.31 0.00 0.00 39.34 38.76 3i9k n TYR 58 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3i9k h LYS 59 N 3.29 -0.45 -0.98 -0.72 3.11 -1.60 -0.54 116.57 118.68 3i9k h LYS 59 Ca 0.00 0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.88 3i9k h LYS 59 Cb 1.44 0.10 -0.05 0.00 -1.00 0.00 0.00 32.23 32.73 3i9k h LYS 59 CO 0.29 -0.30 0.64 -0.44 -2.81 0.00 0.00 179.45 176.82 3i9k h ASP 60 N -0.47 1.14 -0.06 4.20 3.32 -1.83 -1.89 116.42 120.83 3i9k h ASP 60 Ca 0.08 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3i9k h ASP 60 Cb 0.61 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3i9k h ASP 60 CO -0.41 0.83 0.03 0.15 -1.72 0.00 0.00 179.24 178.12 3i9k h PHE 61 N 1.33 0.08 -0.03 4.55 3.57 -1.63 -0.85 116.94 123.96 3i9k h PHE 61 Ca 0.36 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 3i9k h PHE 61 Cb -0.13 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3i9k h PHE 61 CO -0.00 0.14 -0.46 0.74 -2.23 0.00 0.00 178.31 176.50 3i9k h PHE 62 N -0.01 0.09 0.31 0.41 0.04 -0.96 -0.67 116.94 116.15 3i9k h PHE 62 Ca 0.02 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3i9k h PHE 62 Cb 0.09 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3i9k h PHE 62 CO -0.04 0.52 -0.19 1.15 -0.60 0.00 0.00 178.31 179.14 3i9k h THR 63 N 0.06 0.59 -0.74 -1.55 2.02 -1.12 -1.71 112.91 110.45 3i9k h THR 63 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3i9k h THR 63 Cb 0.83 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3i9k h THR 63 CO 0.06 0.00 0.40 0.28 0.37 0.00 0.00 175.52 176.63 3i9k h SER 64 N -0.49 0.93 0.28 4.18 0.02 -0.93 -3.07 113.55 114.48 3i9k h SER 64 Ca -0.03 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3i9k h SER 64 Cb 0.41 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3i9k h SER 64 CO 0.03 0.76 -0.20 0.00 -1.14 0.00 0.00 176.83 176.27 3i9k n ALA 65 N -2.43 2.96 -1.78 3.77 0.00 -0.28 -4.60 120.51 118.15 3i9k n ALA 65 Ca 0.07 -0.36 -0.39 0.00 0.00 0.00 0.00 53.44 52.77 3i9k n ALA 65 Cb 0.11 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 3i9k n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i9k s GLN 66 N -2.49 4.75 0.03 0.00 2.00 -0.66 -4.55 119.66 118.74 3i9k s GLN 66 Ca 0.26 1.41 0.05 0.00 -2.00 0.00 0.00 55.36 55.08 3i9k s GLN 66 Cb 0.19 -3.14 -0.03 0.00 0.80 0.00 0.00 33.01 30.83 3i9k s GLN 66 CO 0.50 0.45 -0.11 -0.65 -0.50 0.00 0.00 175.29 174.99 3i9k s GLN 67 N -1.44 2.33 0.21 1.67 -0.21 -1.26 -4.92 119.66 116.03 3i9k s GLN 67 Ca 0.43 -0.85 -0.32 0.00 0.02 0.00 0.00 55.36 54.64 3i9k s GLN 67 Cb -0.24 -2.36 -0.13 0.00 1.00 0.00 0.00 33.01 31.29 3i9k s GLN 67 CO 0.29 0.57 1.63 0.94 -2.12 0.00 0.00 175.29 176.59 3i9k n GLN 68 N 1.44 2.49 -4.25 2.91 7.27 -1.26 -4.95 117.38 121.03 3i9k n GLN 68 Ca -0.15 0.90 -0.32 0.00 0.07 0.00 0.00 57.00 57.49 3i9k n GLN 68 Cb 0.52 -2.69 -0.09 0.00 2.41 0.00 0.00 30.24 30.40 3i9k n GLN 68 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3i9k s LEU 69 N 0.72 3.51 0.08 1.69 1.43 -1.26 -4.45 118.68 120.39 3i9k s LEU 69 Ca 0.74 -0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 53.49 3i9k s LEU 69 Cb -0.57 -2.06 -0.10 0.00 0.03 0.00 0.00 46.19 43.49 3i9k s LEU 69 CO 0.38 0.26 1.86 -2.16 0.23 0.00 0.00 176.35 176.92 3i9k s PRO 70 N -1.73 4.14 0.28 1.29 0.04 -1.26 -4.73 135.00 133.04 3i9k s PRO 70 Ca 0.21 2.57 -0.30 0.00 0.04 0.00 0.00 61.00 63.52 3i9k s PRO 70 Cb -0.12 -3.80 -0.13 0.00 0.04 0.00 0.00 34.50 30.49 3i9k s PRO 70 CO 0.12 -0.87 1.29 1.17 0.04 0.00 0.00 177.00 178.75 3i9k n LYS 71 N 6.36 1.92 -0.94 4.56 4.81 -1.26 -2.09 118.16 131.52 3i9k n LYS 71 Ca 0.18 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 3i9k n LYS 71 Cb 0.39 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.19 3i9k n LYS 71 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3i9k n ASN 72 N 1.48 -3.18 0.00 3.14 3.02 -0.13 -4.82 115.26 114.78 3i9k n ASN 72 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3i9k n ASN 72 Cb 0.33 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 37.90 3i9k n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i9k n LYS 73 N -1.47 -0.47 -2.80 3.52 5.02 -0.89 -4.71 118.16 116.36 3i9k n LYS 73 Ca 0.00 -0.62 -0.41 0.00 -2.02 0.00 0.00 58.31 55.26 3i9k n LYS 73 Cb 0.16 -1.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 3i9k n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9k s VAL 74 N -0.13 4.47 0.03 -0.18 1.01 -1.26 -0.36 120.40 123.98 3i9k s VAL 74 Ca 0.00 1.97 0.06 0.00 0.00 0.00 0.00 61.98 64.01 3i9k s VAL 74 Cb 0.00 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3i9k s VAL 74 CO 0.00 0.37 -0.18 -0.32 0.00 0.00 0.00 175.10 174.96 3i9k s MET 75 N -0.26 1.26 0.36 2.72 0.00 -0.52 -1.45 119.30 121.42 3i9k s MET 75 Ca 0.44 -0.83 0.09 0.00 0.00 0.00 0.00 55.69 55.38 3i9k s MET 75 Cb -0.23 -1.32 -0.07 0.00 0.00 0.00 0.00 34.83 33.21 3i9k s MET 75 CO 0.29 0.34 -0.07 -0.06 0.00 0.00 0.00 175.02 175.52 3i9k s PHE 76 N -0.74 2.43 0.01 4.11 0.08 0.47 -4.26 117.98 120.08 3i9k s PHE 76 Ca 0.06 -0.54 -0.21 0.00 0.12 0.00 0.00 56.93 56.36 3i9k s PHE 76 Cb -0.08 -1.47 0.04 0.00 -0.57 0.00 0.00 43.02 40.94 3i9k s PHE 76 CO 0.01 0.55 0.47 1.67 -0.10 0.00 0.00 175.22 177.83 3i9k s TRP 77 N -2.63 -0.37 -0.05 0.36 1.48 -1.26 -1.45 118.94 115.02 3i9k s TRP 77 Ca 0.33 0.50 -0.02 0.00 -1.06 0.00 0.00 56.10 55.85 3i9k s TRP 77 Cb 0.04 0.26 0.04 0.00 -1.16 0.00 0.00 33.47 32.65 3i9k s TRP 77 CO 0.17 -0.55 0.09 -1.12 -4.06 0.00 0.00 176.95 171.48 3i9k s SER 78 N -1.64 0.41 0.00 -2.66 0.01 -0.32 -4.84 113.70 104.66 3i9k s SER 78 Ca -0.09 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.35 3i9k s SER 78 Cb -0.02 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.26 3i9k s SER 78 CO 0.02 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.10 3i9k n GLY 79 N 4.68 1.19 2.65 3.44 0.00 -1.26 -3.29 105.19 112.61 3i9k n GLY 79 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 3i9k n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9k n VAL 80 N -2.00 1.45 -0.12 1.61 0.24 -1.26 -4.76 118.33 113.50 3i9k n VAL 80 Ca 0.00 -3.28 -0.11 0.00 -2.04 0.00 0.00 64.34 58.91 3i9k n VAL 80 Cb 0.00 0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 32.93 3i9k n VAL 80 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3i9k h TYR 81 N 2.65 -1.35 -0.48 6.34 5.03 -1.96 -0.17 116.97 127.02 3i9k h TYR 81 Ca -0.03 0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.29 3i9k h TYR 81 Cb 1.26 0.64 -0.02 0.00 1.55 0.00 0.00 36.73 40.16 3i9k h TYR 81 CO 0.57 -0.46 0.06 -0.44 -1.32 0.00 0.00 178.16 176.57 3i9k h ASP 82 N -0.36 0.79 -0.51 -2.11 3.32 -1.99 -2.44 116.42 113.12 3i9k h ASP 82 Ca 0.12 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 3i9k h ASP 82 Cb 0.59 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3i9k h ASP 82 CO -0.56 0.86 0.01 -0.33 -1.72 0.00 0.00 179.24 177.49 3i9k h GLU 83 N 0.68 0.89 -0.32 3.56 3.07 -1.90 0.57 114.58 121.13 3i9k h GLU 83 Ca 0.14 -0.28 -0.02 0.00 -0.50 0.00 0.00 59.36 58.70 3i9k h GLU 83 Cb 0.42 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 3i9k h GLU 83 CO 0.01 0.92 0.11 0.00 -1.40 0.00 0.00 179.01 178.65 3i9k h ALA 84 N 0.94 0.42 -0.21 3.43 0.00 -0.94 -0.15 119.26 122.76 3i9k h ALA 84 Ca 0.14 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3i9k h ALA 84 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3i9k h ALA 84 CO 0.03 0.05 -0.38 0.45 0.00 0.00 0.00 179.25 179.39 3i9k h HIS 85 N 0.37 0.54 -0.21 0.00 3.86 -1.38 0.00 115.15 118.33 3i9k h HIS 85 Ca 0.11 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 3i9k h HIS 85 Cb 0.23 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3i9k h HIS 85 CO 0.00 0.78 -0.02 -0.44 0.86 0.00 0.00 177.93 179.11 3i9k h ASP 86 N 0.38 0.38 -0.53 2.45 3.32 -0.75 -1.71 116.42 119.96 3i9k h ASP 86 Ca 0.04 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 3i9k h ASP 86 Cb 0.84 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3i9k h ASP 86 CO 0.07 0.62 0.09 0.22 -1.72 0.00 0.00 179.24 178.51 3i9k h TYR 87 N 0.13 0.94 -0.57 4.55 3.20 -0.93 -3.08 116.97 121.22 3i9k h TYR 87 Ca 0.06 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 3i9k h TYR 87 Cb 0.43 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3i9k h TYR 87 CO 0.04 0.84 0.17 0.00 -1.64 0.00 0.00 178.16 177.57 3i9k h ALA 88 N 0.99 1.24 -4.92 1.82 0.00 -0.94 -3.43 119.26 114.02 3i9k h ALA 88 Ca 0.16 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 3i9k h ALA 88 Cb 0.41 -0.23 0.16 0.00 0.00 0.00 0.00 17.79 18.12 3i9k h ALA 88 CO 0.01 0.54 -0.67 -1.71 0.00 0.00 0.00 179.25 177.42 3i9k n ASN 89 N -4.29 -5.53 -4.06 0.00 5.15 -0.65 -0.57 115.26 105.31 3i9k n ASN 89 Ca 0.04 -0.55 -0.29 0.00 -0.60 0.00 0.00 54.58 53.18 3i9k n ASN 89 Cb 0.20 -4.20 -0.03 0.00 -0.53 0.00 0.00 39.78 35.23 3i9k n ASN 89 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3i9k n THR 90 N -2.88 -2.30 0.00 -0.44 -1.04 -1.26 -1.02 114.28 105.35 3i9k n THR 90 Ca -0.06 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 3i9k n THR 90 Cb 0.60 -2.26 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 3i9k n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i9k n GLY 91 N -1.85 1.65 0.25 3.41 0.00 -1.06 -4.91 105.19 102.68 3i9k n GLY 91 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 3i9k n GLY 91 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i9k h ARG 92 N 2.90 0.88 0.00 1.61 0.11 -1.01 -3.38 114.38 115.50 3i9k h ARG 92 Ca 0.00 -0.56 -0.42 0.00 0.10 0.00 0.00 59.98 59.10 3i9k h ARG 92 Cb 0.00 0.06 -0.07 0.00 1.11 0.00 0.00 29.97 31.07 3i9k h ARG 92 CO 0.00 1.19 -2.51 1.17 0.10 0.00 0.00 179.97 179.93 3i9k n LYS 93 N -4.02 0.62 -4.12 0.08 4.81 0.26 -5.04 118.16 110.76 3i9k n LYS 93 Ca -0.04 0.20 -0.10 0.00 -0.87 0.00 0.00 58.31 57.49 3i9k n LYS 93 Cb 0.62 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.08 3i9k n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3i9k s TYR 94 N -2.51 0.82 -0.08 5.64 2.02 -0.95 -4.87 117.35 117.42 3i9k s TYR 94 Ca -0.36 -1.15 -0.04 0.00 -0.37 0.00 0.00 57.07 55.15 3i9k s TYR 94 Cb 0.12 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 3i9k s TYR 94 CO 0.55 -0.62 0.09 0.42 -1.57 0.00 0.00 175.55 174.42 3i9k s ILE 95 N -4.06 5.00 0.35 2.71 -1.09 0.51 -2.58 121.20 122.04 3i9k s ILE 95 Ca 0.27 -0.08 0.08 0.00 -2.23 0.00 0.00 60.65 58.69 3i9k s ILE 95 Cb 0.06 -3.20 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 3i9k s ILE 95 CO 0.05 0.54 0.08 0.42 -1.23 0.00 0.00 174.94 174.79 3i9k s THR 96 N -1.05 2.68 0.37 2.92 -4.23 -1.26 -1.43 115.64 113.64 3i9k s THR 96 Ca 0.17 -1.84 0.13 0.00 -1.18 0.00 0.00 61.69 58.97 3i9k s THR 96 Cb -0.12 -2.89 0.35 0.00 1.34 0.00 0.00 72.50 71.18 3i9k s THR 96 CO 0.07 -0.16 1.82 0.25 -0.54 0.00 0.00 174.62 176.06 3i9k h LEU 97 N 1.67 0.56 0.00 4.79 5.85 -1.98 -1.66 115.31 124.53 3i9k h LEU 97 Ca -0.43 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3i9k h LEU 97 Cb 1.25 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3i9k h LEU 97 CO 0.67 0.20 0.00 -0.62 -0.34 0.00 0.00 178.44 178.35 3i9k n GLU 98 N -4.61 0.34 0.00 1.25 4.71 -1.26 -1.50 120.64 119.56 3i9k n GLU 98 Ca 0.21 0.05 0.11 0.00 -0.01 0.00 0.00 57.16 57.53 3i9k n GLU 98 Cb 0.67 -1.50 0.13 0.00 -1.01 0.00 0.00 31.44 29.72 3i9k n GLU 98 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3i9k n ASP 99 N -1.30 0.76 -4.89 1.62 8.00 -0.63 -2.66 116.55 117.47 3i9k n ASP 99 Ca 0.11 -0.60 -0.29 0.00 0.71 0.00 0.00 54.79 54.73 3i9k n ASP 99 Cb 0.20 0.50 -0.00 0.00 -0.02 0.00 0.00 41.12 41.80 3i9k n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i9k s THR 100 N -2.94 4.81 0.17 -3.53 -4.23 -0.57 -4.76 115.64 104.59 3i9k s THR 100 Ca 0.11 0.51 -0.26 0.00 -1.18 0.00 0.00 61.69 60.88 3i9k s THR 100 Cb 0.17 -3.85 0.03 0.00 1.34 0.00 0.00 72.50 70.19 3i9k s THR 100 CO 0.74 -0.91 1.57 0.25 -0.54 0.00 0.00 174.62 175.73 3i9k h LEU 101 N 0.18 -1.51 -0.72 4.79 5.85 -1.86 0.26 115.31 122.31 3i9k h LEU 101 Ca -0.46 0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.39 3i9k h LEU 101 Cb 1.20 0.68 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 3i9k h LEU 101 CO 0.62 -0.34 -0.26 1.55 -0.34 0.00 0.00 178.44 179.67 3i9k h PRO 102 N -0.24 0.69 -0.43 5.25 0.13 -1.88 -1.83 132.00 133.69 3i9k h PRO 102 Ca 0.17 -0.29 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 3i9k h PRO 102 Cb 0.56 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 3i9k h PRO 102 CO -0.68 0.88 0.17 0.78 -0.23 0.00 0.00 178.00 178.92 3i9k h GLY 103 N 0.98 0.70 1.01 1.56 0.00 -1.55 -2.45 103.07 103.32 3i9k h GLY 103 Ca 0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3i9k h GLY 103 CO 0.06 0.37 0.32 -1.82 0.00 0.00 0.00 176.54 175.47 3i9k h TYR 104 N 0.56 0.98 -0.36 5.60 5.03 -0.26 -1.17 116.97 127.35 3i9k h TYR 104 Ca 0.14 -0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.35 3i9k h TYR 104 Cb 0.21 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.17 3i9k h TYR 104 CO 0.00 0.74 0.03 0.52 -1.32 0.00 0.00 178.16 178.13 3i9k h MET 105 N 0.94 0.62 -0.01 1.82 2.86 -1.24 -3.28 114.93 116.64 3i9k h MET 105 Ca 0.23 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3i9k h MET 105 Cb 0.13 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3i9k h MET 105 CO -0.03 0.71 -0.55 1.28 1.06 0.00 0.00 176.91 179.38 3i9k n LEU 106 N -4.53 1.40 -4.60 1.22 7.99 -0.93 -4.75 117.00 112.81 3i9k n LEU 106 Ca -0.01 -0.51 -0.50 0.00 -0.01 0.00 0.00 56.01 54.98 3i9k n LEU 106 Cb 0.25 -0.05 -0.05 0.00 -0.11 0.00 0.00 43.42 43.45 3i9k n LEU 106 CO 0.39 0.28 0.92 -3.20 -1.51 0.00 0.00 177.39 174.27 3i9k n ASN 107 N -0.66 1.86 0.00 -1.43 5.15 -0.45 -1.08 115.26 118.65 3i9k n ASN 107 Ca 0.08 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.18 3i9k n ASN 107 Cb 0.40 -1.24 0.00 0.00 -0.53 0.00 0.00 39.78 38.40 3i9k n ASN 107 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3i9k n SER 108 N 2.54 0.00 -4.91 1.20 7.64 -1.26 -5.00 113.62 113.83 3i9k n SER 108 Ca 0.17 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.77 3i9k n SER 108 Cb 0.22 -0.45 0.03 0.00 -1.01 0.00 0.00 64.21 62.99 3i9k n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i9k s LEU 109 N 0.00 3.24 -0.03 -3.43 1.43 -0.24 -5.01 118.68 114.64 3i9k s LEU 109 Ca 0.00 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 3i9k s LEU 109 Cb 0.00 -3.74 0.03 0.00 0.03 0.00 0.00 46.19 42.51 3i9k s LEU 109 CO 0.00 -1.02 0.01 -0.69 0.23 0.00 0.00 176.35 174.87 3i9k s VAL 110 N -3.03 0.15 0.16 -1.59 1.01 -1.26 -4.97 120.40 110.86 3i9k s VAL 110 Ca 0.54 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 3i9k s VAL 110 Cb -0.11 -0.25 0.06 0.00 0.00 0.00 0.00 36.38 36.08 3i9k s VAL 110 CO 0.47 0.14 0.55 -1.66 0.00 0.00 0.00 175.10 174.60 3i9k s TRP 111 N 1.07 -0.41 0.09 5.22 -2.14 -1.26 -0.03 118.94 121.47 3i9k s TRP 111 Ca -0.09 0.15 -0.26 0.00 2.66 0.00 0.00 56.10 58.56 3i9k s TRP 111 Cb -0.13 0.48 0.08 0.00 -3.10 0.00 0.00 33.47 30.80 3i9k s TRP 111 CO -0.02 -0.84 0.72 0.00 -2.66 0.00 0.00 176.95 174.16 3i9k s GLY 113 N -2.60 1.65 0.07 0.00 0.00 -1.25 -0.84 107.32 104.35 3i9k s GLY 113 Ca 0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 44.72 44.51 3i9k s GLY 113 CO -0.11 0.18 0.18 -0.86 0.00 0.00 0.00 173.10 172.49 3i9k s GLN 114 N -5.20 0.79 0.11 2.90 -2.07 -0.03 -3.34 119.66 112.81 3i9k s GLN 114 Ca 0.57 -0.87 -0.13 0.00 -1.82 0.00 0.00 55.36 53.11 3i9k s GLN 114 Cb -0.12 0.32 -0.10 0.00 -1.09 0.00 0.00 33.01 32.02 3i9k s GLN 114 CO 0.54 -0.24 1.38 0.00 -1.32 0.00 0.00 175.29 175.65 3i9k h ARG 115 N 2.98 0.80 -6.90 9.60 3.08 -1.79 -2.64 114.38 119.52 3i9k h ARG 115 Ca -0.33 -0.52 -0.52 0.00 0.07 0.00 0.00 59.98 58.68 3i9k h ARG 115 Cb 1.19 0.06 0.06 0.00 0.08 0.00 0.00 29.97 31.37 3i9k h ARG 115 CO 0.54 1.14 0.58 0.00 -1.07 0.00 0.00 179.97 181.16 3i9k s ALA 116 N -4.10 3.35 0.16 0.04 0.00 -1.26 -4.64 121.76 115.31 3i9k s ALA 116 Ca -0.11 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.67 3i9k s ALA 116 Cb 0.09 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.60 3i9k s ALA 116 CO 0.87 -0.58 0.74 -1.71 0.00 0.00 0.00 175.76 175.08 3i9k n ASN 117 N 0.54 -0.55 -1.03 0.00 2.85 -1.26 -0.88 115.26 114.94 3i9k n ASN 117 Ca 0.02 1.14 0.06 0.00 -0.11 0.00 0.00 54.58 55.69 3i9k n ASN 117 Cb 0.44 -0.99 0.21 0.00 1.24 0.00 0.00 39.78 40.68 3i9k n ASN 117 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3i9k n PRO 118 N 1.15 2.56 -0.04 1.20 -0.04 -1.26 -4.91 135.00 133.66 3i9k n PRO 118 Ca 0.17 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 3i9k n PRO 118 Cb 0.22 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3i9k n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9k n GLY 119 N 0.87 0.41 3.28 0.55 0.00 -0.06 -4.83 105.19 105.41 3i9k n GLY 119 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3i9k n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i9k s PHE 120 N -2.09 -0.31 -0.32 1.61 -0.71 -1.26 -0.47 117.98 114.43 3i9k s PHE 120 Ca 0.00 0.61 -0.19 0.00 -1.04 0.00 0.00 56.93 56.31 3i9k s PHE 120 Cb 0.00 0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.95 3i9k s PHE 120 CO 0.00 -0.36 0.55 1.21 -1.34 0.00 0.00 175.22 175.29 3i9k s ASN 121 N -0.83 6.39 0.00 1.98 3.84 -0.02 -4.66 114.94 121.64 3i9k s ASN 121 Ca -0.09 0.21 0.28 0.00 0.21 0.00 0.00 52.86 53.46 3i9k s ASN 121 Cb -0.04 -2.29 0.99 0.00 -0.55 0.00 0.00 41.25 39.36 3i9k s ASN 121 CO 0.04 -0.45 1.71 -0.62 -2.79 0.00 0.00 177.10 174.99 3i9k n GLU 122 N 5.77 0.94 -0.06 0.43 1.02 -1.26 -4.44 120.64 123.03 3i9k n GLU 122 Ca -0.03 -0.47 -0.10 0.00 -0.02 0.00 0.00 57.16 56.53 3i9k n GLU 122 Cb 0.49 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 3i9k n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i9k n LYS 123 N -0.62 0.29 -3.73 3.49 5.02 -1.26 -4.70 118.16 116.66 3i9k n LYS 123 Ca 0.14 0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.39 3i9k n LYS 123 Cb 0.32 -1.15 -0.10 0.00 -0.02 0.00 0.00 35.03 34.08 3i9k n LYS 123 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i9k s VAL 124 N -2.24 0.00 0.05 -0.18 0.11 -1.26 -4.41 120.40 112.48 3i9k s VAL 124 Ca -0.17 -0.04 0.05 0.00 -2.93 0.00 0.00 61.98 58.90 3i9k s VAL 124 Cb 0.05 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 3i9k s VAL 124 CO 0.26 -0.02 -0.15 0.00 -3.33 0.00 0.00 175.10 171.86 3i9k s PRO 126 N -1.40 4.13 0.62 0.00 0.02 -1.26 0.10 135.00 137.21 3i9k s PRO 126 Ca 0.01 2.54 0.22 0.00 0.02 0.00 0.00 61.00 63.79 3i9k s PRO 126 Cb -0.09 -2.98 0.80 0.00 0.02 0.00 0.00 34.50 32.26 3i9k s PRO 126 CO 0.02 -0.51 1.31 0.22 -0.33 0.00 0.00 177.00 177.71 3i9k h ASP 127 N 3.09 0.00 0.00 2.53 -0.00 -1.99 -3.41 116.42 116.65 3i9k h ASP 127 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.52 3i9k h ASP 127 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.57 3i9k h ASP 127 CO 0.65 0.00 0.00 0.49 -0.00 0.00 0.00 179.24 180.38 3i9k n PHE 128 N -3.12 0.00 -0.18 0.28 3.01 -1.26 -4.40 117.46 111.79 3i9k n PHE 128 Ca 0.16 0.00 0.29 0.00 1.01 0.00 0.00 57.45 58.92 3i9k n PHE 128 Cb 1.31 -0.02 0.63 0.00 -0.01 0.00 0.00 39.48 41.39 3i9k n PHE 128 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3i9k h LYS 129 N 0.07 0.00 0.00 -1.08 1.57 -1.97 -2.51 116.57 112.65 3i9k h LYS 129 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3i9k h LYS 129 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3i9k h LYS 129 CO 0.00 0.00 -0.51 0.00 -0.57 0.00 0.00 179.45 178.37 3i9k h THR 130 N 0.00 1.36 -3.77 -0.16 1.03 -1.90 -3.46 112.91 106.01 3i9k h THR 130 Ca 0.45 -1.77 -0.48 0.00 -0.01 0.00 0.00 66.41 64.60 3i9k h THR 130 Cb 2.30 1.95 0.05 0.00 -1.07 0.00 0.00 68.15 71.39 3i9k h THR 130 CO -0.00 0.50 0.20 0.00 -0.01 0.00 0.00 175.52 176.21 3i9k s PRO 132 N -4.99 1.71 0.16 0.00 0.02 -1.26 -4.54 135.00 126.09 3i9k s PRO 132 Ca 0.53 1.61 -0.19 0.00 0.02 0.00 0.00 61.00 62.97 3i9k s PRO 132 Cb -0.11 -1.80 0.06 0.00 0.02 0.00 0.00 34.50 32.68 3i9k s PRO 132 CO 0.46 -2.13 1.66 -0.24 -0.33 0.00 0.00 177.00 176.42 3i9k h VAL 133 N -1.02 0.56 -0.10 3.83 3.04 -1.95 0.12 116.25 120.73 3i9k h VAL 133 Ca -0.45 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.27 3i9k h VAL 133 Cb 1.28 0.56 -0.00 0.00 -2.01 0.00 0.00 31.29 31.11 3i9k h VAL 133 CO 0.47 0.00 0.13 0.06 -1.01 0.00 0.00 177.57 177.21 3i9k h GLN 134 N -0.07 0.00 0.00 4.17 -0.00 -1.91 -1.94 115.11 115.36 3i9k h GLN 134 Ca 0.17 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.63 3i9k h GLN 134 Cb 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.78 3i9k h GLN 134 CO -0.38 0.00 -1.04 0.00 -0.00 0.00 0.00 178.83 177.41 3i9k h ALA 135 N 1.84 0.22 -0.57 0.06 0.00 -0.99 -2.72 119.26 117.10 3i9k h ALA 135 Ca 0.05 -1.08 0.12 0.00 0.00 0.00 0.00 54.91 54.00 3i9k h ALA 135 Cb 0.30 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3i9k h ALA 135 CO -0.00 0.58 0.39 -0.09 0.00 0.00 0.00 179.25 180.13 3i9k h ARG 136 N -0.98 0.23 -0.48 0.00 2.43 -1.08 -2.36 114.38 112.14 3i9k h ARG 136 Ca -0.29 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3i9k h ARG 136 Cb 1.26 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3i9k h ARG 136 CO -0.17 0.15 0.00 0.39 -1.51 0.00 0.00 179.97 178.84 3i9k n GLU 137 N -4.44 2.70 -0.12 0.20 1.02 -0.74 -4.56 120.64 114.70 3i9k n GLU 137 Ca 0.10 -2.26 -0.07 0.00 -0.02 0.00 0.00 57.16 54.91 3i9k n GLU 137 Cb 0.47 -1.40 0.02 0.00 -0.02 0.00 0.00 31.44 30.51 3i9k n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i9k h SER 138 N 3.06 0.28 0.01 1.62 0.87 -1.08 0.10 113.55 118.41 3i9k h SER 138 Ca 0.00 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3i9k h SER 138 Cb 0.84 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3i9k h SER 138 CO 0.00 0.20 -0.00 0.15 -0.53 0.00 0.00 176.83 176.65 3i9k h PHE 139 N 0.39 -0.01 0.00 2.24 3.57 -1.80 -2.64 116.94 118.69 3i9k h PHE 139 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3i9k h PHE 139 Cb 0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3i9k h PHE 139 CO -0.10 0.26 0.00 -1.49 -2.23 0.00 0.00 178.31 174.75 3i9k h TRP 140 N -1.00 0.00 -0.05 0.41 4.06 -1.86 -0.78 115.95 116.73 3i9k h TRP 140 Ca -0.00 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 3i9k h TRP 140 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 3i9k h TRP 140 CO 0.07 0.00 -0.28 0.78 -3.56 0.00 0.00 178.44 175.45 3i9k h GLY 141 N 3.28 0.31 1.11 1.49 0.00 -0.91 -0.69 103.07 107.66 3i9k h GLY 141 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3i9k h GLY 141 CO 0.00 0.39 0.45 1.98 0.00 0.00 0.00 176.54 179.37 3i9k h MET 142 N -0.26 1.16 -0.46 4.80 1.85 -1.37 -1.58 114.93 119.07 3i9k h MET 142 Ca -0.02 -0.13 0.06 0.00 -0.61 0.00 0.00 59.70 58.99 3i9k h MET 142 Cb 0.95 -0.23 -0.05 0.00 0.43 0.00 0.00 31.60 32.70 3i9k h MET 142 CO 0.06 0.85 0.17 0.00 -0.40 0.00 0.00 176.91 177.59 3i9k h ALA 143 N 1.33 0.56 -0.45 0.39 0.00 -1.06 -0.71 119.26 119.32 3i9k h ALA 143 Ca 0.29 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 3i9k h ALA 143 Cb 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3i9k h ALA 143 CO -0.05 -0.21 -0.23 0.77 0.00 0.00 0.00 179.25 179.53 3i9k h SER 144 N 0.35 0.95 -0.01 0.00 0.02 -1.05 -1.75 113.55 112.07 3i9k h SER 144 Ca 0.22 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3i9k h SER 144 Cb 0.20 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 3i9k h SER 144 CO -0.21 1.14 0.01 0.28 -1.14 0.00 0.00 176.83 176.90 3i9k h SER 145 N 0.80 0.01 -0.32 3.07 0.02 -0.94 -1.09 113.55 115.10 3i9k h SER 145 Ca 0.10 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 3i9k h SER 145 Cb 0.79 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 3i9k h SER 145 CO 0.07 0.09 -0.30 -1.28 -1.14 0.00 0.00 176.83 174.26 3i9k h SER 146 N -0.06 0.87 0.03 3.07 0.87 -1.03 -0.59 113.55 116.71 3i9k h SER 146 Ca 0.00 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 3i9k h SER 146 Cb 0.08 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3i9k h SER 146 CO -0.00 1.11 -0.01 0.22 -0.53 0.00 0.00 176.83 177.61 3i9k h TYR 147 N 0.71 -0.03 -0.99 2.24 3.20 -1.30 -2.77 116.97 118.02 3i9k h TYR 147 Ca 0.08 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.12 3i9k h TYR 147 Cb 0.85 0.01 -0.10 0.00 1.54 0.00 0.00 36.73 39.03 3i9k h TYR 147 CO 0.05 0.31 0.60 0.00 -1.64 0.00 0.00 178.16 177.47 3i9k h ALA 148 N 0.59 1.59 0.00 1.82 0.00 -1.07 -2.20 119.26 119.98 3i9k h ALA 148 Ca -0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3i9k h ALA 148 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3i9k h ALA 148 CO 0.01 0.01 -0.28 1.25 0.00 0.00 0.00 179.25 180.24 3i9k h HIS 149 N 0.80 0.00 -0.00 0.00 -0.00 -0.84 -2.57 115.15 112.55 3i9k h HIS 149 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.92 3i9k h HIS 149 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.19 3i9k h HIS 149 CO -0.01 0.28 -0.28 0.43 -0.00 0.00 0.00 177.93 178.34 3i9k n SER 150 N -3.65 0.76 -4.77 3.26 7.64 -0.86 -4.72 113.62 111.28 3i9k n SER 150 Ca -0.01 -0.62 -0.39 0.00 1.01 0.00 0.00 58.87 58.86 3i9k n SER 150 Cb 0.40 0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 3i9k n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i9k s ALA 151 N -2.64 3.18 0.05 -0.43 0.00 -0.97 -4.25 121.76 116.70 3i9k s ALA 151 Ca 0.21 1.04 0.03 0.00 0.00 0.00 0.00 51.96 53.24 3i9k s ALA 151 Cb 0.19 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3i9k s ALA 151 CO 0.56 -0.60 -0.10 -1.21 0.00 0.00 0.00 175.76 174.41 3i9k s GLU 152 N -2.26 0.62 6.12 0.00 2.02 -1.26 -4.35 118.70 119.58 3i9k s GLU 152 Ca 0.57 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.78 3i9k s GLU 152 Cb -0.33 -0.47 0.00 0.00 0.10 0.00 0.00 34.13 33.44 3i9k s GLU 152 CO 0.41 0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.20 3i9k n GLY 153 N 1.53 2.50 3.72 -1.39 0.00 0.12 -0.95 105.19 110.71 3i9k n GLY 153 Ca -0.22 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3i9k n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9k s GLU 154 N 0.00 4.60 0.08 1.61 2.02 -1.26 -0.88 118.70 124.87 3i9k s GLU 154 Ca 0.00 1.33 0.07 0.00 0.02 0.00 0.00 54.97 56.39 3i9k s GLU 154 Cb 0.00 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 3i9k s GLU 154 CO 0.00 0.12 -0.11 0.14 0.02 0.00 0.00 175.26 175.42 3i9k s VAL 155 N 0.42 3.27 0.06 2.63 -7.23 0.15 -3.79 120.40 115.92 3i9k s VAL 155 Ca 0.47 -1.21 0.07 0.00 -1.81 0.00 0.00 61.98 59.50 3i9k s VAL 155 Cb -0.22 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 3i9k s VAL 155 CO 0.27 0.18 -0.18 -0.89 -0.31 0.00 0.00 175.10 174.18 3i9k s THR 156 N -1.14 2.83 -0.11 5.32 2.01 -0.53 -0.65 115.64 123.38 3i9k s THR 156 Ca 0.19 -1.26 -0.03 0.00 0.31 0.00 0.00 61.69 60.91 3i9k s THR 156 Cb -0.11 -2.22 0.04 0.00 0.01 0.00 0.00 72.50 70.22 3i9k s THR 156 CO 0.11 0.28 0.05 -0.47 -0.69 0.00 0.00 174.62 173.90 3i9k s TYR 157 N -0.99 0.41 -0.16 4.92 5.04 0.54 -0.40 117.35 126.71 3i9k s TYR 157 Ca 0.16 -0.21 -0.13 0.00 -2.44 0.00 0.00 57.07 54.45 3i9k s TYR 157 Cb -0.11 -0.71 -0.05 0.00 0.35 0.00 0.00 41.96 41.44 3i9k s TYR 157 CO 0.07 -0.39 0.25 1.41 -1.34 0.00 0.00 175.55 175.54 3i9k s MET 158 N 2.06 4.18 0.17 4.97 -2.45 -0.52 -0.65 119.30 127.05 3i9k s MET 158 Ca 0.03 0.02 0.02 0.00 -1.25 0.00 0.00 55.69 54.51 3i9k s MET 158 Cb -0.14 -3.40 -0.05 0.00 1.25 0.00 0.00 34.83 32.49 3i9k s MET 158 CO -0.06 0.31 0.00 0.14 1.05 0.00 0.00 175.02 176.46 3i9k s VAL 159 N 0.29 0.66 -0.32 10.11 -7.23 -0.44 -1.17 120.40 122.29 3i9k s VAL 159 Ca 0.15 -1.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.14 3i9k s VAL 159 Cb -0.13 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 3i9k s VAL 159 CO 0.03 -0.47 0.61 -0.62 -0.31 0.00 0.00 175.10 174.34 3i9k s ASP 160 N -3.17 6.45 -0.06 4.85 -1.08 -1.21 -0.64 116.67 121.81 3i9k s ASP 160 Ca 0.24 0.30 0.18 0.00 -0.52 0.00 0.00 52.55 52.75 3i9k s ASP 160 Cb 0.06 -2.32 0.64 0.00 -1.46 0.00 0.00 42.92 39.84 3i9k s ASP 160 CO 0.04 -0.50 1.54 0.61 0.52 0.00 0.00 175.17 177.38 3i9k n GLY 161 N 4.54 2.36 0.12 2.66 0.00 0.90 -3.97 105.19 111.80 3i9k n GLY 161 Ca -0.02 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.30 3i9k n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i9k n SER 162 N 1.22 1.73 -4.37 1.61 7.64 -1.24 -0.84 113.62 119.36 3i9k n SER 162 Ca 0.23 -2.53 -0.41 0.00 1.01 0.00 0.00 58.87 57.17 3i9k n SER 162 Cb 0.73 -0.27 -0.10 0.00 -1.01 0.00 0.00 64.21 63.56 3i9k n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3i9k s ASN 163 N -1.96 5.84 0.00 6.43 3.84 -1.26 -4.77 114.94 123.06 3i9k s ASN 163 Ca 0.17 -1.10 0.24 0.00 0.21 0.00 0.00 52.86 52.38 3i9k s ASN 163 Cb 0.15 -2.06 1.19 0.00 -0.55 0.00 0.00 41.25 39.98 3i9k s ASN 163 CO 0.02 -0.46 1.79 -0.81 -2.79 0.00 0.00 177.10 174.85 3i9k n PRO 164 N 5.04 0.30 -0.01 0.43 -0.04 -1.26 -2.99 135.00 136.47 3i9k n PRO 164 Ca -0.11 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.51 3i9k n PRO 164 Cb 0.45 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.26 3i9k n PRO 164 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i9k n LYS 165 N -1.31 0.59 -3.66 0.54 5.02 -1.26 -4.92 118.16 113.15 3i9k n LYS 165 Ca 0.11 -0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 56.00 3i9k n LYS 165 Cb 0.20 -1.47 -0.17 0.00 -0.02 0.00 0.00 35.03 33.57 3i9k n LYS 165 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9k s VAL 166 N -3.31 0.06 0.79 -0.18 1.01 -1.16 -5.13 120.40 112.48 3i9k s VAL 166 Ca -0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 3i9k s VAL 166 Cb 0.13 -0.53 0.07 0.00 0.00 0.00 0.00 36.38 36.05 3i9k s VAL 166 CO 0.84 -0.08 1.21 -2.65 0.00 0.00 0.00 175.10 174.41 3i9k n PRO 167 N 5.23 0.30 -0.11 2.72 -0.02 -1.26 -4.54 135.00 137.32 3i9k n PRO 167 Ca -0.06 0.18 -0.08 0.00 -2.02 0.00 0.00 63.50 61.51 3i9k n PRO 167 Cb 0.49 -2.45 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3i9k n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9k h ALA 168 N -0.73 0.44 -3.31 3.55 0.00 -1.91 -3.39 119.26 113.92 3i9k h ALA 168 Ca -0.47 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 53.76 3i9k h ALA 168 Cb 1.30 -0.13 -0.30 0.00 0.00 0.00 0.00 17.79 18.67 3i9k h ALA 168 CO 0.47 -0.11 -0.82 -0.47 0.00 0.00 0.00 179.25 178.31 3i9k s TYR 169 N -6.16 2.69 0.02 0.00 5.04 -1.26 -4.59 117.35 113.08 3i9k s TYR 169 Ca -0.13 -0.89 0.03 0.00 -2.44 0.00 0.00 57.07 53.64 3i9k s TYR 169 Cb 0.10 -1.78 -0.01 0.00 0.35 0.00 0.00 41.96 40.61 3i9k s TYR 169 CO 0.72 -0.34 -0.08 -0.98 -1.34 0.00 0.00 175.55 173.52 3i9k s ARG 170 N 0.40 0.60 0.54 4.97 1.70 -1.26 -4.80 118.95 121.09 3i9k s ARG 170 Ca -0.14 -0.51 0.23 0.00 -0.47 0.00 0.00 55.73 54.83 3i9k s ARG 170 Cb -0.17 -0.51 1.43 0.00 -0.57 0.00 0.00 34.95 35.13 3i9k s ARG 170 CO 0.07 0.12 2.08 -1.35 -1.08 0.00 0.00 175.30 175.14 3i9k h PRO 171 N 5.26 0.00 -0.56 3.89 0.11 -1.99 -2.56 132.00 136.16 3i9k h PRO 171 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3i9k h PRO 171 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3i9k h PRO 171 CO 0.46 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.85 3i9k n ASP 172 N -4.28 4.30 -4.75 -2.05 5.75 -1.26 -2.55 116.55 111.71 3i9k n ASP 172 Ca 0.03 -2.41 -0.29 0.00 -0.01 0.00 0.00 54.79 52.11 3i9k n ASP 172 Cb 0.34 -0.51 0.13 0.00 -1.03 0.00 0.00 41.12 40.05 3i9k n ASP 172 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3i9k s SER 173 N -1.07 3.63 0.31 -1.12 1.04 -0.96 -4.76 113.70 110.77 3i9k s SER 173 Ca 0.45 0.88 -0.00 0.00 0.48 0.00 0.00 55.95 57.76 3i9k s SER 173 Cb 0.29 -1.40 0.50 0.00 0.10 0.00 0.00 66.02 65.51 3i9k s SER 173 CO 0.22 -2.47 1.92 -0.26 0.98 0.00 0.00 173.24 173.63 3i9k h PHE 174 N -1.44 0.87 -0.18 5.02 -1.00 -1.92 0.16 116.94 118.45 3i9k h PHE 174 Ca -0.49 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.24 3i9k h PHE 174 Cb 1.33 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 40.60 3i9k h PHE 174 CO 0.15 0.62 -0.02 0.35 -1.61 0.00 0.00 178.31 177.81 3i9k h PHE 175 N 0.88 0.36 -0.61 -0.55 3.57 -1.90 0.11 116.94 118.80 3i9k h PHE 175 Ca 0.22 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3i9k h PHE 175 Cb 0.06 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 3i9k h PHE 175 CO 0.01 0.55 0.34 0.78 -2.23 0.00 0.00 178.31 177.76 3i9k h GLY 176 N 0.06 0.87 0.75 2.40 0.00 -1.60 0.17 103.07 105.72 3i9k h GLY 176 Ca 0.05 -0.24 -0.33 0.00 0.00 0.00 0.00 47.33 46.81 3i9k h GLY 176 CO 0.01 0.16 -1.88 1.17 0.00 0.00 0.00 176.54 176.00 3i9k n LYS 177 N -4.80 0.68 0.00 4.80 4.81 0.53 -4.45 118.16 119.73 3i9k n LYS 177 Ca 0.07 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 3i9k n LYS 177 Cb 0.14 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.45 3i9k n LYS 177 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3i9k n TYR 178 N -3.19 0.00 0.00 5.64 4.01 0.33 -4.68 117.16 119.27 3i9k n TYR 178 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 3i9k n TYR 178 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 3i9k n TYR 178 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i9k n GLY 179 N 1.77 0.96 0.26 2.72 0.00 -0.27 -3.52 105.19 107.11 3i9k n GLY 179 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3i9k n GLY 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i9k h LEU 180 N 0.00 0.03 -1.22 0.99 5.85 -0.98 0.33 115.31 120.32 3i9k h LEU 180 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3i9k h LEU 180 Cb 0.00 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3i9k h LEU 180 CO 0.00 -0.01 0.00 -0.65 -0.34 0.00 0.00 178.44 177.44 3i9k h PRO 181 N 0.28 0.00 -0.04 5.25 0.11 -1.79 -2.20 132.00 133.61 3i9k h PRO 181 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3i9k h PRO 181 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3i9k h PRO 181 CO -0.46 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.42 3i9k n ASN 182 N -2.32 2.27 -4.74 -2.05 3.02 0.07 -4.93 115.26 106.57 3i9k n ASN 182 Ca -0.00 -1.63 -0.41 0.00 -0.03 0.00 0.00 54.58 52.51 3i9k n ASN 182 Cb 0.12 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 3i9k n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i9k s LEU 183 N -1.20 4.38 0.00 3.41 1.43 -0.83 -3.47 118.68 122.39 3i9k s LEU 183 Ca 0.18 2.73 0.06 0.00 -1.03 0.00 0.00 54.13 56.07 3i9k s LEU 183 Cb 0.12 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.78 3i9k s LEU 183 CO 0.18 -0.75 0.53 0.35 0.23 0.00 0.00 176.35 176.89 3i9k n THR 184 N 2.37 0.00 0.50 5.49 -2.24 -1.26 -4.99 114.28 114.14 3i9k n THR 184 Ca 0.07 -1.83 0.06 0.00 -2.27 0.00 0.00 64.05 60.08 3i9k n THR 184 Cb 0.40 -0.31 0.28 0.00 -2.10 0.00 0.00 70.33 68.59 3i9k n THR 184 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i9k n ASN 185 N -2.12 0.00 0.19 3.42 6.94 -1.26 -1.61 115.26 120.82 3i9k n ASN 185 Ca 0.06 0.26 0.14 0.00 -0.02 0.00 0.00 54.58 55.02 3i9k n ASN 185 Cb 0.54 -0.37 0.56 0.00 -2.36 0.00 0.00 39.78 38.16 3i9k n ASN 185 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3i9k h LYS 186 N 0.00 0.00 -6.18 -3.83 1.57 -1.94 -3.44 116.57 102.75 3i9k h LYS 186 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3i9k h LYS 186 Cb 0.15 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 3i9k h LYS 186 CO 0.00 0.00 0.05 0.08 -0.57 0.00 0.00 179.45 179.01 3i9k s VAL 187 N -3.44 4.82 -0.09 0.50 1.01 -0.63 0.12 120.40 122.69 3i9k s VAL 187 Ca 0.03 1.40 0.15 0.00 0.00 0.00 0.00 61.98 63.56 3i9k s VAL 187 Cb 0.09 -4.00 -0.21 0.00 0.00 0.00 0.00 36.38 32.25 3i9k s VAL 187 CO 0.46 0.40 0.20 0.35 0.00 0.00 0.00 175.10 176.51 3i9k n THR 188 N 2.70 0.53 -3.63 3.92 -2.24 -0.06 -4.84 114.28 110.66 3i9k n THR 188 Ca -0.05 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.10 3i9k n THR 188 Cb 0.51 -0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 68.42 3i9k n THR 188 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i9k s ARG 189 N -2.72 0.70 -0.23 -0.78 3.52 -1.25 -1.34 118.95 116.85 3i9k s ARG 189 Ca -0.07 0.83 -0.04 0.00 -0.13 0.00 0.00 55.73 56.32 3i9k s ARG 189 Cb 0.07 0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.80 3i9k s ARG 189 CO 0.64 -0.09 -0.02 0.08 -0.81 0.00 0.00 175.30 175.10 3i9k s VAL 190 N 0.30 3.51 -0.35 7.11 1.01 -0.58 -0.67 120.40 130.72 3i9k s VAL 190 Ca 0.01 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 3i9k s VAL 190 Cb -0.05 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.71 3i9k s VAL 190 CO -0.02 0.36 0.16 -0.54 0.00 0.00 0.00 175.10 175.06 3i9k s LYS 191 N 1.49 2.87 -0.08 2.72 1.02 0.18 -1.96 119.74 125.97 3i9k s LYS 191 Ca 0.05 -1.04 -0.08 0.00 0.02 0.00 0.00 55.97 54.92 3i9k s LYS 191 Cb -0.15 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 3i9k s LYS 191 CO -0.02 -0.63 0.20 0.08 -0.92 0.00 0.00 175.35 174.06 3i9k s VAL 192 N 1.52 5.41 -0.18 3.17 1.01 0.34 -0.34 120.40 131.33 3i9k s VAL 192 Ca 0.01 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.29 3i9k s VAL 192 Cb -0.19 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.76 3i9k s VAL 192 CO 0.05 0.58 -0.13 -0.63 0.00 0.00 0.00 175.10 174.97 3i9k s ILE 193 N -1.07 1.69 -0.28 2.22 1.01 0.17 -1.64 121.20 123.29 3i9k s ILE 193 Ca 0.18 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 3i9k s ILE 193 Cb -0.13 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 3i9k s ILE 193 CO 0.07 0.30 0.32 -0.69 0.00 0.00 0.00 174.94 174.95 3i9k s VAL 194 N 1.40 5.21 -0.13 2.92 1.01 0.60 -1.33 120.40 130.08 3i9k s VAL 194 Ca 0.01 0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.13 3i9k s VAL 194 Cb -0.15 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3i9k s VAL 194 CO -0.09 0.14 0.80 -0.22 0.00 0.00 0.00 175.10 175.73 3i9k s LEU 195 N 1.98 4.22 -0.54 3.92 0.20 0.19 -1.09 118.68 127.56 3i9k s LEU 195 Ca 0.12 1.20 -0.08 0.00 0.69 0.00 0.00 54.13 56.07 3i9k s LEU 195 Cb -0.16 -3.21 0.14 0.00 -0.43 0.00 0.00 46.19 42.53 3i9k s LEU 195 CO 0.10 -0.31 0.41 -1.00 -0.29 0.00 0.00 176.35 175.26 3i9k s HIS 196 N 1.71 3.48 0.12 5.38 3.76 -1.26 -0.07 115.29 128.41 3i9k s HIS 196 Ca 0.39 -2.12 -0.35 0.00 -0.15 0.00 0.00 55.06 52.82 3i9k s HIS 196 Cb -0.17 -3.45 -0.16 0.00 1.11 0.00 0.00 32.58 29.90 3i9k s HIS 196 CO 0.15 -0.96 1.30 0.54 -0.85 0.00 0.00 174.74 174.92 3i9k n ARG 197 N 4.45 1.21 -1.77 1.40 1.74 -1.26 -4.86 116.66 117.58 3i9k n ARG 197 Ca -0.01 0.43 -0.42 0.00 -0.77 0.00 0.00 57.85 57.08 3i9k n ARG 197 Cb 0.41 -2.04 -0.02 0.00 -1.02 0.00 0.00 32.46 29.79 3i9k n ARG 197 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i9k s LEU 198 N 0.55 4.36 0.00 0.55 1.43 -1.26 -1.28 118.68 123.03 3i9k s LEU 198 Ca 0.81 2.88 0.00 0.00 -1.03 0.00 0.00 54.13 56.79 3i9k s LEU 198 Cb -0.91 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 41.70 3i9k s LEU 198 CO 0.48 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.74 3i9k n GLY 199 N 3.14 1.51 3.77 -3.19 0.00 -1.26 -5.02 105.19 104.14 3i9k n GLY 199 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3i9k n GLY 199 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9k s GLU 200 N -0.05 2.91 0.21 1.61 2.02 -0.40 -5.08 118.70 119.92 3i9k s GLU 200 Ca 0.00 -0.63 -0.32 0.00 0.02 0.00 0.00 54.97 54.03 3i9k s GLU 200 Cb 0.00 -2.75 -0.13 0.00 0.10 0.00 0.00 34.13 31.34 3i9k s GLU 200 CO 0.00 0.59 1.54 1.17 0.02 0.00 0.00 175.26 178.58 3i9k n LYS 201 N 0.74 2.24 -2.21 1.61 4.81 -1.26 -4.79 118.16 119.29 3i9k n LYS 201 Ca -0.10 0.80 -0.42 0.00 -0.87 0.00 0.00 58.31 57.72 3i9k n LYS 201 Cb 0.52 -2.55 -0.03 0.00 0.02 0.00 0.00 35.03 33.00 3i9k n LYS 201 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3i9k s ILE 202 N 0.52 3.50 -0.12 3.15 1.01 -1.26 -4.66 121.20 123.35 3i9k s ILE 202 Ca 0.73 1.03 0.02 0.00 0.00 0.00 0.00 60.65 62.44 3i9k s ILE 202 Cb -0.63 -3.66 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 3i9k s ILE 202 CO 0.42 0.05 -0.09 -0.38 0.00 0.00 0.00 174.94 174.94 3i9k n ILE 203 N 4.17 0.71 -4.88 2.92 2.08 -0.02 -5.01 119.36 119.33 3i9k n ILE 203 Ca 0.12 -0.29 -0.26 0.00 0.56 0.00 0.00 62.75 62.88 3i9k n ILE 203 Cb 0.43 -0.92 -0.15 0.00 -0.75 0.00 0.00 39.64 38.25 3i9k n ILE 203 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3i9k s GLU 204 N -2.25 1.53 0.04 0.38 0.41 -0.53 -5.02 118.70 113.26 3i9k s GLU 204 Ca -0.15 -0.73 0.05 0.00 -0.41 0.00 0.00 54.97 53.73 3i9k s GLU 204 Cb 0.04 -1.50 -0.02 0.00 -1.78 0.00 0.00 34.13 30.87 3i9k s GLU 204 CO 0.30 0.41 -0.15 0.15 -0.49 0.00 0.00 175.26 175.48 3i9k s LYS 205 N -0.58 1.01 0.24 1.61 1.02 -1.26 -4.81 119.74 116.97 3i9k s LYS 205 Ca 0.07 -0.77 -0.31 0.00 0.02 0.00 0.00 55.97 54.99 3i9k s LYS 205 Cb -0.08 -1.03 -0.14 0.00 -0.52 0.00 0.00 37.83 36.06 3i9k s LYS 205 CO -0.00 0.26 1.29 0.00 -0.92 0.00 0.00 175.35 175.98 3i9k n GLY 207 N 1.87 0.72 3.39 0.00 0.00 -1.26 -5.01 105.19 104.90 3i9k n GLY 207 Ca 0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 3i9k n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9k s ALA 208 N -2.00 -0.35 0.00 4.61 0.00 -0.99 -4.75 121.76 118.28 3i9k s ALA 208 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3i9k s ALA 208 Cb 0.00 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.95 3i9k s ALA 208 CO 0.00 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3i9k n GLY 209 N -0.25 1.91 0.28 0.00 0.00 -1.26 -2.35 105.19 103.51 3i9k n GLY 209 Ca -0.09 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.57 3i9k n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i9k h SER 210 N 7.92 0.00 0.63 1.61 4.64 -1.92 -2.10 113.55 124.34 3i9k h SER 210 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3i9k h SER 210 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3i9k h SER 210 CO 0.00 0.00 -0.31 -0.07 -0.87 0.00 0.00 176.83 175.58 3i9k h LEU 211 N 0.00 0.00 -0.42 5.97 3.38 -1.74 -0.82 115.31 121.68 3i9k h LEU 211 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3i9k h LEU 211 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3i9k h LEU 211 CO -0.00 0.31 -0.78 0.25 0.09 0.00 0.00 178.44 178.31 3i9k h LEU 212 N 0.00 0.21 -0.65 1.67 5.85 -0.99 -1.62 115.31 119.78 3i9k h LEU 212 Ca -0.00 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.45 3i9k h LEU 212 Cb 0.71 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3i9k h LEU 212 CO 0.04 0.91 -0.23 0.44 -0.34 0.00 0.00 178.44 179.26 3i9k h ASP 213 N 0.10 0.83 -0.40 1.25 3.32 -1.17 -1.63 116.42 118.72 3i9k h ASP 213 Ca -0.03 -0.31 -0.13 0.00 0.02 0.00 0.00 57.03 56.58 3i9k h ASP 213 Cb 1.37 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3i9k h ASP 213 CO 0.12 1.03 -0.27 0.25 -1.72 0.00 0.00 179.24 178.65 3i9k h LEU 214 N 0.71 0.92 -0.42 1.55 5.85 -1.11 -2.14 115.31 120.67 3i9k h LEU 214 Ca 0.09 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.42 3i9k h LEU 214 Cb 0.76 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3i9k h LEU 214 CO 0.06 1.15 0.22 -0.08 -0.34 0.00 0.00 178.44 179.45 3i9k h GLU 215 N 0.70 0.42 -0.53 1.25 4.81 -0.97 0.05 114.58 120.31 3i9k h GLU 215 Ca 0.08 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3i9k h GLU 215 Cb 0.84 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 3i9k h GLU 215 CO 0.07 0.28 0.32 -0.22 -0.73 0.00 0.00 179.01 178.73 3i9k h LYS 216 N 0.43 0.72 -0.24 1.92 3.64 -1.10 -0.97 116.57 120.98 3i9k h LYS 216 Ca 0.18 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3i9k h LYS 216 Cb 0.07 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3i9k h LYS 216 CO -0.12 0.52 0.13 -0.07 -2.27 0.00 0.00 179.45 177.65 3i9k h LEU 217 N 0.71 0.30 -0.30 5.20 3.38 -0.70 -0.51 115.31 123.39 3i9k h LEU 217 Ca 0.19 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3i9k h LEU 217 Cb -0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3i9k h LEU 217 CO -0.04 0.30 0.08 0.58 0.09 0.00 0.00 178.44 179.45 3i9k h VAL 218 N 0.28 0.88 -0.46 1.22 2.07 -0.66 -2.69 116.25 116.89 3i9k h VAL 218 Ca 0.08 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 3i9k h VAL 218 Cb 0.06 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3i9k h VAL 218 CO -0.01 0.04 0.09 0.11 0.02 0.00 0.00 177.57 177.82 3i9k h LYS 219 N 0.20 0.69 0.00 1.57 1.57 -1.10 -2.30 116.57 117.20 3i9k h LYS 219 Ca 0.14 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i9k h LYS 219 Cb 0.13 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3i9k h LYS 219 CO -0.16 0.64 -0.01 0.00 -0.57 0.00 0.00 179.45 179.35 3i9k h ALA 220 N 1.44 1.35 -0.01 3.86 0.00 -0.78 0.11 119.26 125.22 3i9k h ALA 220 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i9k h ALA 220 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i9k h ALA 220 CO 0.00 0.02 -0.01 1.63 0.00 0.00 0.00 179.25 180.88 3i9k n LYS 221 N -3.61 1.60 -1.64 0.00 5.02 -0.89 -4.94 118.16 113.70 3i9k n LYS 221 Ca -0.03 -0.91 -0.12 0.00 -2.02 0.00 0.00 58.31 55.23 3i9k n LYS 221 Cb 0.10 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.59 3i9k n LYS 221 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i9k n HIS 222 N 0.09 -0.19 -3.15 2.13 8.25 0.02 -5.03 115.22 117.35 3i9k n HIS 222 Ca 0.19 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.34 3i9k n HIS 222 Cb 0.35 -2.40 -0.04 0.00 1.12 0.00 0.00 29.99 29.02 3i9k n HIS 222 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3i9k s PHE 223 N -2.50 3.45 1.01 4.41 0.08 -1.07 -4.97 117.98 118.38 3i9k s PHE 223 Ca 0.00 0.90 -0.12 0.00 0.12 0.00 0.00 56.93 57.83 3i9k s PHE 223 Cb 0.00 -2.31 0.19 0.00 -0.57 0.00 0.00 43.02 40.33 3i9k s PHE 223 CO 0.00 0.08 1.09 0.00 -0.10 0.00 0.00 175.22 176.29 3i9k s ALA 224 N -2.13 0.88 -0.08 5.36 0.00 -0.45 -4.11 121.76 121.23 3i9k s ALA 224 Ca 0.49 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 3i9k s ALA 224 Cb -0.11 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 19.92 3i9k s ALA 224 CO 0.27 -2.89 0.20 0.12 0.00 0.00 0.00 175.76 173.46 3i9k s PHE 225 N -2.92 -0.24 0.07 0.00 5.36 -1.26 -1.53 117.98 117.45 3i9k s PHE 225 Ca 0.65 0.62 0.01 0.00 -0.96 0.00 0.00 56.93 57.25 3i9k s PHE 225 Cb -0.19 -0.00 -0.04 0.00 -0.34 0.00 0.00 43.02 42.45 3i9k s PHE 225 CO 0.58 -0.19 -0.05 0.16 -1.46 0.00 0.00 175.22 174.26 3i9k s ASP 226 N 1.05 0.80 -0.09 6.13 1.47 -0.83 -4.99 116.67 120.21 3i9k s ASP 226 Ca -0.08 -0.94 -0.08 0.00 1.18 0.00 0.00 52.55 52.64 3i9k s ASP 226 Cb -0.09 0.13 0.03 0.00 -0.34 0.00 0.00 42.92 42.64 3i9k s ASP 226 CO -0.06 -0.49 0.24 0.00 0.68 0.00 0.00 175.17 175.54 3i9k s VAL 228 N 0.26 0.03 -0.19 0.00 0.11 -0.65 -4.97 120.40 114.99 3i9k s VAL 228 Ca -0.01 -0.22 -0.08 0.00 -2.93 0.00 0.00 61.98 58.74 3i9k s VAL 228 Cb -0.03 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.68 3i9k s VAL 228 CO -0.01 -0.12 0.07 -1.61 -3.33 0.00 0.00 175.10 170.10 3i9k s GLU 229 N -0.36 3.96 -1.30 1.54 2.02 -1.26 -0.29 118.70 123.02 3i9k s GLU 229 Ca -0.04 -0.35 -0.23 0.00 0.02 0.00 0.00 54.97 54.37 3i9k s GLU 229 Cb -0.03 -3.24 0.03 0.00 0.10 0.00 0.00 34.13 30.99 3i9k s GLU 229 CO -0.00 0.23 0.52 0.09 0.02 0.00 0.00 175.26 176.12 3i9k n ASN 230 N 3.66 -2.82 -4.51 -0.19 4.13 -0.25 -4.87 115.26 110.42 3i9k n ASN 230 Ca -0.16 -1.25 -0.36 0.00 1.68 0.00 0.00 54.58 54.48 3i9k n ASN 230 Cb 0.52 -1.93 0.07 0.00 -1.54 0.00 0.00 39.78 36.90 3i9k n ASN 230 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3i9k n PRO 231 N -4.82 0.41 -0.31 3.52 -0.04 -1.26 -4.40 135.00 128.10 3i9k n PRO 231 Ca -0.17 0.18 0.05 0.00 -0.04 0.00 0.00 63.50 63.52 3i9k n PRO 231 Cb 0.61 -1.92 0.20 0.00 -0.04 0.00 0.00 33.50 32.34 3i9k n PRO 231 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9k h ARG 232 N -0.21 0.79 -0.51 0.54 3.08 -1.99 0.82 114.38 116.90 3i9k h ARG 232 Ca -0.46 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3i9k h ARG 232 Cb 1.35 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 3i9k h ARG 232 CO 0.45 0.52 0.34 0.00 -1.07 0.00 0.00 179.97 180.20 3i9k h ALA 233 N 1.50 1.63 0.15 0.04 0.00 -2.01 -0.20 119.26 120.37 3i9k h ALA 233 Ca 0.44 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 55.05 3i9k h ALA 233 Cb 0.45 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3i9k h ALA 233 CO -0.27 0.34 -1.23 0.28 0.00 0.00 0.00 179.25 178.37 3i9k h VAL 234 N 0.70 1.23 -0.60 0.00 2.07 -1.24 -3.23 116.25 115.18 3i9k h VAL 234 Ca 0.19 -2.50 0.11 0.00 0.82 0.00 0.00 66.70 65.32 3i9k h VAL 234 Cb -0.08 2.94 -0.08 0.00 -1.52 0.00 0.00 31.29 32.55 3i9k h VAL 234 CO -0.04 0.73 0.15 0.25 0.02 0.00 0.00 177.57 178.68 3i9k h LEU 235 N -0.24 0.04 -1.22 2.57 5.85 -0.69 -1.08 115.31 120.54 3i9k h LEU 235 Ca -0.24 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 3i9k h LEU 235 Cb 1.79 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.94 3i9k h LEU 235 CO 0.13 0.03 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.97 3i9k h PHE 236 N 0.28 0.53 -0.38 1.25 0.04 -1.15 0.20 116.94 117.71 3i9k h PHE 236 Ca 0.31 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 61.04 3i9k h PHE 236 Cb 0.46 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 3i9k h PHE 236 CO -0.23 0.54 0.23 -0.07 -0.60 0.00 0.00 178.31 178.18 3i9k h LEU 237 N 0.48 0.38 -0.27 1.54 4.07 -1.25 -0.41 115.31 119.86 3i9k h LEU 237 Ca 0.10 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.09 3i9k h LEU 237 Cb 0.35 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 3i9k h LEU 237 CO 0.01 0.28 0.11 -0.07 -1.08 0.00 0.00 178.44 177.69 3i9k h LEU 238 N 0.47 0.14 -1.01 1.67 3.38 -0.29 -2.39 115.31 117.27 3i9k h LEU 238 Ca 0.15 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.22 3i9k h LEU 238 Cb -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3i9k h LEU 238 CO -0.06 0.11 0.65 0.00 0.09 0.00 0.00 178.44 179.23 3i9k h SER 240 N 1.12 0.58 0.33 0.00 0.87 -0.53 0.65 113.55 116.58 3i9k h SER 240 Ca 0.45 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 3i9k h SER 240 Cb 0.27 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3i9k h SER 240 CO -0.20 0.24 -0.18 0.47 -0.53 0.00 0.00 176.83 176.63 3i9k n ASP 241 N -4.59 0.69 -2.86 6.23 8.00 -0.83 -4.39 116.55 118.81 3i9k n ASP 241 Ca 0.20 -0.66 -0.12 0.00 0.71 0.00 0.00 54.79 54.92 3i9k n ASP 241 Cb 0.60 0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.75 3i9k n ASP 241 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i9k n ASN 242 N -0.86 -1.90 0.12 -2.24 4.05 -0.23 -5.01 115.26 109.19 3i9k n ASN 242 Ca 0.13 -3.28 0.11 0.00 0.45 0.00 0.00 54.58 51.99 3i9k n ASN 242 Cb 0.31 1.21 0.48 0.00 1.23 0.00 0.00 39.78 43.01 3i9k n ASN 242 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3i9k n PRO 243 N 1.16 0.16 -0.10 1.20 -0.04 0.05 -2.06 135.00 135.38 3i9k n PRO 243 Ca 0.12 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 3i9k n PRO 243 Cb 0.63 -1.84 0.22 0.00 -0.04 0.00 0.00 33.50 32.47 3i9k n PRO 243 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i9k n ASN 244 N -2.15 2.92 -4.76 3.54 5.03 -1.26 -4.80 115.26 113.78 3i9k n ASN 244 Ca 0.01 -1.92 -0.39 0.00 0.87 0.00 0.00 54.58 53.16 3i9k n ASN 244 Cb 0.18 -0.13 0.03 0.00 -1.02 0.00 0.00 39.78 38.84 3i9k n ASN 244 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i9k s ALA 245 N -1.75 2.95 0.31 5.41 0.00 -0.87 -4.87 121.76 122.95 3i9k s ALA 245 Ca 0.34 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.60 3i9k s ALA 245 Cb 0.21 -3.54 0.54 0.00 0.00 0.00 0.00 23.12 20.33 3i9k s ALA 245 CO 0.31 -1.19 1.95 -0.09 0.00 0.00 0.00 175.76 176.73 3i9k h ARG 246 N 1.80 0.98 0.00 0.00 2.43 -1.93 -1.23 114.38 116.43 3i9k h ARG 246 Ca -0.51 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3i9k h ARG 246 Cb 1.28 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3i9k h ARG 246 CO 0.59 0.65 0.02 0.39 -1.51 0.00 0.00 179.97 180.11 3i9k n GLU 247 N -4.45 0.10 -0.00 0.20 4.71 -1.26 -2.89 120.64 117.04 3i9k n GLU 247 Ca 0.11 0.59 0.07 0.00 -0.01 0.00 0.00 57.16 57.92 3i9k n GLU 247 Cb 0.13 -1.84 -0.09 0.00 -1.01 0.00 0.00 31.44 28.63 3i9k n GLU 247 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i9k n ARG 249 N -1.43 0.88 -2.57 0.00 0.63 -1.14 -4.97 116.66 108.06 3i9k n ARG 249 Ca 0.02 0.32 -0.25 0.00 -0.92 0.00 0.00 57.85 57.02 3i9k n ARG 249 Cb 0.25 -1.94 0.03 0.00 0.45 0.00 0.00 32.46 31.24 3i9k n ARG 249 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3i9k s LEU 250 N 1.83 3.31 0.00 6.15 1.43 -1.26 -5.15 118.68 124.99 3i9k s LEU 250 Ca 0.93 0.50 0.16 0.00 -1.03 0.00 0.00 54.13 54.68 3i9k s LEU 250 Cb -1.10 -3.33 0.93 0.00 0.03 0.00 0.00 46.19 42.73 3i9k s LEU 250 CO 0.59 -1.02 1.34 0.00 0.23 0.00 0.00 176.35 177.49