#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r16 s VAL 2 N 0.00 4.99 0.72 9.51 1.01 -1.26 -1.88 120.40 133.49 1r16 s VAL 2 Ca 0.00 1.28 -0.11 0.00 0.00 0.00 0.00 61.98 63.14 1r16 s VAL 2 Cb 0.00 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1r16 s VAL 2 CO 0.00 0.08 1.08 -2.16 0.00 0.00 0.00 175.10 174.11 1r16 s PRO 3 N 2.03 2.71 0.17 2.72 0.04 -1.26 -4.90 135.00 136.51 1r16 s PRO 3 Ca 0.30 0.62 -0.31 0.00 0.04 0.00 0.00 61.00 61.66 1r16 s PRO 3 Cb -0.16 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1r16 s PRO 3 CO 0.10 -1.18 1.45 0.99 0.04 0.00 0.00 177.00 178.41 1r16 s THR 4 N -3.23 2.91 0.49 1.26 2.01 -0.15 -4.86 115.64 114.08 1r16 s THR 4 Ca 0.59 0.69 -0.20 0.00 0.31 0.00 0.00 61.69 63.08 1r16 s THR 4 Cb -0.13 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 1r16 s THR 4 CO 0.53 0.07 1.02 -0.13 -0.69 0.00 0.00 174.62 175.42 1r16 s ARG 5 N 0.62 3.85 -1.42 4.92 0.52 -1.26 -3.92 118.95 122.26 1r16 s ARG 5 Ca 0.64 1.26 -0.03 0.00 -0.52 0.00 0.00 55.73 57.08 1r16 s ARG 5 Cb -0.40 -2.11 0.02 0.00 0.52 0.00 0.00 34.95 32.98 1r16 s ARG 5 CO 0.35 -0.37 0.58 0.39 0.02 0.00 0.00 175.30 176.26 1r16 n GLU 6 N -1.06 -3.95 -0.16 3.54 1.02 -1.26 -4.79 120.64 113.98 1r16 n GLU 6 Ca 0.08 0.48 -0.04 0.00 -0.02 0.00 0.00 57.16 57.67 1r16 n GLU 6 Cb 0.53 -4.85 0.03 0.00 -0.02 0.00 0.00 31.44 27.13 1r16 n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r16 h LEU 7 N -1.84 -0.67 -0.31 -4.62 5.85 -1.98 -1.28 115.31 110.45 1r16 h LEU 7 Ca -0.62 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.32 1r16 h LEU 7 Cb 1.37 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 42.75 1r16 h LEU 7 CO 0.63 -0.22 0.07 -0.08 -0.34 0.00 0.00 178.44 178.49 1r16 h GLU 8 N -0.08 0.18 -0.61 1.25 4.81 -1.94 0.17 114.58 118.36 1r16 h GLU 8 Ca 0.24 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1r16 h GLU 8 Cb 0.44 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1r16 h GLU 8 CO -0.55 0.12 0.39 -0.91 -0.73 0.00 0.00 179.01 177.33 1r16 h ASN 9 N 0.19 0.71 -0.54 1.04 2.35 -1.75 -1.03 115.58 116.53 1r16 h ASN 9 Ca 0.14 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1r16 h ASN 9 Cb 0.15 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1r16 h ASN 9 CO -0.18 0.52 0.20 0.58 -1.65 0.00 0.00 177.43 176.91 1r16 h VAL 10 N 0.82 1.22 0.16 2.81 2.07 -0.94 -0.21 116.25 122.19 1r16 h VAL 10 Ca 0.22 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1r16 h VAL 10 Cb -0.08 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1r16 h VAL 10 CO -0.05 0.27 -0.08 0.15 0.02 0.00 0.00 177.57 177.89 1r16 h PHE 11 N 0.74 -0.20 -0.68 1.57 3.04 -0.66 -0.35 116.94 120.39 1r16 h PHE 11 Ca 0.18 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.05 1r16 h PHE 11 Cb 0.22 0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.77 1r16 h PHE 11 CO 0.01 -0.10 0.13 -0.07 -2.02 0.00 0.00 178.31 176.26 1r16 h LEU 12 N -0.25 1.07 0.21 0.59 3.38 -1.20 0.10 115.31 119.21 1r16 h LEU 12 Ca -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1r16 h LEU 12 Cb 0.20 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1r16 h LEU 12 CO 0.04 1.05 -0.10 1.23 0.09 0.00 0.00 178.44 180.74 1r16 h GLY 13 N 1.05 -0.29 1.16 0.83 0.00 -0.84 -1.32 103.07 103.65 1r16 h GLY 13 Ca 0.21 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 1r16 h GLY 13 CO 0.01 -0.11 0.52 3.21 0.00 0.00 0.00 176.54 180.17 1r16 h ARG 14 N -0.38 1.12 -0.67 4.80 3.08 -0.97 -1.40 114.38 119.96 1r16 h ARG 14 Ca -0.03 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1r16 h ARG 14 Cb 0.29 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1r16 h ARG 14 CO 0.05 0.77 0.16 0.00 -1.07 0.00 0.00 179.97 179.88 1r16 h LYS 16 N 1.00 0.75 -0.38 0.00 1.63 -1.07 -1.59 116.57 116.91 1r16 h LYS 16 Ca 0.21 -0.60 0.03 0.00 -0.85 0.00 0.00 60.65 59.44 1r16 h LYS 16 Cb 0.36 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.08 1r16 h LYS 16 CO 0.00 1.21 0.19 0.22 -3.45 0.00 0.00 179.45 177.63 1r16 h ASP 17 N 0.52 0.29 0.05 4.20 3.58 -1.11 -2.42 116.42 121.52 1r16 h ASP 17 Ca -0.04 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1r16 h ASP 17 Cb 1.37 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1r16 h ASP 17 CO 0.15 0.21 -0.02 0.22 -2.88 0.00 0.00 179.24 176.92 1r16 h TYR 18 N 0.39 -0.06 -0.30 0.28 5.03 -0.93 -0.05 116.97 121.34 1r16 h TYR 18 Ca 0.16 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.54 1r16 h TYR 18 Cb 0.06 0.02 -0.08 0.00 1.55 0.00 0.00 36.73 38.28 1r16 h TYR 18 CO -0.10 0.10 -0.21 1.49 -1.32 0.00 0.00 178.16 178.12 1r16 h GLU 19 N -0.21 -0.18 0.00 1.82 4.81 -1.09 -2.04 114.58 117.70 1r16 h GLU 19 Ca -0.01 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.04 1r16 h GLU 19 Cb 0.18 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1r16 h GLU 19 CO 0.01 -0.12 -1.11 0.82 -0.73 0.00 0.00 179.01 177.88 1r16 h ILE 20 N -0.18 1.15 0.00 2.32 1.08 -1.47 -3.43 117.51 116.97 1r16 h ILE 20 Ca 0.16 -2.78 0.00 0.00 -0.39 0.00 0.00 64.86 61.85 1r16 h ILE 20 Cb 0.43 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 1r16 h ILE 20 CO -0.41 0.66 0.00 0.35 -0.69 0.00 0.00 178.15 178.05 1r16 n THR 21 N -3.18 0.00 -4.48 -0.27 -2.24 -0.03 -5.02 114.28 99.05 1r16 n THR 21 Ca -0.05 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.17 1r16 n THR 21 Cb 0.90 1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 70.17 1r16 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1r16 s ARG 22 N -0.34 2.86 -1.24 -0.78 1.81 -0.78 -4.61 118.95 115.87 1r16 s ARG 22 Ca 0.00 -0.48 -0.05 0.00 -1.72 0.00 0.00 55.73 53.47 1r16 s ARG 22 Cb 0.00 -2.69 0.04 0.00 -0.45 0.00 0.00 34.95 31.84 1r16 s ARG 22 CO 0.00 0.68 0.33 0.66 -0.68 0.00 0.00 175.30 176.29 1r16 n TYR 23 N 2.13 -1.68 -0.21 -0.53 4.02 -1.26 -4.83 117.16 114.81 1r16 n TYR 23 Ca -0.18 0.30 0.09 0.00 -0.01 0.00 0.00 57.90 58.10 1r16 n TYR 23 Cb 0.53 -3.11 0.38 0.00 -0.02 0.00 0.00 39.34 37.11 1r16 n TYR 23 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1r16 h LEU 24 N -0.67 0.63 -2.90 7.72 3.38 -1.83 0.46 115.31 122.10 1r16 h LEU 24 Ca -0.39 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1r16 h LEU 24 Cb 1.27 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1r16 h LEU 24 CO 0.47 0.38 0.00 0.47 0.09 0.00 0.00 178.44 179.85 1r16 n ASP 25 N -4.50 3.36 -0.05 -0.43 8.00 -1.26 -4.63 116.55 117.04 1r16 n ASP 25 Ca 0.13 -2.10 -0.08 0.00 0.71 0.00 0.00 54.79 53.44 1r16 n ASP 25 Cb 0.33 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 1r16 n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1r16 n ILE 26 N 0.74 0.56 -4.43 0.53 5.41 -0.31 -5.05 119.36 116.82 1r16 n ILE 26 Ca 0.16 -0.19 -0.22 0.00 1.00 0.00 0.00 62.75 63.50 1r16 n ILE 26 Cb 0.54 -1.10 -0.13 0.00 -0.71 0.00 0.00 39.64 38.24 1r16 n ILE 26 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1r16 s LEU 27 N -5.88 2.20 0.78 1.39 1.43 -0.00 -4.76 118.68 113.83 1r16 s LEU 27 Ca -0.13 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.33 1r16 s LEU 27 Cb 0.04 -0.77 0.06 0.00 0.03 0.00 0.00 46.19 45.55 1r16 s LEU 27 CO 0.21 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.79 1r16 s PRO 28 N -1.33 2.21 0.61 1.29 0.04 -1.26 -4.66 135.00 131.91 1r16 s PRO 28 Ca 0.04 1.16 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 1r16 s PRO 28 Cb -0.09 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1r16 s PRO 28 CO 0.02 -1.67 1.05 1.03 0.04 0.00 0.00 177.00 177.47 1r16 s ARG 29 N -4.90 3.30 -0.01 4.56 1.81 -1.26 -4.95 118.95 117.50 1r16 s ARG 29 Ca 0.61 1.08 -0.12 0.00 -1.72 0.00 0.00 55.73 55.58 1r16 s ARG 29 Cb -0.17 -2.04 -0.05 0.00 -0.45 0.00 0.00 34.95 32.24 1r16 s ARG 29 CO 0.56 -0.82 0.36 0.08 -0.68 0.00 0.00 175.30 174.80 1r16 s VAL 30 N -2.68 5.13 0.11 3.52 1.01 -1.26 -5.01 120.40 121.21 1r16 s VAL 30 Ca 0.61 0.65 -0.13 0.00 0.00 0.00 0.00 61.98 63.11 1r16 s VAL 30 Cb -0.14 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1r16 s VAL 30 CO 0.42 0.53 1.43 -0.09 0.00 0.00 0.00 175.10 177.40 1r16 h ARG 31 N 4.56 0.79 -6.94 2.72 2.43 -1.95 -3.45 114.38 112.54 1r16 h ARG 31 Ca -0.52 -0.43 -0.53 0.00 -0.81 0.00 0.00 59.98 57.69 1r16 h ARG 31 Cb 1.22 0.02 0.09 0.00 -0.42 0.00 0.00 29.97 30.88 1r16 h ARG 31 CO 0.62 1.06 0.66 -1.12 -1.51 0.00 0.00 179.97 179.68 1r16 s SER 32 N -6.68 6.35 0.63 -3.80 0.01 -1.26 -5.01 113.70 103.94 1r16 s SER 32 Ca -0.12 2.78 -0.10 0.00 1.31 0.00 0.00 55.95 59.82 1r16 s SER 32 Cb 0.10 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1r16 s SER 32 CO 0.85 -0.84 1.01 1.51 0.41 0.00 0.00 173.24 176.19 1r16 s ASP 33 N -0.54 5.91 0.37 2.44 -4.77 -1.26 -4.82 116.67 113.99 1r16 s ASP 33 Ca 0.55 1.20 0.09 0.00 -3.30 0.00 0.00 52.55 51.09 1r16 s ASP 33 Cb -0.41 -2.19 0.84 0.00 -1.09 0.00 0.00 42.92 40.07 1r16 s ASP 33 CO 0.54 -1.02 1.90 0.00 0.70 0.00 0.00 175.17 177.29 1r16 h SER 35 N 0.66 0.00 -0.18 0.00 4.64 -1.98 -1.47 113.55 115.23 1r16 h SER 35 Ca 0.40 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.57 1r16 h SER 35 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1r16 h SER 35 CO -0.17 0.43 -0.49 0.00 -0.87 0.00 0.00 176.83 175.74 1r16 h ALA 36 N 1.57 0.30 -0.83 5.18 0.00 -1.51 -2.25 119.26 121.73 1r16 h ALA 36 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1r16 h ALA 36 Cb 0.79 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1r16 h ALA 36 CO 0.06 0.47 0.42 -0.07 0.00 0.00 0.00 179.25 180.12 1r16 h LEU 37 N 0.33 1.06 -0.11 0.00 3.38 -1.00 -1.96 115.31 117.00 1r16 h LEU 37 Ca -0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1r16 h LEU 37 Cb 1.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1r16 h LEU 37 CO 0.10 0.88 0.06 -0.25 0.09 0.00 0.00 178.44 179.33 1r16 h TRP 38 N 1.16 0.15 -0.55 1.13 2.91 -1.26 -0.44 115.95 119.05 1r16 h TRP 38 Ca 0.29 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.37 1r16 h TRP 38 Cb 0.08 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 28.63 1r16 h TRP 38 CO 0.01 0.16 0.25 0.87 -1.03 0.00 0.00 178.44 178.70 1r16 h LYS 39 N 0.09 0.46 -0.45 2.65 1.57 -1.17 -0.08 116.57 119.65 1r16 h LYS 39 Ca 0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1r16 h LYS 39 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1r16 h LYS 39 CO -0.01 0.30 0.18 -0.44 -0.57 0.00 0.00 179.45 178.91 1r16 h ASP 40 N 0.47 0.62 -0.04 0.86 3.32 -1.16 -1.85 116.42 118.64 1r16 h ASP 40 Ca 0.26 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1r16 h ASP 40 Cb 0.23 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1r16 h ASP 40 CO -0.21 0.61 0.03 0.15 -1.72 0.00 0.00 179.24 178.10 1r16 h PHE 41 N 0.58 0.05 -0.57 4.55 3.57 -0.69 -2.46 116.94 121.97 1r16 h PHE 41 Ca 0.15 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1r16 h PHE 41 Cb 0.19 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1r16 h PHE 41 CO 0.00 0.07 0.15 0.35 -2.23 0.00 0.00 178.31 176.64 1r16 h PHE 42 N 0.03 0.90 -0.45 0.41 3.57 -1.02 -2.29 116.94 118.08 1r16 h PHE 42 Ca 0.01 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 1r16 h PHE 42 Cb 0.03 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 1r16 h PHE 42 CO -0.07 0.75 -0.05 -0.22 -2.23 0.00 0.00 178.31 176.49 1r16 h LYS 43 N 0.84 0.77 -0.66 1.11 3.64 -1.22 -1.22 116.57 119.83 1r16 h LYS 43 Ca 0.19 -0.23 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1r16 h LYS 43 Cb 0.29 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 1r16 h LYS 43 CO -0.00 0.81 0.32 0.00 -2.27 0.00 0.00 179.45 178.30 1r16 h ALA 44 N 1.23 0.89 0.00 5.00 0.00 -0.92 -3.32 119.26 122.15 1r16 h ALA 44 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1r16 h ALA 44 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1r16 h ALA 44 CO 0.03 -0.08 -0.87 1.97 0.00 0.00 0.00 179.25 180.30 1r16 n PHE 45 N -4.89 0.00 -1.80 0.00 -1.74 -1.20 -4.77 117.46 103.05 1r16 n PHE 45 Ca 0.10 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.66 1r16 n PHE 45 Cb 0.25 -0.09 0.04 0.00 1.52 0.00 0.00 39.48 41.20 1r16 n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1r16 s SER 46 N -2.31 5.21 -1.46 5.98 1.04 -0.47 -3.49 113.70 118.20 1r16 s SER 46 Ca -0.00 1.98 -0.08 0.00 0.48 0.00 0.00 55.95 58.32 1r16 s SER 46 Cb 0.05 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.66 1r16 s SER 46 CO 0.31 -1.56 0.75 0.49 0.98 0.00 0.00 173.24 174.22 1r16 n PHE 47 N -2.35 -2.16 -3.86 5.02 3.72 -0.55 -4.93 117.46 112.37 1r16 n PHE 47 Ca 0.10 0.67 -0.12 0.00 -0.05 0.00 0.00 57.45 58.05 1r16 n PHE 47 Cb 0.52 -4.16 -0.12 0.00 -0.94 0.00 0.00 39.48 34.78 1r16 n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1r16 s LYS 48 N -6.05 0.25 0.21 -1.08 1.02 -1.21 -4.74 119.74 108.14 1r16 s LYS 48 Ca 0.44 -0.06 -0.30 0.00 0.02 0.00 0.00 55.97 56.07 1r16 s LYS 48 Cb -0.21 0.11 -0.09 0.00 -0.52 0.00 0.00 37.83 37.12 1r16 s LYS 48 CO 0.55 -0.05 1.36 1.21 -0.92 0.00 0.00 175.35 177.50 1r16 s ASN 49 N -0.48 6.81 0.51 2.83 2.47 -1.26 -3.20 114.94 122.61 1r16 s ASN 49 Ca -0.06 2.49 0.20 0.00 0.42 0.00 0.00 52.86 55.92 1r16 s ASN 49 Cb -0.04 -2.61 1.29 0.00 -1.45 0.00 0.00 41.25 38.44 1r16 s ASN 49 CO 0.00 -0.59 2.05 1.55 -3.72 0.00 0.00 177.10 176.39 1r16 h PRO 50 N 5.33 0.07 0.00 0.43 0.13 -1.93 0.16 132.00 136.19 1r16 h PRO 50 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1r16 h PRO 50 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1r16 h PRO 50 CO 0.78 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.59 1r16 n ASP 52 N -1.37 1.92 -4.79 0.00 9.92 0.05 -4.65 116.55 117.63 1r16 n ASP 52 Ca 0.05 -1.50 -0.32 0.00 -0.53 0.00 0.00 54.79 52.48 1r16 n ASP 52 Cb 0.13 0.14 0.04 0.00 -0.64 0.00 0.00 41.12 40.78 1r16 n ASP 52 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1r16 s LEU 53 N -2.22 3.38 0.33 0.64 1.43 -0.99 -5.01 118.68 116.24 1r16 s LEU 53 Ca 0.28 1.86 -0.01 0.00 -1.03 0.00 0.00 54.13 55.23 1r16 s LEU 53 Cb 0.20 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.88 1r16 s LEU 53 CO 0.42 -1.44 0.43 1.51 0.23 0.00 0.00 176.35 177.50 1r16 s ASP 54 N -2.87 0.96 0.64 2.29 1.47 -1.26 -3.55 116.67 114.35 1r16 s ASP 54 Ca 0.64 -1.50 0.32 0.00 1.18 0.00 0.00 52.55 53.19 1r16 s ASP 54 Cb -0.18 0.63 1.74 0.00 -0.34 0.00 0.00 42.92 44.77 1r16 s ASP 54 CO 0.42 -1.23 2.03 0.25 0.68 0.00 0.00 175.17 177.32 1r16 h LEU 55 N 2.15 0.00 -0.53 2.11 5.85 -1.85 -1.12 115.31 121.91 1r16 h LEU 55 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1r16 h LEU 55 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1r16 h LEU 55 CO 0.39 0.00 -0.39 0.61 -0.34 0.00 0.00 178.44 178.71 1r16 n GLY 56 N -1.28 -0.55 0.27 3.75 0.00 -1.26 -4.43 105.19 101.69 1r16 n GLY 56 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.57 1r16 n GLY 56 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r16 h SER 57 N 1.30 0.46 -0.70 1.61 0.02 -1.55 -1.99 113.55 112.71 1r16 h SER 57 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1r16 h SER 57 Cb 0.57 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1r16 h SER 57 CO 0.00 0.26 0.00 -1.22 -1.14 0.00 0.00 176.83 174.73 1r16 n TYR 58 N -4.87 1.11 -0.18 3.45 4.01 -1.26 -4.57 117.16 114.85 1r16 n TYR 58 Ca 0.11 -0.53 -0.02 0.00 -0.16 0.00 0.00 57.90 57.31 1r16 n TYR 58 Cb 0.29 -0.07 0.08 0.00 -0.31 0.00 0.00 39.34 39.33 1r16 n TYR 58 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1r16 h LYS 59 N 4.15 0.39 -0.37 -0.72 3.64 -1.58 -1.94 116.57 120.13 1r16 h LYS 59 Ca 0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1r16 h LYS 59 Cb 1.11 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1r16 h LYS 59 CO 0.07 0.26 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.91 1r16 h ASP 60 N 0.40 0.66 -0.05 4.20 3.32 -1.82 -1.59 116.42 121.54 1r16 h ASP 60 Ca 0.27 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1r16 h ASP 60 Cb 0.30 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1r16 h ASP 60 CO -0.27 0.83 0.03 0.15 -1.72 0.00 0.00 179.24 178.26 1r16 h PHE 61 N 0.60 0.07 -0.02 4.55 3.57 -1.77 -2.35 116.94 121.60 1r16 h PHE 61 Ca 0.10 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1r16 h PHE 61 Cb 0.60 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1r16 h PHE 61 CO 0.03 0.10 -0.25 0.74 -2.23 0.00 0.00 178.31 176.69 1r16 h PHE 62 N 0.02 0.03 -0.61 0.41 0.04 -1.18 0.03 116.94 115.67 1r16 h PHE 62 Ca 0.02 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 1r16 h PHE 62 Cb 0.05 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 1r16 h PHE 62 CO -0.06 0.29 0.16 1.15 -0.60 0.00 0.00 178.31 179.25 1r16 h THR 63 N 0.03 1.25 -0.36 -1.55 2.02 -1.02 -0.29 112.91 112.98 1r16 h THR 63 Ca 0.00 -0.89 -0.15 0.00 0.77 0.00 0.00 66.41 66.14 1r16 h THR 63 Cb 0.47 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1r16 h THR 63 CO 0.03 0.34 -0.37 0.28 0.37 0.00 0.00 175.52 176.16 1r16 h SER 64 N 0.89 0.90 0.52 4.18 0.02 -0.92 -3.29 113.55 115.86 1r16 h SER 64 Ca 0.19 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1r16 h SER 64 Cb 0.34 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1r16 h SER 64 CO -0.00 1.17 -0.34 0.00 -1.14 0.00 0.00 176.83 176.52 1r16 n ALA 65 N -2.53 3.20 -2.17 3.77 0.00 -0.05 -4.67 120.51 118.05 1r16 n ALA 65 Ca -0.02 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1r16 n ALA 65 Cb 0.53 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 1r16 n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1r16 s GLN 66 N -2.86 4.32 0.06 0.00 2.00 -0.14 -4.62 119.66 118.41 1r16 s GLN 66 Ca 0.16 2.07 0.03 0.00 -2.00 0.00 0.00 55.36 55.62 1r16 s GLN 66 Cb 0.18 -3.25 -0.04 0.00 0.80 0.00 0.00 33.01 30.71 1r16 s GLN 66 CO 0.62 -0.43 0.02 -0.65 -0.50 0.00 0.00 175.29 174.34 1r16 s GLN 67 N 1.08 2.70 0.37 1.67 -0.21 -1.26 -5.02 119.66 118.98 1r16 s GLN 67 Ca 0.64 -0.73 -0.26 0.00 0.02 0.00 0.00 55.36 55.03 1r16 s GLN 67 Cb -0.37 -2.62 -0.09 0.00 1.00 0.00 0.00 33.01 30.93 1r16 s GLN 67 CO 0.30 0.58 1.13 -0.65 -2.12 0.00 0.00 175.29 174.53 1r16 s GLN 68 N -2.06 4.23 -0.01 2.91 -0.21 -1.26 -4.99 119.66 118.26 1r16 s GLN 68 Ca 0.24 1.77 0.00 0.00 0.02 0.00 0.00 55.36 57.39 1r16 s GLN 68 Cb -0.12 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.08 1r16 s GLN 68 CO 0.16 -0.14 0.03 -0.51 -2.12 0.00 0.00 175.29 172.71 1r16 s LEU 69 N -2.25 3.65 0.32 2.90 1.43 -1.26 -4.54 118.68 118.92 1r16 s LEU 69 Ca 0.54 0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 53.41 1r16 s LEU 69 Cb -0.29 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.75 1r16 s LEU 69 CO 0.37 0.29 1.35 -2.16 0.23 0.00 0.00 176.35 176.43 1r16 s PRO 70 N -1.53 4.31 0.30 1.29 0.04 -1.26 -4.75 135.00 133.40 1r16 s PRO 70 Ca 0.20 2.27 -0.29 0.00 0.04 0.00 0.00 61.00 63.22 1r16 s PRO 70 Cb -0.12 -3.07 -0.13 0.00 0.04 0.00 0.00 34.50 31.22 1r16 s PRO 70 CO 0.10 -0.27 1.26 1.17 0.04 0.00 0.00 177.00 179.30 1r16 n LYS 71 N 1.14 1.92 -0.83 4.56 4.81 -1.26 -2.62 118.16 125.88 1r16 n LYS 71 Ca 0.02 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1r16 n LYS 71 Cb 0.41 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.23 1r16 n LYS 71 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1r16 n ASN 72 N 1.23 -3.24 -0.22 3.14 3.02 -0.29 -4.85 115.26 114.06 1r16 n ASN 72 Ca 0.08 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.70 1r16 n ASN 72 Cb 0.34 -2.64 -0.04 0.00 -0.61 0.00 0.00 39.78 36.83 1r16 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1r16 n LYS 73 N -0.62 1.73 -2.35 3.52 5.02 -1.08 -4.66 118.16 119.72 1r16 n LYS 73 Ca 0.00 -0.48 -0.41 0.00 -2.02 0.00 0.00 58.31 55.40 1r16 n LYS 73 Cb 0.25 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1r16 n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r16 s VAL 74 N -2.16 3.43 0.04 -0.18 1.01 -1.26 -0.71 120.40 120.57 1r16 s VAL 74 Ca 0.10 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.42 1r16 s VAL 74 Cb 0.13 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1r16 s VAL 74 CO 0.51 0.23 -0.20 -0.32 0.00 0.00 0.00 175.10 175.32 1r16 s MET 75 N -0.63 1.41 0.20 2.72 0.00 -0.43 -1.72 119.30 120.85 1r16 s MET 75 Ca 0.51 -0.90 0.09 0.00 0.00 0.00 0.00 55.69 55.39 1r16 s MET 75 Cb -0.34 -1.49 -0.04 0.00 0.00 0.00 0.00 34.83 32.96 1r16 s MET 75 CO 0.39 0.39 -0.18 -0.06 0.00 0.00 0.00 175.02 175.56 1r16 s PHE 76 N -0.76 1.92 0.10 4.11 0.08 0.52 -4.56 117.98 119.40 1r16 s PHE 76 Ca 0.07 -0.46 -0.15 0.00 0.12 0.00 0.00 56.93 56.51 1r16 s PHE 76 Cb -0.09 -0.92 0.03 0.00 -0.57 0.00 0.00 43.02 41.47 1r16 s PHE 76 CO 0.01 0.42 0.36 1.67 -0.10 0.00 0.00 175.22 177.59 1r16 s TRP 77 N -2.32 -0.15 -0.15 0.36 1.48 -1.26 -1.17 118.94 115.72 1r16 s TRP 77 Ca 0.20 -0.13 -0.06 0.00 -1.06 0.00 0.00 56.10 55.06 1r16 s TRP 77 Cb -0.05 0.19 0.07 0.00 -1.16 0.00 0.00 33.47 32.53 1r16 s TRP 77 CO 0.08 -0.64 0.33 -1.12 -4.06 0.00 0.00 176.95 171.54 1r16 s SER 78 N -2.63 0.00 0.00 -2.66 0.01 -0.66 -4.86 113.70 102.90 1r16 s SER 78 Ca 0.01 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1r16 s SER 78 Cb 0.02 0.90 0.00 0.00 0.21 0.00 0.00 66.02 67.14 1r16 s SER 78 CO -0.10 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1r16 n GLY 79 N 5.15 0.45 2.67 3.44 0.00 -1.26 -3.24 105.19 112.39 1r16 n GLY 79 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1r16 n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r16 n VAL 80 N -2.22 1.33 -0.18 1.61 0.24 -1.26 -4.77 118.33 113.07 1r16 n VAL 80 Ca 0.00 -3.23 -0.04 0.00 -2.04 0.00 0.00 64.34 59.03 1r16 n VAL 80 Cb 0.09 0.65 0.02 0.00 -1.47 0.00 0.00 33.84 33.13 1r16 n VAL 80 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1r16 h TYR 81 N 2.74 -0.75 0.08 6.34 5.03 -1.96 -0.59 116.97 127.86 1r16 h TYR 81 Ca -0.05 0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 1r16 h TYR 81 Cb 1.22 0.41 0.00 0.00 1.55 0.00 0.00 36.73 39.92 1r16 h TYR 81 CO 0.55 -0.35 -0.04 -0.44 -1.32 0.00 0.00 178.16 176.56 1r16 h ASP 82 N -0.14 -0.09 -0.77 -2.11 3.32 -2.00 -2.32 116.42 112.32 1r16 h ASP 82 Ca 0.24 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1r16 h ASP 82 Cb 0.53 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1r16 h ASP 82 CO -0.64 0.11 0.44 -0.33 -1.72 0.00 0.00 179.24 177.10 1r16 h GLU 83 N -0.29 1.06 -0.64 3.56 3.07 -1.92 -0.61 114.58 118.81 1r16 h GLU 83 Ca -0.01 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 1r16 h GLU 83 Cb 0.25 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1r16 h GLU 83 CO 0.02 0.77 0.23 0.00 -1.40 0.00 0.00 179.01 178.63 1r16 h ALA 84 N 1.23 0.83 -0.30 3.43 0.00 -1.09 -1.34 119.26 122.01 1r16 h ALA 84 Ca 0.27 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1r16 h ALA 84 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1r16 h ALA 84 CO -0.05 0.47 -0.32 0.45 0.00 0.00 0.00 179.25 179.81 1r16 h HIS 85 N 0.90 0.75 -0.31 0.00 3.86 -1.19 -0.52 115.15 118.65 1r16 h HIS 85 Ca 0.21 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1r16 h HIS 85 Cb 0.25 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1r16 h HIS 85 CO 0.02 0.89 0.01 -0.44 0.86 0.00 0.00 177.93 179.26 1r16 h ASP 86 N 0.55 0.53 -0.58 2.45 3.32 -0.86 -2.32 116.42 119.52 1r16 h ASP 86 Ca 0.06 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 1r16 h ASP 86 Cb 0.82 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1r16 h ASP 86 CO 0.07 0.70 0.12 0.22 -1.72 0.00 0.00 179.24 178.63 1r16 h TYR 87 N 0.34 1.02 -0.31 4.55 3.20 -1.11 -2.67 116.97 121.99 1r16 h TYR 87 Ca 0.09 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1r16 h TYR 87 Cb 0.42 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1r16 h TYR 87 CO 0.03 0.86 -0.02 0.00 -1.64 0.00 0.00 178.16 177.39 1r16 h ALA 88 N 1.20 1.40 -5.52 1.82 0.00 -0.97 -3.43 119.26 113.77 1r16 h ALA 88 Ca 0.19 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1r16 h ALA 88 Cb 0.37 -0.14 0.19 0.00 0.00 0.00 0.00 17.79 18.21 1r16 h ALA 88 CO 0.01 0.42 -0.85 -1.71 0.00 0.00 0.00 179.25 177.11 1r16 n ASN 89 N -4.29 -5.95 -4.05 0.00 5.15 -0.88 -1.57 115.26 103.67 1r16 n ASN 89 Ca 0.01 -0.71 -0.32 0.00 -0.60 0.00 0.00 54.58 52.96 1r16 n ASN 89 Cb 0.24 -5.11 -0.03 0.00 -0.53 0.00 0.00 39.78 34.36 1r16 n ASN 89 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1r16 n THR 90 N -3.40 -2.80 -0.11 -0.44 -1.04 -1.26 -1.22 114.28 104.01 1r16 n THR 90 Ca -0.10 -0.59 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 1r16 n THR 90 Cb 0.63 -2.34 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 1r16 n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r16 n GLY 91 N -2.14 2.70 0.18 3.41 0.00 -1.21 -4.89 105.19 103.23 1r16 n GLY 91 Ca -0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1r16 n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1r16 h ARG 92 N 2.05 0.46 0.00 1.61 -0.00 -1.19 -3.39 114.38 113.92 1r16 h ARG 92 Ca 0.00 -0.39 -0.22 0.00 -0.50 0.00 0.00 59.98 58.88 1r16 h ARG 92 Cb 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 29.97 30.02 1r16 h ARG 92 CO 0.00 1.02 -1.66 1.17 0.00 0.00 0.00 179.97 180.50 1r16 n LYS 93 N -3.85 0.49 -4.25 0.04 4.81 -0.61 -5.05 118.16 109.75 1r16 n LYS 93 Ca -0.05 0.21 -0.14 0.00 -0.87 0.00 0.00 58.31 57.46 1r16 n LYS 93 Cb 0.72 -1.34 -0.10 0.00 0.02 0.00 0.00 35.03 34.33 1r16 n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1r16 s TYR 94 N -2.61 1.25 -0.11 5.64 2.02 -0.88 -4.94 117.35 117.72 1r16 s TYR 94 Ca -0.30 -0.88 -0.07 0.00 -0.37 0.00 0.00 57.07 55.46 1r16 s TYR 94 Cb 0.09 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 1r16 s TYR 94 CO 0.40 -0.05 0.14 0.42 -1.57 0.00 0.00 175.55 174.89 1r16 s ILE 95 N -3.47 5.45 0.40 2.71 -1.09 0.11 -3.34 121.20 121.98 1r16 s ILE 95 Ca 0.20 0.17 0.07 0.00 -2.23 0.00 0.00 60.65 58.86 1r16 s ILE 95 Cb 0.04 -3.38 -0.08 0.00 -1.58 0.00 0.00 42.46 37.47 1r16 s ILE 95 CO 0.02 0.61 0.01 0.42 -1.23 0.00 0.00 174.94 174.77 1r16 s THR 96 N -1.04 1.96 0.33 2.92 -4.23 -1.26 -1.32 115.64 113.01 1r16 s THR 96 Ca 0.15 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1r16 s THR 96 Cb -0.12 -2.97 0.23 0.00 1.34 0.00 0.00 72.50 70.97 1r16 s THR 96 CO 0.05 -0.01 1.95 0.25 -0.54 0.00 0.00 174.62 176.32 1r16 h LEU 97 N 1.80 0.71 -0.77 4.79 5.85 -1.98 -1.64 115.31 124.07 1r16 h LEU 97 Ca -0.44 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1r16 h LEU 97 Cb 1.24 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1r16 h LEU 97 CO 0.80 0.58 0.00 -0.62 -0.34 0.00 0.00 178.44 178.86 1r16 n GLU 98 N -4.38 0.12 0.02 1.25 4.71 -1.26 -1.32 120.64 119.77 1r16 n GLU 98 Ca 0.05 0.50 0.12 0.00 -0.01 0.00 0.00 57.16 57.81 1r16 n GLU 98 Cb 0.11 -1.79 0.12 0.00 -1.01 0.00 0.00 31.44 28.87 1r16 n GLU 98 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1r16 n ASP 99 N -2.03 0.62 -4.88 1.62 8.00 -0.62 -3.19 116.55 116.08 1r16 n ASP 99 Ca 0.01 -0.21 -0.31 0.00 0.71 0.00 0.00 54.79 54.99 1r16 n ASP 99 Cb 0.11 0.48 0.03 0.00 -0.02 0.00 0.00 41.12 41.72 1r16 n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1r16 s THR 100 N -3.11 4.18 0.13 -3.53 -4.23 -0.43 -4.83 115.64 103.82 1r16 s THR 100 Ca 0.07 0.69 -0.21 0.00 -1.18 0.00 0.00 61.69 61.06 1r16 s THR 100 Cb 0.15 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.28 1r16 s THR 100 CO 0.75 -0.92 1.68 0.25 -0.54 0.00 0.00 174.62 175.85 1r16 h LEU 101 N -0.45 -0.37 -0.72 4.79 5.85 -1.85 0.44 115.31 123.00 1r16 h LEU 101 Ca -0.44 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.24 1r16 h LEU 101 Cb 1.22 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 1r16 h LEU 101 CO 0.63 -0.15 -0.26 1.55 -0.34 0.00 0.00 178.44 179.87 1r16 h PRO 102 N -0.11 0.70 -0.50 5.25 0.13 -1.89 -1.29 132.00 134.29 1r16 h PRO 102 Ca 0.10 -0.29 -0.07 0.00 -0.87 0.00 0.00 66.00 64.87 1r16 h PRO 102 Cb 0.26 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 1r16 h PRO 102 CO -0.24 0.89 0.02 0.78 -0.23 0.00 0.00 178.00 179.21 1r16 h GLY 103 N 0.98 0.88 1.17 1.56 0.00 -1.57 -2.37 103.07 103.72 1r16 h GLY 103 Ca 0.08 -0.58 -0.23 0.00 0.00 0.00 0.00 47.33 46.60 1r16 h GLY 103 CO 0.06 0.54 -0.80 -1.82 0.00 0.00 0.00 176.54 174.51 1r16 h TYR 104 N 0.77 1.07 -0.25 5.60 5.03 -0.81 -1.44 116.97 126.95 1r16 h TYR 104 Ca 0.15 -0.49 -0.01 0.00 2.58 0.00 0.00 58.73 60.97 1r16 h TYR 104 Cb 0.43 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 1r16 h TYR 104 CO 0.02 1.32 0.12 0.52 -1.32 0.00 0.00 178.16 178.82 1r16 h MET 105 N 0.52 0.36 -0.01 1.82 2.86 -1.11 -3.27 114.93 116.11 1r16 h MET 105 Ca -0.06 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1r16 h MET 105 Cb 1.44 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1r16 h MET 105 CO 0.17 0.37 -0.50 1.28 1.06 0.00 0.00 176.91 179.28 1r16 n LEU 106 N -4.81 1.40 -4.64 1.22 7.99 -0.91 -4.84 117.00 112.41 1r16 n LEU 106 Ca -0.03 -0.49 -0.55 0.00 -0.01 0.00 0.00 56.01 54.94 1r16 n LEU 106 Cb 0.10 -0.06 -0.07 0.00 -0.11 0.00 0.00 43.42 43.29 1r16 n LEU 106 CO 0.35 0.27 1.06 -3.20 -1.51 0.00 0.00 177.39 174.36 1r16 n ASN 107 N -0.61 1.86 0.00 -1.43 4.05 -0.54 -1.32 115.26 117.28 1r16 n ASN 107 Ca 0.09 1.10 0.00 0.00 0.45 0.00 0.00 54.58 56.22 1r16 n ASN 107 Cb 0.40 -1.16 0.00 0.00 1.23 0.00 0.00 39.78 40.25 1r16 n ASN 107 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1r16 n SER 108 N 3.59 -0.53 -4.89 1.20 7.64 -1.26 -5.00 113.62 114.36 1r16 n SER 108 Ca 0.22 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.81 1r16 n SER 108 Cb 0.16 -1.61 0.01 0.00 -1.01 0.00 0.00 64.21 61.77 1r16 n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1r16 s LEU 109 N 0.00 3.34 -0.05 -3.43 1.43 -0.43 -5.04 118.68 114.50 1r16 s LEU 109 Ca 0.00 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 1r16 s LEU 109 Cb 0.00 -4.02 0.02 0.00 0.03 0.00 0.00 46.19 42.22 1r16 s LEU 109 CO 0.00 -0.85 -0.06 -0.69 0.23 0.00 0.00 176.35 174.98 1r16 s VAL 110 N -3.00 0.69 0.15 -1.59 1.01 -1.26 -4.99 120.40 111.40 1r16 s VAL 110 Ca 0.52 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1r16 s VAL 110 Cb -0.11 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1r16 s VAL 110 CO 0.49 0.26 0.31 -1.66 0.00 0.00 0.00 175.10 174.49 1r16 s TRP 111 N 0.89 0.23 -0.26 5.22 -2.14 -1.26 -0.97 118.94 120.66 1r16 s TRP 111 Ca -0.11 -0.60 -0.25 0.00 2.66 0.00 0.00 56.10 57.79 1r16 s TRP 111 Cb -0.15 0.03 0.07 0.00 -3.10 0.00 0.00 33.47 30.32 1r16 s TRP 111 CO 0.01 -0.71 0.72 0.00 -2.66 0.00 0.00 176.95 174.30 1r16 s GLY 113 N 0.29 1.75 0.12 0.00 0.00 -1.26 -1.89 107.32 106.32 1r16 s GLY 113 Ca -0.01 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 43.52 1r16 s GLY 113 CO 0.02 -0.77 0.23 -0.86 0.00 0.00 0.00 173.10 171.71 1r16 s GLN 114 N -4.98 0.98 0.18 2.90 -2.07 -0.80 -4.30 119.66 111.57 1r16 s GLN 114 Ca 0.58 -1.05 0.02 0.00 -1.82 0.00 0.00 55.36 53.09 1r16 s GLN 114 Cb -0.11 0.36 0.06 0.00 -1.09 0.00 0.00 33.01 32.23 1r16 s GLN 114 CO 0.41 -0.34 1.42 0.00 -1.32 0.00 0.00 175.29 175.47 1r16 h ARG 115 N 2.65 0.26 -6.87 9.60 2.47 -1.85 -3.00 114.38 117.64 1r16 h ARG 115 Ca -0.33 -0.24 -0.48 0.00 -1.26 0.00 0.00 59.98 57.66 1r16 h ARG 115 Cb 1.21 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.58 1r16 h ARG 115 CO 0.53 0.93 0.17 0.00 0.56 0.00 0.00 179.97 182.15 1r16 s ALA 116 N -3.41 3.26 0.42 0.04 0.00 -1.26 -4.78 121.76 116.04 1r16 s ALA 116 Ca -0.04 0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.71 1r16 s ALA 116 Cb 0.10 -2.84 -0.12 0.00 0.00 0.00 0.00 23.12 20.26 1r16 s ALA 116 CO 0.83 0.11 0.61 0.09 0.00 0.00 0.00 175.76 177.40 1r16 n ASN 117 N -0.90 -0.60 -1.26 0.00 4.13 -1.26 -0.66 115.26 114.72 1r16 n ASN 117 Ca 0.04 0.92 -0.01 0.00 1.68 0.00 0.00 54.58 57.21 1r16 n ASN 117 Cb 0.54 -1.15 0.15 0.00 -1.54 0.00 0.00 39.78 37.78 1r16 n ASN 117 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1r16 n PRO 118 N 0.50 2.34 -0.55 3.52 -0.04 -1.26 -4.85 135.00 134.67 1r16 n PRO 118 Ca 0.11 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1r16 n PRO 118 Cb 0.40 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1r16 n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r16 n GLY 119 N 0.11 0.77 3.37 0.55 0.00 0.16 -4.84 105.19 105.31 1r16 n GLY 119 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1r16 n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r16 s PHE 120 N -2.93 -0.37 -0.18 1.61 -0.71 -1.26 -1.47 117.98 112.66 1r16 s PHE 120 Ca 0.00 0.12 0.00 0.00 -1.04 0.00 0.00 56.93 56.01 1r16 s PHE 120 Cb 0.00 0.40 0.01 0.00 -1.21 0.00 0.00 43.02 42.22 1r16 s PHE 120 CO 0.00 -0.77 -0.16 1.21 -1.34 0.00 0.00 175.22 174.16 1r16 s ASN 121 N -2.74 3.43 -0.17 1.98 3.84 -0.79 -4.77 114.94 115.72 1r16 s ASN 121 Ca 0.02 -0.57 0.17 0.00 0.21 0.00 0.00 52.86 52.69 1r16 s ASN 121 Cb 0.00 -1.54 0.77 0.00 -0.55 0.00 0.00 41.25 39.94 1r16 s ASN 121 CO -0.12 0.02 1.69 -0.62 -2.79 0.00 0.00 177.10 175.28 1r16 n GLU 122 N 4.49 4.26 0.00 0.43 1.02 -1.26 -4.43 120.64 125.15 1r16 n GLU 122 Ca -0.20 -3.00 0.00 0.00 -0.02 0.00 0.00 57.16 53.94 1r16 n GLU 122 Cb 0.51 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1r16 n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r16 n LYS 123 N 0.94 2.78 -3.59 3.49 5.02 -1.26 -4.74 118.16 120.79 1r16 n LYS 123 Ca 0.27 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.40 1r16 n LYS 123 Cb 1.03 -0.89 -0.07 0.00 -0.02 0.00 0.00 35.03 35.08 1r16 n LYS 123 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1r16 s VAL 124 N -1.78 0.00 0.02 -0.18 0.11 -1.26 -4.43 120.40 112.88 1r16 s VAL 124 Ca 0.00 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 1r16 s VAL 124 Cb 0.00 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1r16 s VAL 124 CO 0.00 -0.02 -0.05 0.00 -3.33 0.00 0.00 175.10 171.70 1r16 s PRO 126 N -0.84 3.02 0.31 0.00 0.04 -1.26 -2.01 135.00 134.25 1r16 s PRO 126 Ca -0.05 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 1r16 s PRO 126 Cb -0.06 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1r16 s PRO 126 CO -0.00 -1.11 1.49 0.34 0.04 0.00 0.00 177.00 177.75 1r16 s ASP 127 N -2.01 6.50 0.00 6.66 -1.08 -1.26 -4.65 116.67 120.82 1r16 s ASP 127 Ca 0.72 2.86 0.28 0.00 -0.52 0.00 0.00 52.55 55.89 1r16 s ASP 127 Cb -0.24 -2.64 1.14 0.00 -1.46 0.00 0.00 42.92 39.71 1r16 s ASP 127 CO 0.34 -0.79 1.83 0.49 0.52 0.00 0.00 175.17 177.56 1r16 n PHE 128 N 1.62 0.00 0.30 -5.34 3.01 -1.26 -3.46 117.46 112.33 1r16 n PHE 128 Ca 0.05 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.70 1r16 n PHE 128 Cb 0.39 -0.34 0.95 0.00 -0.01 0.00 0.00 39.48 40.48 1r16 n PHE 128 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1r16 h LYS 129 N 0.15 0.00 0.00 -1.08 2.10 -2.00 0.42 116.57 116.16 1r16 h LYS 129 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1r16 h LYS 129 Cb 0.43 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1r16 h LYS 129 CO 0.00 0.02 -0.02 1.79 -2.00 0.00 0.00 179.45 179.25 1r16 h THR 130 N 0.00 0.04 -3.59 0.07 1.35 -1.96 -3.46 112.91 105.36 1r16 h THR 130 Ca -0.00 -0.66 -0.49 0.00 -0.55 0.00 0.00 66.41 64.70 1r16 h THR 130 Cb 0.22 1.63 0.03 0.00 -1.73 0.00 0.00 68.15 68.31 1r16 h THR 130 CO 0.00 0.02 0.11 0.00 -0.25 0.00 0.00 175.52 175.40 1r16 s PRO 132 N -4.62 2.76 0.23 0.00 0.04 -1.26 -4.75 135.00 127.41 1r16 s PRO 132 Ca 0.48 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 1r16 s PRO 132 Cb -0.10 -1.92 0.38 0.00 0.04 0.00 0.00 34.50 32.89 1r16 s PRO 132 CO 0.43 -1.33 1.68 -0.24 0.04 0.00 0.00 177.00 177.59 1r16 h VAL 133 N 0.36 0.54 0.00 -0.36 3.04 -1.96 -0.87 116.25 117.00 1r16 h VAL 133 Ca -0.48 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 1r16 h VAL 133 Cb 1.28 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 1r16 h VAL 133 CO 0.54 0.04 0.00 0.06 -1.01 0.00 0.00 177.57 177.20 1r16 h GLN 134 N 0.23 0.00 0.11 4.17 -0.00 -1.92 0.32 115.11 118.02 1r16 h GLN 134 Ca 0.37 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.67 1r16 h GLN 134 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.06 1r16 h GLN 134 CO -0.49 0.00 -1.88 0.00 -0.00 0.00 0.00 178.83 176.46 1r16 h ALA 135 N 2.03 0.40 -0.65 0.06 0.00 -1.25 -2.75 119.26 117.11 1r16 h ALA 135 Ca 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 54.91 53.54 1r16 h ALA 135 Cb 0.16 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1r16 h ALA 135 CO 0.00 1.21 0.35 0.00 0.00 0.00 0.00 179.25 180.81 1r16 h ARG 136 N -0.09 0.89 -0.45 0.00 3.08 -0.66 -2.20 114.38 114.95 1r16 h ARG 136 Ca -0.41 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1r16 h ARG 136 Cb 1.93 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.80 1r16 h ARG 136 CO 0.05 0.66 0.00 0.39 -1.07 0.00 0.00 179.97 180.00 1r16 n GLU 137 N -4.37 2.33 -0.16 0.04 1.02 0.04 -4.62 120.64 114.91 1r16 n GLU 137 Ca 0.06 -2.03 -0.07 0.00 -0.02 0.00 0.00 57.16 55.10 1r16 n GLU 137 Cb 0.10 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.04 1r16 n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1r16 h SER 138 N 3.66 -1.18 0.12 1.62 0.87 -1.07 0.88 113.55 118.44 1r16 h SER 138 Ca 0.00 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1r16 h SER 138 Cb 0.82 0.56 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1r16 h SER 138 CO 0.00 -0.32 -0.06 0.15 -0.53 0.00 0.00 176.83 176.07 1r16 h PHE 139 N -0.22 -0.15 0.00 2.24 3.57 -1.82 -2.91 116.94 117.66 1r16 h PHE 139 Ca 0.20 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1r16 h PHE 139 Cb 0.55 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1r16 h PHE 139 CO -0.60 0.13 -0.19 -1.49 -2.23 0.00 0.00 178.31 173.93 1r16 h TRP 140 N -1.00 0.00 -0.10 0.41 4.06 -1.88 -0.51 115.95 116.93 1r16 h TRP 140 Ca -0.02 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.87 1r16 h TRP 140 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1r16 h TRP 140 CO 0.06 0.19 -0.18 0.78 -3.56 0.00 0.00 178.44 175.72 1r16 h GLY 141 N 2.43 0.33 1.44 1.49 0.00 -0.97 -1.06 103.07 106.73 1r16 h GLY 141 Ca -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1r16 h GLY 141 CO 0.02 0.35 0.02 1.98 0.00 0.00 0.00 176.54 178.91 1r16 h MET 142 N -0.13 0.70 -0.42 4.80 1.85 -1.33 -1.89 114.93 118.51 1r16 h MET 142 Ca 0.01 -0.17 0.02 0.00 -0.61 0.00 0.00 59.70 58.95 1r16 h MET 142 Cb 0.76 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.67 1r16 h MET 142 CO 0.04 0.70 0.25 0.00 -0.40 0.00 0.00 176.91 177.50 1r16 h ALA 143 N 1.36 0.53 -0.56 0.39 0.00 -0.91 -1.81 119.26 118.25 1r16 h ALA 143 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1r16 h ALA 143 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1r16 h ALA 143 CO 0.01 -0.07 0.16 0.77 0.00 0.00 0.00 179.25 180.12 1r16 h SER 144 N 0.51 0.84 -0.32 0.00 0.02 -1.02 -2.21 113.55 111.36 1r16 h SER 144 Ca 0.17 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1r16 h SER 144 Cb -0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1r16 h SER 144 CO -0.07 0.83 0.18 0.28 -1.14 0.00 0.00 176.83 176.91 1r16 h SER 145 N 0.79 0.39 -0.38 3.07 0.02 -1.14 0.12 113.55 116.43 1r16 h SER 145 Ca 0.18 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1r16 h SER 145 Cb 0.31 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1r16 h SER 145 CO -0.00 0.36 0.03 -1.28 -1.14 0.00 0.00 176.83 174.79 1r16 h SER 146 N 0.39 0.63 0.52 3.07 0.87 -1.35 -0.56 113.55 117.12 1r16 h SER 146 Ca 0.11 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 1r16 h SER 146 Cb 0.05 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1r16 h SER 146 CO -0.02 0.76 -0.25 0.22 -0.53 0.00 0.00 176.83 177.01 1r16 h TYR 147 N 0.47 -0.65 -0.82 2.24 3.20 -1.32 -2.84 116.97 117.26 1r16 h TYR 147 Ca 0.11 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.04 1r16 h TYR 147 Cb 0.42 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1r16 h TYR 147 CO 0.03 -0.37 0.53 0.00 -1.64 0.00 0.00 178.16 176.72 1r16 h ALA 148 N -0.33 1.64 0.00 1.82 0.00 -0.74 -0.79 119.26 120.85 1r16 h ALA 148 Ca -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1r16 h ALA 148 Cb 0.57 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1r16 h ALA 148 CO 0.12 0.22 -0.08 1.25 0.00 0.00 0.00 179.25 180.76 1r16 h HIS 149 N 0.86 0.00 -0.01 0.00 -0.00 -0.96 -2.47 115.15 112.57 1r16 h HIS 149 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.73 1r16 h HIS 149 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 1r16 h HIS 149 CO -0.00 0.08 -0.17 0.43 -0.00 0.00 0.00 177.93 178.27 1r16 n SER 150 N -3.51 1.32 -4.78 3.26 7.64 -0.31 -4.72 113.62 112.53 1r16 n SER 150 Ca -0.02 -1.18 -0.37 0.00 1.01 0.00 0.00 58.87 58.31 1r16 n SER 150 Cb 0.21 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 1r16 n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r16 s ALA 151 N -2.30 3.05 0.02 -0.43 0.00 -0.93 -4.23 121.76 116.94 1r16 s ALA 151 Ca 0.29 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 1r16 s ALA 151 Cb 0.20 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1r16 s ALA 151 CO 0.45 -0.35 0.04 -1.21 0.00 0.00 0.00 175.76 174.68 1r16 s GLU 152 N -2.57 0.44 3.68 0.00 2.02 -1.26 -4.34 118.70 116.67 1r16 s GLU 152 Ca 0.60 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.92 1r16 s GLU 152 Cb -0.24 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.16 1r16 s GLU 152 CO 0.30 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.89 1r16 n GLY 153 N 1.22 0.21 3.80 -1.39 0.00 -0.23 -1.13 105.19 107.67 1r16 n GLY 153 Ca -0.22 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 1r16 n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r16 s GLU 154 N 0.00 4.37 0.15 1.61 2.02 -1.26 -1.27 118.70 124.32 1r16 s GLU 154 Ca 0.00 0.99 0.10 0.00 0.02 0.00 0.00 54.97 56.08 1r16 s GLU 154 Cb 0.00 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 1r16 s GLU 154 CO 0.00 0.45 -0.24 0.14 0.02 0.00 0.00 175.26 175.63 1r16 s VAL 155 N -1.40 2.14 0.03 2.63 -7.23 -0.21 -4.03 120.40 112.34 1r16 s VAL 155 Ca 0.41 -1.83 0.07 0.00 -1.81 0.00 0.00 61.98 58.82 1r16 s VAL 155 Cb -0.19 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 1r16 s VAL 155 CO 0.23 -0.05 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.89 1r16 s THR 156 N -1.40 2.73 -0.19 5.32 2.01 -0.70 -0.82 115.64 122.60 1r16 s THR 156 Ca 0.15 -1.17 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 1r16 s THR 156 Cb -0.09 -2.13 0.06 0.00 0.01 0.00 0.00 72.50 70.35 1r16 s THR 156 CO 0.07 0.37 0.02 -0.47 -0.69 0.00 0.00 174.62 173.92 1r16 s TYR 157 N -0.89 1.17 -0.24 4.92 5.04 0.28 -0.35 117.35 127.27 1r16 s TYR 157 Ca 0.14 -0.92 -0.12 0.00 -2.44 0.00 0.00 57.07 53.73 1r16 s TYR 157 Cb -0.10 -1.08 -0.05 0.00 0.35 0.00 0.00 41.96 41.08 1r16 s TYR 157 CO 0.04 -0.61 0.25 1.41 -1.34 0.00 0.00 175.55 175.30 1r16 s MET 158 N 1.81 4.07 0.31 4.97 -2.45 -0.32 -1.29 119.30 126.40 1r16 s MET 158 Ca -0.01 -0.12 0.09 0.00 -1.25 0.00 0.00 55.69 54.40 1r16 s MET 158 Cb -0.17 -3.58 -0.06 0.00 1.25 0.00 0.00 34.83 32.28 1r16 s MET 158 CO -0.08 -0.05 -0.11 0.14 1.05 0.00 0.00 175.02 175.97 1r16 s VAL 159 N 1.38 2.14 -0.21 10.11 -7.23 -0.00 -1.65 120.40 124.94 1r16 s VAL 159 Ca 0.11 -2.23 -0.19 0.00 -1.81 0.00 0.00 61.98 57.86 1r16 s VAL 159 Cb -0.15 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1r16 s VAL 159 CO 0.07 -0.28 0.55 -0.62 -0.31 0.00 0.00 175.10 174.51 1r16 s ASP 160 N -3.54 6.58 -0.04 4.85 -1.08 -1.20 -0.41 116.67 121.82 1r16 s ASP 160 Ca 0.31 0.70 0.13 0.00 -0.52 0.00 0.00 52.55 53.17 1r16 s ASP 160 Cb 0.01 -2.31 0.41 0.00 -1.46 0.00 0.00 42.92 39.57 1r16 s ASP 160 CO 0.15 -0.22 1.34 0.61 0.52 0.00 0.00 175.17 177.57 1r16 n GLY 161 N 3.93 2.96 0.93 2.66 0.00 0.54 -4.18 105.19 112.03 1r16 n GLY 161 Ca -0.04 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.45 1r16 n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r16 n SER 162 N 0.50 1.83 -4.20 1.61 7.64 -1.25 -1.13 113.62 118.62 1r16 n SER 162 Ca 0.16 -3.49 -0.36 0.00 1.01 0.00 0.00 58.87 56.18 1r16 n SER 162 Cb 0.56 -0.47 -0.13 0.00 -1.01 0.00 0.00 64.21 63.16 1r16 n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1r16 s ASN 163 N -3.04 5.14 0.37 6.43 3.84 -1.26 -4.83 114.94 121.58 1r16 s ASN 163 Ca 0.38 -1.40 0.27 0.00 0.21 0.00 0.00 52.86 52.33 1r16 s ASN 163 Cb 0.38 -1.80 1.17 0.00 -0.55 0.00 0.00 41.25 40.45 1r16 s ASN 163 CO -0.08 -0.35 1.82 1.55 -2.79 0.00 0.00 177.10 177.25 1r16 h PRO 164 N 8.10 0.00 0.00 0.43 0.13 -1.94 -3.08 132.00 135.65 1r16 h PRO 164 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1r16 h PRO 164 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1r16 h PRO 164 CO 0.60 0.00 -1.69 1.63 -0.23 0.00 0.00 178.00 178.31 1r16 n LYS 165 N -2.54 0.56 -3.84 0.86 5.02 -1.26 -4.85 118.16 112.11 1r16 n LYS 165 Ca 0.01 -0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 55.88 1r16 n LYS 165 Cb 0.23 -1.56 -0.15 0.00 -0.02 0.00 0.00 35.03 33.53 1r16 n LYS 165 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r16 s VAL 166 N -3.42 1.27 0.58 -0.18 1.01 -1.16 -5.12 120.40 113.37 1r16 s VAL 166 Ca -0.04 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.27 1r16 s VAL 166 Cb 0.14 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 34.62 1r16 s VAL 166 CO 0.88 -0.49 0.93 -0.81 0.00 0.00 0.00 175.10 175.62 1r16 n PRO 167 N 4.71 0.93 -0.26 2.72 -0.04 -1.26 -4.66 135.00 137.14 1r16 n PRO 167 Ca -0.04 0.36 0.06 0.00 -0.04 0.00 0.00 63.50 63.84 1r16 n PRO 167 Cb 0.43 -2.12 0.19 0.00 -0.04 0.00 0.00 33.50 31.97 1r16 n PRO 167 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r16 h ALA 168 N 0.61 1.00 -3.57 0.55 0.00 -1.90 -3.39 119.26 112.55 1r16 h ALA 168 Ca -0.48 0.17 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 1r16 h ALA 168 Cb 1.36 0.23 -0.33 0.00 0.00 0.00 0.00 17.79 19.06 1r16 h ALA 168 CO 0.51 -0.34 -0.85 -0.47 0.00 0.00 0.00 179.25 178.10 1r16 s TYR 169 N -6.03 1.99 -0.02 0.00 5.04 -1.26 -4.71 117.35 112.36 1r16 s TYR 169 Ca -0.13 -0.72 0.01 0.00 -2.44 0.00 0.00 57.07 53.79 1r16 s TYR 169 Cb 0.22 -1.36 0.02 0.00 0.35 0.00 0.00 41.96 41.18 1r16 s TYR 169 CO 0.76 -0.29 -0.01 1.03 -1.34 0.00 0.00 175.55 175.69 1r16 s ARG 170 N 0.32 0.30 0.57 4.97 0.52 -1.26 -4.84 118.95 119.52 1r16 s ARG 170 Ca -0.12 0.00 0.31 0.00 -0.52 0.00 0.00 55.73 55.39 1r16 s ARG 170 Cb -0.15 -0.41 1.72 0.00 0.52 0.00 0.00 34.95 36.63 1r16 s ARG 170 CO 0.05 -0.06 2.18 -1.00 0.02 0.00 0.00 175.30 176.50 1r16 h PRO 171 N 6.82 0.00 -0.00 3.54 0.13 -1.99 -2.45 132.00 138.05 1r16 h PRO 171 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1r16 h PRO 171 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1r16 h PRO 171 CO 0.49 0.05 -0.14 -0.40 -0.23 0.00 0.00 178.00 177.77 1r16 n ASP 172 N -3.65 0.24 -4.54 1.44 5.75 -1.26 -3.24 116.55 111.29 1r16 n ASP 172 Ca -0.02 -0.03 -0.29 0.00 -0.01 0.00 0.00 54.79 54.44 1r16 n ASP 172 Cb 0.15 -0.19 0.16 0.00 -1.03 0.00 0.00 41.12 40.21 1r16 n ASP 172 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1r16 s SER 173 N -2.81 2.94 0.35 -1.12 1.04 -0.92 -4.74 113.70 108.43 1r16 s SER 173 Ca 0.19 0.85 0.07 0.00 0.48 0.00 0.00 55.95 57.53 1r16 s SER 173 Cb 0.19 -1.32 0.67 0.00 0.10 0.00 0.00 66.02 65.66 1r16 s SER 173 CO 0.55 -2.90 1.87 -0.26 0.98 0.00 0.00 173.24 173.48 1r16 h PHE 174 N -1.74 0.38 -0.43 5.02 -1.00 -1.91 -0.82 116.94 116.45 1r16 h PHE 174 Ca -0.49 -0.05 -0.04 0.00 2.81 0.00 0.00 57.97 60.19 1r16 h PHE 174 Cb 1.31 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.75 1r16 h PHE 174 CO -0.27 0.47 0.09 0.35 -1.61 0.00 0.00 178.31 177.34 1r16 h PHE 175 N 0.34 0.73 -0.51 -0.55 3.57 -1.89 0.48 116.94 119.11 1r16 h PHE 175 Ca 0.07 -0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.36 1r16 h PHE 175 Cb 0.41 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1r16 h PHE 175 CO 0.01 0.69 -0.12 0.78 -2.23 0.00 0.00 178.31 177.44 1r16 h GLY 176 N 0.56 1.05 0.95 2.40 0.00 -1.56 -0.43 103.07 106.04 1r16 h GLY 176 Ca 0.13 -0.87 -0.32 0.00 0.00 0.00 0.00 47.33 46.28 1r16 h GLY 176 CO 0.00 0.79 -1.74 0.50 0.00 0.00 0.00 176.54 176.10 1r16 h LYS 177 N 0.83 0.16 0.00 4.80 1.57 -1.14 -3.41 116.57 119.38 1r16 h LYS 177 Ca 0.13 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 1r16 h LYS 177 Cb 0.68 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1r16 h LYS 177 CO 0.05 0.92 -1.28 0.66 -0.57 0.00 0.00 179.45 179.24 1r16 n TYR 178 N -3.32 0.00 -0.09 -1.35 4.01 0.12 -4.74 117.16 111.80 1r16 n TYR 178 Ca -0.21 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.41 1r16 n TYR 178 Cb 1.05 -0.19 -0.04 0.00 -0.31 0.00 0.00 39.34 39.84 1r16 n TYR 178 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1r16 n GLU 179 N -2.08 0.51 -0.24 -0.72 1.02 -0.97 -4.03 120.64 114.13 1r16 n GLU 179 Ca -0.06 0.37 0.02 0.00 -0.02 0.00 0.00 57.16 57.46 1r16 n GLU 179 Cb 0.56 -1.57 0.14 0.00 -0.02 0.00 0.00 31.44 30.55 1r16 n GLU 179 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r16 h LEU 180 N -1.00 0.43 -0.89 -4.62 5.85 -1.35 -1.60 115.31 112.14 1r16 h LEU 180 Ca -0.12 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1r16 h LEU 180 Cb 0.93 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1r16 h LEU 180 CO -0.07 0.24 0.00 -2.65 -0.34 0.00 0.00 178.44 175.62 1r16 n PRO 181 N -4.88 0.19 0.00 5.25 -0.02 -1.26 -2.76 135.00 131.51 1r16 n PRO 181 Ca 0.11 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 1r16 n PRO 181 Cb 0.28 -1.90 0.08 0.00 -0.02 0.00 0.00 33.50 31.94 1r16 n PRO 181 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1r16 n ASN 182 N -2.26 2.66 -4.69 2.55 3.02 -0.62 -4.96 115.26 110.96 1r16 n ASN 182 Ca 0.01 -1.83 -0.42 0.00 -0.03 0.00 0.00 54.58 52.31 1r16 n ASN 182 Cb 0.19 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 1r16 n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r16 s LEU 183 N -1.86 4.33 0.82 3.41 1.43 -1.10 -3.81 118.68 121.90 1r16 s LEU 183 Ca 0.24 2.22 -0.05 0.00 -1.03 0.00 0.00 54.13 55.50 1r16 s LEU 183 Cb 0.18 -3.56 0.17 0.00 0.03 0.00 0.00 46.19 43.00 1r16 s LEU 183 CO 0.30 -0.76 1.13 0.42 0.23 0.00 0.00 176.35 177.67 1r16 s THR 184 N 2.40 2.01 -1.19 5.49 -4.23 -1.26 -4.96 115.64 113.90 1r16 s THR 184 Ca 0.66 -0.43 0.15 0.00 -1.18 0.00 0.00 61.69 60.90 1r16 s THR 184 Cb -0.34 -2.59 0.19 0.00 1.34 0.00 0.00 72.50 71.11 1r16 s THR 184 CO 0.28 0.00 1.47 -0.46 -0.54 0.00 0.00 174.62 175.37 1r16 n ASN 185 N -3.19 0.00 0.06 3.99 6.94 -1.26 -1.83 115.26 119.96 1r16 n ASN 185 Ca 0.17 0.30 0.12 0.00 -0.02 0.00 0.00 54.58 55.15 1r16 n ASN 185 Cb 0.60 -0.40 0.48 0.00 -2.36 0.00 0.00 39.78 38.10 1r16 n ASN 185 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1r16 n LYS 186 N -1.40 0.12 -3.11 -3.83 4.76 -1.26 -4.70 118.16 108.73 1r16 n LYS 186 Ca 0.05 0.17 -0.39 0.00 -2.87 0.00 0.00 58.31 55.27 1r16 n LYS 186 Cb 0.15 -1.66 -0.06 0.00 -1.84 0.00 0.00 35.03 31.62 1r16 n LYS 186 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1r16 s VAL 187 N -3.08 4.59 -0.07 -0.18 1.01 -0.76 -1.06 120.40 120.85 1r16 s VAL 187 Ca 0.10 1.48 0.08 0.00 0.00 0.00 0.00 61.98 63.64 1r16 s VAL 187 Cb 0.14 -4.03 -0.12 0.00 0.00 0.00 0.00 36.38 32.37 1r16 s VAL 187 CO 0.50 0.51 0.07 0.35 0.00 0.00 0.00 175.10 176.52 1r16 n THR 188 N 1.89 0.49 -3.63 3.92 -2.24 -0.40 -4.85 114.28 109.47 1r16 n THR 188 Ca -0.07 -0.35 -0.15 0.00 -2.27 0.00 0.00 64.05 61.21 1r16 n THR 188 Cb 0.50 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 1r16 n THR 188 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1r16 s ARG 189 N -2.30 0.83 -0.24 -0.78 3.52 -1.25 -0.79 118.95 117.93 1r16 s ARG 189 Ca -0.04 0.43 -0.03 0.00 -0.13 0.00 0.00 55.73 55.95 1r16 s ARG 189 Cb 0.03 0.39 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1r16 s ARG 189 CO 0.37 -0.20 -0.03 0.08 -0.81 0.00 0.00 175.30 174.71 1r16 s VAL 190 N -0.56 3.23 -0.28 7.11 1.01 -0.70 -1.04 120.40 129.16 1r16 s VAL 190 Ca -0.07 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1r16 s VAL 190 Cb -0.03 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1r16 s VAL 190 CO 0.05 0.27 0.12 -0.54 0.00 0.00 0.00 175.10 175.00 1r16 s LYS 191 N 1.41 3.55 -0.14 2.72 1.02 0.00 -2.40 119.74 125.90 1r16 s LYS 191 Ca 0.03 -0.57 -0.08 0.00 0.02 0.00 0.00 55.97 55.37 1r16 s LYS 191 Cb -0.16 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 1r16 s LYS 191 CO -0.03 -0.29 0.13 0.08 -0.92 0.00 0.00 175.35 174.32 1r16 s VAL 192 N 1.63 5.42 -0.22 3.17 1.01 0.21 -0.55 120.40 131.07 1r16 s VAL 192 Ca 0.06 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1r16 s VAL 192 Cb -0.16 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1r16 s VAL 192 CO 0.06 0.56 -0.16 -0.63 0.00 0.00 0.00 175.10 174.93 1r16 s ILE 193 N -0.57 2.09 -0.36 2.22 1.01 -0.41 -1.63 121.20 123.55 1r16 s ILE 193 Ca 0.13 -1.25 -0.18 0.00 0.00 0.00 0.00 60.65 59.34 1r16 s ILE 193 Cb -0.12 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1r16 s ILE 193 CO 0.02 0.27 0.50 -0.69 0.00 0.00 0.00 174.94 175.05 1r16 s VAL 194 N 1.21 5.02 -0.18 2.92 1.01 0.06 -0.82 120.40 129.62 1r16 s VAL 194 Ca -0.01 0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 1r16 s VAL 194 Cb -0.16 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1r16 s VAL 194 CO -0.09 -0.25 0.80 -0.22 0.00 0.00 0.00 175.10 175.34 1r16 s LEU 195 N 2.37 4.16 -0.41 3.92 0.20 0.45 -1.69 118.68 127.69 1r16 s LEU 195 Ca 0.18 1.10 -0.07 0.00 0.69 0.00 0.00 54.13 56.03 1r16 s LEU 195 Cb -0.16 -3.18 0.08 0.00 -0.43 0.00 0.00 46.19 42.51 1r16 s LEU 195 CO 0.14 -0.40 0.22 -1.00 -0.29 0.00 0.00 176.35 175.02 1r16 s HIS 196 N 2.22 3.39 0.33 5.38 3.76 -1.26 -0.34 115.29 128.77 1r16 s HIS 196 Ca 0.36 -1.78 -0.28 0.00 -0.15 0.00 0.00 55.06 53.22 1r16 s HIS 196 Cb -0.16 -2.95 -0.13 0.00 1.11 0.00 0.00 32.58 30.45 1r16 s HIS 196 CO 0.11 -0.88 1.13 0.54 -0.85 0.00 0.00 174.74 174.79 1r16 n ARG 197 N 4.81 1.69 -2.00 1.40 1.74 -1.26 -4.90 116.66 118.14 1r16 n ARG 197 Ca -0.09 0.59 -0.42 0.00 -0.77 0.00 0.00 57.85 57.17 1r16 n ARG 197 Cb 0.42 -2.08 -0.03 0.00 -1.02 0.00 0.00 32.46 29.76 1r16 n ARG 197 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r16 s LEU 198 N -0.31 4.38 -0.31 0.55 1.43 -1.26 -2.39 118.68 120.76 1r16 s LEU 198 Ca 0.58 2.63 0.00 0.00 -1.03 0.00 0.00 54.13 56.31 1r16 s LEU 198 Cb -0.63 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 41.98 1r16 s LEU 198 CO 0.61 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1r16 n GLY 199 N 2.79 0.58 3.52 -3.19 0.00 -1.26 -5.02 105.19 102.61 1r16 n GLY 199 Ca 0.09 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1r16 n GLY 199 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r16 s GLU 200 N -1.48 1.87 0.27 1.61 2.02 -1.00 -5.10 118.70 116.89 1r16 s GLU 200 Ca 0.00 -1.58 -0.29 0.00 0.02 0.00 0.00 54.97 53.11 1r16 s GLU 200 Cb 0.00 -1.93 -0.10 0.00 0.10 0.00 0.00 34.13 32.20 1r16 s GLU 200 CO 0.00 0.36 1.22 0.21 0.02 0.00 0.00 175.26 177.07 1r16 s LYS 201 N -3.37 4.48 0.03 1.61 2.20 -1.26 -4.89 119.74 118.53 1r16 s LYS 201 Ca 0.29 2.00 -0.30 0.00 -0.36 0.00 0.00 55.97 57.60 1r16 s LYS 201 Cb -0.06 -3.15 -0.05 0.00 -1.51 0.00 0.00 37.83 33.05 1r16 s LYS 201 CO 0.16 -0.05 1.26 0.42 -0.36 0.00 0.00 175.35 176.78 1r16 s ILE 202 N -0.81 3.96 -0.14 5.43 1.01 -1.26 -4.65 121.20 124.74 1r16 s ILE 202 Ca 0.49 1.37 -0.07 0.00 0.00 0.00 0.00 60.65 62.44 1r16 s ILE 202 Cb -0.36 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 1r16 s ILE 202 CO 0.44 0.06 -0.18 -0.38 0.00 0.00 0.00 174.94 174.88 1r16 n ILE 203 N 4.24 0.77 -4.66 2.92 2.08 -0.31 -5.01 119.36 119.40 1r16 n ILE 203 Ca 0.10 -0.20 -0.32 0.00 0.56 0.00 0.00 62.75 62.89 1r16 n ILE 203 Cb 0.45 -1.67 -0.12 0.00 -0.75 0.00 0.00 39.64 37.56 1r16 n ILE 203 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1r16 s GLU 204 N -2.26 2.39 0.05 0.38 0.41 -0.28 -5.02 118.70 114.37 1r16 s GLU 204 Ca -0.20 -0.79 0.03 0.00 -0.41 0.00 0.00 54.97 53.59 1r16 s GLU 204 Cb 0.07 -2.36 -0.03 0.00 -1.78 0.00 0.00 34.13 30.03 1r16 s GLU 204 CO 0.25 0.59 -0.08 -1.59 -0.49 0.00 0.00 175.26 173.94 1r16 s LYS 205 N -1.20 0.58 0.68 1.61 -2.85 -1.26 -4.83 119.74 112.47 1r16 s LYS 205 Ca 0.14 -0.81 -0.17 0.00 -1.00 0.00 0.00 55.97 54.13 1r16 s LYS 205 Cb -0.11 -0.35 0.00 0.00 -2.06 0.00 0.00 37.83 35.32 1r16 s LYS 205 CO 0.05 0.06 1.19 0.00 0.10 0.00 0.00 175.35 176.75 1r16 n GLY 207 N 0.93 0.69 3.13 0.00 0.00 -1.26 -4.99 105.19 103.68 1r16 n GLY 207 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1r16 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r16 s ALA 208 N -2.99 0.68 0.00 4.61 0.00 -1.08 -4.65 121.76 118.34 1r16 s ALA 208 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1r16 s ALA 208 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.71 1r16 s ALA 208 CO 0.00 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1r16 n GLY 209 N -0.00 2.96 0.26 0.00 0.00 -1.26 -2.17 105.19 104.97 1r16 n GLY 209 Ca -0.09 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.86 1r16 n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r16 h SER 210 N 3.33 0.00 0.36 1.61 4.64 -1.94 -2.22 113.55 119.33 1r16 h SER 210 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1r16 h SER 210 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1r16 h SER 210 CO 0.00 0.13 -0.57 -0.07 -0.87 0.00 0.00 176.83 175.45 1r16 h LEU 211 N 0.00 0.25 -0.54 5.97 3.38 -1.74 -0.93 115.31 121.69 1r16 h LEU 211 Ca -0.00 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1r16 h LEU 211 Cb 0.45 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1r16 h LEU 211 CO 0.02 0.77 -0.34 0.25 0.09 0.00 0.00 178.44 179.22 1r16 h LEU 212 N 0.17 0.84 -0.65 1.67 5.85 -1.28 -1.26 115.31 120.66 1r16 h LEU 212 Ca -0.00 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1r16 h LEU 212 Cb 1.06 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1r16 h LEU 212 CO 0.09 1.11 0.27 0.44 -0.34 0.00 0.00 178.44 180.01 1r16 h ASP 213 N 0.67 0.89 -0.26 1.25 3.32 -1.24 -2.06 116.42 118.99 1r16 h ASP 213 Ca 0.07 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1r16 h ASP 213 Cb 0.89 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1r16 h ASP 213 CO 0.08 0.81 0.16 0.25 -1.72 0.00 0.00 179.24 178.82 1r16 h LEU 214 N 0.91 0.27 -0.49 1.55 5.85 -0.91 -2.43 115.31 120.06 1r16 h LEU 214 Ca 0.22 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.02 1r16 h LEU 214 Cb 0.18 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1r16 h LEU 214 CO -0.02 0.20 0.08 -0.08 -0.34 0.00 0.00 178.44 178.27 1r16 h GLU 215 N 0.33 0.20 -0.13 1.25 4.81 -0.93 -0.40 114.58 119.71 1r16 h GLU 215 Ca 0.10 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1r16 h GLU 215 Cb -0.02 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1r16 h GLU 215 CO -0.03 0.13 -0.00 0.87 -0.73 0.00 0.00 179.01 179.24 1r16 h LYS 216 N 0.20 0.04 -0.80 1.92 1.57 -1.18 -1.53 116.57 116.79 1r16 h LYS 216 Ca 0.25 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1r16 h LYS 216 Cb 0.34 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1r16 h LYS 216 CO -0.34 0.03 0.52 1.25 -0.57 0.00 0.00 179.45 180.33 1r16 h LEU 217 N 0.04 0.93 -0.28 2.94 5.85 -0.97 0.93 115.31 124.74 1r16 h LEU 217 Ca 0.06 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1r16 h LEU 217 Cb 0.08 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1r16 h LEU 217 CO -0.11 0.68 -0.11 0.58 -0.34 0.00 0.00 178.44 179.14 1r16 h VAL 218 N 1.09 1.29 -0.62 1.05 2.07 -0.94 -2.76 116.25 117.43 1r16 h VAL 218 Ca 0.29 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 1r16 h VAL 218 Cb -0.11 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1r16 h VAL 218 CO -0.06 0.37 0.14 0.11 0.02 0.00 0.00 177.57 178.16 1r16 h LYS 219 N 0.32 1.00 -0.06 1.57 1.57 -0.97 -1.77 116.57 118.23 1r16 h LYS 219 Ca 0.07 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1r16 h LYS 219 Cb 0.61 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1r16 h LYS 219 CO 0.04 0.91 0.18 0.00 -0.57 0.00 0.00 179.45 180.01 1r16 h ALA 220 N 1.04 1.38 -0.64 3.86 0.00 -0.72 0.47 119.26 124.65 1r16 h ALA 220 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1r16 h ALA 220 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1r16 h ALA 220 CO 0.00 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.67 1r16 n LYS 221 N -3.25 3.72 -3.38 0.00 5.02 -0.70 -4.95 118.16 114.62 1r16 n LYS 221 Ca -0.01 -2.81 -0.23 0.00 -2.02 0.00 0.00 58.31 53.24 1r16 n LYS 221 Cb 0.26 -1.90 0.06 0.00 -0.02 0.00 0.00 35.03 33.43 1r16 n LYS 221 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1r16 n HIS 222 N 1.10 -2.51 -4.26 2.13 8.25 0.17 -5.01 115.22 115.08 1r16 n HIS 222 Ca 0.25 0.83 -0.31 0.00 -0.26 0.00 0.00 57.72 58.24 1r16 n HIS 222 Cb 0.89 -4.74 -0.09 0.00 1.12 0.00 0.00 29.99 27.17 1r16 n HIS 222 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1r16 s PHE 223 N -3.26 2.87 0.89 4.41 0.08 -0.99 -4.98 117.98 117.00 1r16 s PHE 223 Ca 0.48 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 57.34 1r16 s PHE 223 Cb -0.21 -1.52 0.12 0.00 -0.57 0.00 0.00 43.02 40.84 1r16 s PHE 223 CO 0.60 0.43 1.10 0.00 -0.10 0.00 0.00 175.22 177.24 1r16 s ALA 224 N -1.19 1.65 -0.09 5.36 0.00 0.03 -4.18 121.76 123.35 1r16 s ALA 224 Ca 0.22 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.95 1r16 s ALA 224 Cb -0.11 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1r16 s ALA 224 CO 0.14 -2.26 0.23 0.12 0.00 0.00 0.00 175.76 173.98 1r16 s PHE 225 N -3.01 -0.25 0.16 0.00 5.36 -1.26 -1.73 117.98 117.25 1r16 s PHE 225 Ca 0.63 0.61 -0.14 0.00 -0.96 0.00 0.00 56.93 57.07 1r16 s PHE 225 Cb -0.17 0.08 0.02 0.00 -0.34 0.00 0.00 43.02 42.61 1r16 s PHE 225 CO 0.56 -0.12 0.39 0.16 -1.46 0.00 0.00 175.22 174.75 1r16 s ASP 226 N 0.14 -0.13 -0.19 6.13 1.47 -1.01 -4.99 116.67 118.10 1r16 s ASP 226 Ca -0.00 -0.56 -0.14 0.00 1.18 0.00 0.00 52.55 53.03 1r16 s ASP 226 Cb -0.02 0.49 0.05 0.00 -0.34 0.00 0.00 42.92 43.10 1r16 s ASP 226 CO 0.00 -0.92 0.47 0.00 0.68 0.00 0.00 175.17 175.40 1r16 s VAL 228 N 0.85 1.01 -0.17 0.00 -7.23 -0.65 -4.98 120.40 109.23 1r16 s VAL 228 Ca -0.05 -1.36 -0.03 0.00 -1.81 0.00 0.00 61.98 58.73 1r16 s VAL 228 Cb -0.06 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 1r16 s VAL 228 CO -0.07 -0.32 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.72 1r16 s GLU 229 N -1.97 3.48 -0.78 4.82 2.02 -1.26 -0.76 118.70 124.25 1r16 s GLU 229 Ca -0.01 -0.61 -0.14 0.00 0.02 0.00 0.00 54.97 54.23 1r16 s GLU 229 Cb -0.08 -2.87 0.02 0.00 0.10 0.00 0.00 34.13 31.29 1r16 s GLU 229 CO 0.02 0.07 0.48 0.09 0.02 0.00 0.00 175.26 175.94 1r16 n ASN 230 N 4.01 -3.32 -4.73 -0.19 4.13 -0.68 -4.89 115.26 109.59 1r16 n ASN 230 Ca -0.18 -0.87 -0.35 0.00 1.68 0.00 0.00 54.58 54.86 1r16 n ASN 230 Cb 0.52 -1.19 0.07 0.00 -1.54 0.00 0.00 39.78 37.64 1r16 n ASN 230 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1r16 s PRO 231 N -5.63 2.41 0.30 3.52 0.04 -1.26 -4.54 135.00 129.84 1r16 s PRO 231 Ca 0.20 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.08 1r16 s PRO 231 Cb -0.11 -1.86 0.76 0.00 0.04 0.00 0.00 34.50 33.33 1r16 s PRO 231 CO 0.71 -1.64 1.68 0.00 0.04 0.00 0.00 177.00 177.78 1r16 h ARG 232 N 0.09 0.33 -0.47 4.56 3.08 -1.99 0.72 114.38 120.70 1r16 h ARG 232 Ca -0.49 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.45 1r16 h ARG 232 Cb 1.30 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 1r16 h ARG 232 CO 0.52 0.22 -0.08 0.00 -1.07 0.00 0.00 179.97 179.55 1r16 h ALA 233 N 1.74 0.97 -0.20 0.04 0.00 -1.99 0.30 119.26 120.12 1r16 h ALA 233 Ca 0.58 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1r16 h ALA 233 Cb 1.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1r16 h ALA 233 CO -0.57 0.61 -0.42 0.28 0.00 0.00 0.00 179.25 179.15 1r16 h VAL 234 N 0.76 1.33 -0.61 0.00 2.07 -1.45 -2.62 116.25 115.74 1r16 h VAL 234 Ca 0.13 -1.66 0.04 0.00 0.82 0.00 0.00 66.70 66.04 1r16 h VAL 234 Cb 0.58 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1r16 h VAL 234 CO 0.04 0.51 0.34 0.25 0.02 0.00 0.00 177.57 178.74 1r16 h LEU 235 N 0.32 0.53 -1.29 2.57 5.85 -0.54 -1.75 115.31 120.99 1r16 h LEU 235 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1r16 h LEU 235 Cb 1.03 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1r16 h LEU 235 CO 0.09 0.36 0.36 -0.26 -0.34 0.00 0.00 178.44 178.65 1r16 h PHE 236 N 0.66 0.82 -0.54 1.25 0.04 -0.92 0.19 116.94 118.44 1r16 h PHE 236 Ca 0.26 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.96 1r16 h PHE 236 Cb 0.11 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 1r16 h PHE 236 CO -0.08 0.56 0.08 1.25 -0.60 0.00 0.00 178.31 179.52 1r16 h LEU 237 N 0.86 0.87 -0.53 1.54 5.85 -0.99 -1.91 115.31 120.99 1r16 h LEU 237 Ca 0.22 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1r16 h LEU 237 Cb -0.01 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1r16 h LEU 237 CO -0.04 0.91 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.83 1r16 h LEU 238 N 0.78 0.98 -1.86 2.25 3.38 -0.45 -2.88 115.31 117.51 1r16 h LEU 238 Ca 0.16 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1r16 h LEU 238 Cb 0.42 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1r16 h LEU 238 CO 0.01 1.09 -0.11 0.00 0.09 0.00 0.00 178.44 179.52 1r16 h SER 240 N 0.00 0.00 0.36 0.00 4.64 -1.12 -0.54 113.55 116.89 1r16 h SER 240 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r16 h SER 240 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1r16 h SER 240 CO 0.01 0.06 -0.63 0.47 -0.87 0.00 0.00 176.83 175.87 1r16 n ASP 241 N -3.38 0.65 -2.89 4.97 9.92 -0.61 -4.54 116.55 120.67 1r16 n ASP 241 Ca -0.02 -0.47 -0.13 0.00 -0.53 0.00 0.00 54.79 53.64 1r16 n ASP 241 Cb 0.21 0.46 0.01 0.00 -0.64 0.00 0.00 41.12 41.16 1r16 n ASP 241 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1r16 n ASN 242 N -1.48 -1.92 0.17 -2.24 2.85 -0.63 -5.01 115.26 107.00 1r16 n ASN 242 Ca 0.05 -3.10 0.12 0.00 -0.11 0.00 0.00 54.58 51.54 1r16 n ASN 242 Cb 0.33 1.04 0.61 0.00 1.24 0.00 0.00 39.78 43.00 1r16 n ASN 242 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1r16 h PRO 243 N 4.02 0.00 -0.36 1.20 0.13 -1.37 -2.83 132.00 132.78 1r16 h PRO 243 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1r16 h PRO 243 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1r16 h PRO 243 CO 0.37 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.23 1r16 n ASN 244 N -2.35 3.29 -4.75 1.44 3.02 -1.26 -4.83 115.26 109.82 1r16 n ASN 244 Ca -0.00 -1.94 -0.38 0.00 -0.03 0.00 0.00 54.58 52.22 1r16 n ASN 244 Cb 0.11 -0.23 0.03 0.00 -0.61 0.00 0.00 39.78 39.07 1r16 n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r16 s ALA 245 N -1.35 2.87 0.49 5.41 0.00 -1.07 -4.90 121.76 123.21 1r16 s ALA 245 Ca 0.35 1.25 0.15 0.00 0.00 0.00 0.00 51.96 53.71 1r16 s ALA 245 Cb 0.20 -3.53 1.18 0.00 0.00 0.00 0.00 23.12 20.98 1r16 s ALA 245 CO 0.28 -1.20 2.10 -0.09 0.00 0.00 0.00 175.76 176.85 1r16 h ARG 246 N 1.62 0.01 0.00 0.00 2.43 -1.92 -1.42 114.38 115.10 1r16 h ARG 246 Ca -0.51 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1r16 h ARG 246 Cb 1.29 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1r16 h ARG 246 CO 0.58 0.06 0.00 0.39 -1.51 0.00 0.00 179.97 179.49 1r16 n GLU 247 N -4.47 0.08 -0.59 0.20 4.71 -1.26 -3.35 120.64 115.97 1r16 n GLU 247 Ca -0.03 0.28 0.09 0.00 -0.01 0.00 0.00 57.16 57.49 1r16 n GLU 247 Cb 0.14 -1.65 0.35 0.00 -1.01 0.00 0.00 31.44 29.27 1r16 n GLU 247 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1r16 s ARG 249 N -1.82 4.30 0.34 0.00 0.52 -1.21 -4.97 118.95 116.11 1r16 s ARG 249 Ca 0.50 2.09 0.01 0.00 -0.52 0.00 0.00 55.73 57.81 1r16 s ARG 249 Cb 0.32 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 1r16 s ARG 249 CO 0.24 -0.50 0.54 -0.51 0.02 0.00 0.00 175.30 175.10 1r16 s LEU 250 N 1.50 4.02 0.00 2.53 1.02 -1.26 -5.16 118.68 121.33 1r16 s LEU 250 Ca 0.65 0.44 0.00 0.00 0.02 0.00 0.00 54.13 55.25 1r16 s LEU 250 Cb -0.36 -3.30 0.00 0.00 0.02 0.00 0.00 46.19 42.55 1r16 s LEU 250 CO 0.30 -0.29 0.26 0.00 0.02 0.00 0.00 176.35 176.64