#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 5.15 0.45 9.51 0.11 -1.26 -1.37 120.40 132.99 1r16 s VAL 2 Ca 0.00 0.74 -0.22 0.00 -2.93 0.00 0.00 61.98 59.56 1r16 s VAL 2 Cb 0.00 -3.76 -0.08 0.00 -1.53 0.00 0.00 36.38 31.01 1r16 s VAL 2 CO 0.00 0.18 1.09 -2.84 -3.33 0.00 0.00 175.10 170.20 1r16 s PRO 3 N 1.77 3.88 0.34 1.54 0.02 -1.26 -4.77 135.00 136.51 1r16 s PRO 3 Ca 0.19 1.58 -0.29 0.00 0.02 0.00 0.00 61.00 62.50 1r16 s PRO 3 Cb -0.15 -2.36 -0.11 0.00 0.02 0.00 0.00 34.50 31.90 1r16 s PRO 3 CO 0.09 -0.40 1.54 0.99 -0.33 0.00 0.00 177.00 178.88 1r16 s THR 4 N -1.70 2.07 0.48 0.99 2.01 -0.52 -4.97 115.64 114.00 1r16 s THR 4 Ca 0.63 0.06 -0.19 0.00 0.31 0.00 0.00 61.69 62.50 1r16 s THR 4 Cb -0.23 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 1r16 s THR 4 CO 0.28 0.01 0.98 -0.13 -0.69 0.00 0.00 174.62 175.07 1r16 s ARG 5 N -1.34 4.02 -1.48 4.92 0.52 -1.26 -3.95 118.95 120.39 1r16 s ARG 5 Ca 0.58 1.08 -0.05 0.00 -0.52 0.00 0.00 55.73 56.82 1r16 s ARG 5 Cb -0.47 -2.15 0.04 0.00 0.52 0.00 0.00 34.95 32.89 1r16 s ARG 5 CO 0.56 -0.21 0.52 0.39 0.02 0.00 0.00 175.30 176.58 1r16 n GLU 6 N -1.14 -3.35 -0.21 3.54 1.02 -1.26 -4.79 120.64 114.44 1r16 n GLU 6 Ca 0.07 0.40 0.01 0.00 -0.02 0.00 0.00 57.16 57.62 1r16 n GLU 6 Cb 0.54 -4.69 0.10 0.00 -0.02 0.00 0.00 31.44 27.37 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 -1.78 -0.38 -0.51 -4.62 5.85 -1.98 -1.17 115.31 110.73 1r16 h LEU 7 Ca -0.62 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1r16 h LEU 7 Cb 1.38 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 1r16 h LEU 7 CO 0.66 -0.15 0.23 -0.08 -0.34 0.00 0.00 178.44 178.76 1r16 h GLU 8 N 0.08 0.74 -0.75 1.25 4.81 -1.95 0.11 114.58 118.87 1r16 h GLU 8 Ca 0.33 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1r16 h GLU 8 Cb 0.53 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1r16 h GLU 8 CO -0.58 0.63 0.49 -0.91 -0.73 0.00 0.00 179.01 177.91 1r16 h ASN 9 N 0.68 0.84 -0.22 1.04 2.35 -1.71 -1.20 115.58 117.36 1r16 h ASN 9 Ca 0.17 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.84 1r16 h ASN 9 Cb 0.14 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1r16 h ASN 9 CO -0.02 0.60 -0.14 0.58 -1.65 0.00 0.00 177.43 176.80 1r16 h VAL 10 N 0.99 1.31 0.04 2.81 2.07 -1.05 -0.67 116.25 121.75 1r16 h VAL 10 Ca 0.28 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1r16 h VAL 10 Cb -0.07 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1r16 h VAL 10 CO -0.08 0.38 -0.17 0.15 0.02 0.00 0.00 177.57 177.87 1r16 h PHE 11 N 0.18 -0.44 -0.57 1.57 3.04 -0.81 -0.87 116.94 119.05 1r16 h PHE 11 Ca 0.04 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.92 1r16 h PHE 11 Cb 0.65 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.33 1r16 h PHE 11 CO 0.07 -0.25 0.02 -0.07 -2.02 0.00 0.00 178.31 176.06 1r16 h LEU 12 N -0.30 0.93 -0.17 0.59 3.38 -1.22 -0.59 115.31 117.94 1r16 h LEU 12 Ca 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1r16 h LEU 12 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1r16 h LEU 12 CO -0.14 0.97 0.07 1.23 0.09 0.00 0.00 178.44 180.67 1r16 h GLY 13 N 1.00 0.27 1.39 0.83 0.00 -0.92 -1.72 103.07 103.92 1r16 h GLY 13 Ca 0.17 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1r16 h GLY 13 CO 0.02 0.14 -0.06 3.21 0.00 0.00 0.00 176.54 179.85 1r16 h ARG 14 N 0.13 0.73 -0.37 4.80 3.08 -1.06 -1.40 114.38 120.28 1r16 h ARG 14 Ca 0.06 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1r16 h ARG 14 Cb 0.16 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1r16 h ARG 14 CO -0.01 0.78 0.19 0.00 -1.07 0.00 0.00 179.97 179.87 1r16 h LYS 16 N 0.47 0.69 -0.35 0.00 1.63 -1.21 -0.27 116.57 117.53 1r16 h LYS 16 Ca 0.13 -0.32 0.04 0.00 -0.85 0.00 0.00 60.65 59.66 1r16 h LYS 16 Cb 0.08 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 1r16 h LYS 16 CO -0.02 0.92 0.12 0.22 -3.45 0.00 0.00 179.45 177.23 1r16 h ASP 17 N 0.45 0.12 0.23 4.20 3.58 -1.11 -2.55 116.42 121.35 1r16 h ASP 17 Ca 0.07 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1r16 h ASP 17 Cb 0.73 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1r16 h ASP 17 CO 0.05 0.10 -0.11 0.22 -2.88 0.00 0.00 179.24 176.63 1r16 h TYR 18 N 0.26 -0.29 -0.56 0.28 5.03 -0.76 -0.93 116.97 120.00 1r16 h TYR 18 Ca 0.16 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.57 1r16 h TYR 18 Cb 0.14 0.10 -0.11 0.00 1.55 0.00 0.00 36.73 38.40 1r16 h TYR 18 CO -0.15 -0.09 -0.27 1.49 -1.32 0.00 0.00 178.16 177.82 1r16 h GLU 19 N -0.43 -0.13 0.00 1.82 4.81 -0.91 -2.32 114.58 117.41 1r16 h GLU 19 Ca -0.03 0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 1r16 h GLU 19 Cb 0.33 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1r16 h GLU 19 CO 0.05 -0.08 -1.19 0.82 -0.73 0.00 0.00 179.01 177.88 1r16 h ILE 20 N -0.13 1.10 0.00 2.32 1.08 -1.43 -3.43 117.51 117.02 1r16 h ILE 20 Ca 0.24 -2.75 0.00 0.00 -0.39 0.00 0.00 64.86 61.97 1r16 h ILE 20 Cb 0.52 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.78 1r16 h ILE 20 CO -0.64 0.63 -0.21 0.35 -0.69 0.00 0.00 178.15 177.58 1r16 n THR 21 N -3.16 0.00 -4.16 -0.27 -2.24 -0.36 -5.03 114.28 99.06 1r16 n THR 21 Ca -0.06 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.13 1r16 n THR 21 Cb 0.92 0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.89 3.19 -1.15 -0.78 1.81 -0.89 -4.59 118.95 115.65 1r16 s ARG 22 Ca 0.00 -0.29 -0.03 0.00 -1.72 0.00 0.00 55.73 53.69 1r16 s ARG 22 Cb 0.00 -2.96 0.02 0.00 -0.45 0.00 0.00 34.95 31.56 1r16 s ARG 22 CO 0.00 0.73 0.18 0.66 -0.68 0.00 0.00 175.30 176.19 1r16 n TYR 23 N 2.10 -1.56 0.03 -0.53 4.02 -1.26 -4.84 117.16 115.11 1r16 n TYR 23 Ca -0.19 0.17 0.09 0.00 -0.01 0.00 0.00 57.90 57.96 1r16 n TYR 23 Cb 0.54 -2.94 0.52 0.00 -0.02 0.00 0.00 39.34 37.45 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 -0.38 0.29 -1.93 7.72 3.38 -1.81 -1.69 115.31 120.89 1r16 h LEU 24 Ca -0.35 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1r16 h LEU 24 Cb 1.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1r16 h LEU 24 CO 0.41 0.19 0.00 0.47 0.09 0.00 0.00 178.44 179.61 1r16 n ASP 25 N -4.48 2.94 -0.01 -0.43 8.00 -1.26 -4.56 116.55 116.75 1r16 n ASP 25 Ca 0.05 -1.93 -0.01 0.00 0.71 0.00 0.00 54.79 53.61 1r16 n ASP 25 Cb 0.22 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 1r16 n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r16 n ILE 26 N 1.22 0.07 -4.80 0.53 0.13 -0.98 -5.07 119.36 110.47 1r16 n ILE 26 Ca 0.17 -0.03 -0.29 0.00 -1.10 0.00 0.00 62.75 61.50 1r16 n ILE 26 Cb 0.56 -0.75 -0.14 0.00 -0.84 0.00 0.00 39.64 38.47 1r16 n ILE 26 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1r16 s LEU 27 N -4.61 2.18 0.67 9.51 1.43 -0.67 -4.64 118.68 122.55 1r16 s LEU 27 Ca -0.01 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 1r16 s LEU 27 Cb 0.00 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 45.02 1r16 s LEU 27 CO 0.03 0.23 1.05 -2.16 0.23 0.00 0.00 176.35 175.73 1r16 s PRO 28 N -1.28 3.15 0.61 1.29 0.04 -1.26 -4.60 135.00 132.95 1r16 s PRO 28 Ca 0.11 0.90 -0.10 0.00 0.04 0.00 0.00 61.00 61.95 1r16 s PRO 28 Cb -0.10 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1r16 s PRO 28 CO 0.02 -0.93 0.99 1.03 0.04 0.00 0.00 177.00 178.15 1r16 s ARG 29 N -5.05 3.42 0.33 4.56 1.81 -1.26 -4.91 118.95 117.84 1r16 s ARG 29 Ca 0.57 0.55 0.01 0.00 -1.72 0.00 0.00 55.73 55.15 1r16 s ARG 29 Cb -0.13 -2.14 -0.03 0.00 -0.45 0.00 0.00 34.95 32.20 1r16 s ARG 29 CO 0.54 -0.59 0.51 0.08 -0.68 0.00 0.00 175.30 175.16 1r16 s VAL 30 N -3.12 5.12 -0.37 3.52 1.01 -1.26 -5.01 120.40 120.29 1r16 s VAL 30 Ca 0.54 -0.57 0.23 0.00 0.00 0.00 0.00 61.98 62.18 1r16 s VAL 30 Cb -0.11 -3.86 0.17 0.00 0.00 0.00 0.00 36.38 32.58 1r16 s VAL 30 CO 0.51 -0.51 1.35 0.08 0.00 0.00 0.00 175.10 176.53 1r16 h ARG 31 N 0.83 0.00 -7.02 2.72 0.11 -1.94 -3.46 114.38 105.62 1r16 h ARG 31 Ca -0.50 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.09 1r16 h ARG 31 Cb 1.22 0.00 0.04 0.00 1.11 0.00 0.00 29.97 32.34 1r16 h ARG 31 CO 0.61 0.00 0.42 -1.12 0.10 0.00 0.00 179.97 179.98 1r16 s SER 32 N -5.64 6.37 0.70 0.08 0.01 -1.26 -5.05 113.70 108.91 1r16 s SER 32 Ca 0.04 2.09 -0.09 0.00 1.31 0.00 0.00 55.95 59.30 1r16 s SER 32 Cb 0.08 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.77 1r16 s SER 32 CO 0.72 -0.77 1.04 1.51 0.41 0.00 0.00 173.24 176.16 1r16 s ASP 33 N -1.66 5.04 0.33 2.44 1.47 -1.26 -4.89 116.67 118.14 1r16 s ASP 33 Ca 0.64 0.71 0.01 0.00 1.18 0.00 0.00 52.55 55.09 1r16 s ASP 33 Cb -0.22 -1.43 0.57 0.00 -0.34 0.00 0.00 42.92 41.50 1r16 s ASP 33 CO 0.27 -1.50 2.00 0.00 0.68 0.00 0.00 175.17 176.62 1r16 h SER 35 N 0.94 0.23 -0.27 0.00 4.64 -1.98 -0.68 113.55 116.43 1r16 h SER 35 Ca 0.25 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.32 1r16 h SER 35 Cb -0.11 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1r16 h SER 35 CO -0.05 0.65 -0.42 0.00 -0.87 0.00 0.00 176.83 176.13 1r16 h ALA 36 N 1.37 0.41 -0.75 5.18 0.00 -1.86 -1.69 119.26 121.92 1r16 h ALA 36 Ca 0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1r16 h ALA 36 Cb 0.86 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1r16 h ALA 36 CO 0.07 0.53 0.26 -0.07 0.00 0.00 0.00 179.25 180.03 1r16 h LEU 37 N 0.50 1.07 -0.31 0.00 3.38 -1.25 -2.35 115.31 116.35 1r16 h LEU 37 Ca 0.02 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1r16 h LEU 37 Cb 1.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1r16 h LEU 37 CO 0.10 0.98 0.20 -0.25 0.09 0.00 0.00 178.44 179.55 1r16 h TRP 38 N 1.11 0.40 -0.79 1.13 2.91 -0.96 -1.15 115.95 118.60 1r16 h TRP 38 Ca 0.25 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.37 1r16 h TRP 38 Cb 0.28 -0.13 -0.07 0.00 -0.51 0.00 0.00 29.16 28.72 1r16 h TRP 38 CO 0.02 0.27 0.43 -0.22 -1.03 0.00 0.00 178.44 177.91 1r16 h LYS 39 N 0.41 0.70 -0.30 2.65 3.64 -1.07 0.93 116.57 123.52 1r16 h LYS 39 Ca 0.11 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1r16 h LYS 39 Cb -0.02 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1r16 h LYS 39 CO -0.02 0.46 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.08 1r16 h ASP 40 N 0.72 0.61 0.10 4.20 3.32 -1.10 -1.84 116.42 122.42 1r16 h ASP 40 Ca 0.39 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r16 h ASP 40 Cb 0.39 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1r16 h ASP 40 CO -0.26 0.85 -0.05 0.15 -1.72 0.00 0.00 179.24 178.21 1r16 h PHE 41 N 0.36 -0.12 -0.31 4.55 3.57 -0.91 -3.03 116.94 121.04 1r16 h PHE 41 Ca 0.07 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1r16 h PHE 41 Cb 0.60 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1r16 h PHE 41 CO 0.05 -0.06 0.18 0.35 -2.23 0.00 0.00 178.31 176.61 1r16 h PHE 42 N -0.15 0.42 0.00 0.41 3.57 -0.76 -2.28 116.94 118.14 1r16 h PHE 42 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1r16 h PHE 42 Cb 0.12 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1r16 h PHE 42 CO -0.07 0.33 -0.03 1.57 -2.23 0.00 0.00 178.31 177.88 1r16 h LYS 43 N 0.40 0.00 -0.99 1.11 2.10 -1.35 -1.05 116.57 116.78 1r16 h LYS 43 Ca 0.11 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.78 1r16 h LYS 43 Cb 0.03 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.31 1r16 h LYS 43 CO -0.02 0.03 0.66 0.00 -2.00 0.00 0.00 179.45 178.11 1r16 h ALA 44 N 1.97 1.32 0.00 0.07 0.00 -1.28 -3.34 119.26 118.00 1r16 h ALA 44 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1r16 h ALA 44 Cb 0.19 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1r16 h ALA 44 CO 0.00 0.61 -0.30 1.97 0.00 0.00 0.00 179.25 181.54 1r16 n PHE 45 N -4.41 0.00 -2.33 0.00 -1.74 -1.06 -4.79 117.46 103.13 1r16 n PHE 45 Ca 0.13 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.65 1r16 n PHE 45 Cb 0.05 -0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.03 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 -1.33 6.24 -1.57 5.98 1.04 -0.42 -3.85 113.70 119.78 1r16 s SER 46 Ca 0.00 2.21 -0.00 0.00 0.48 0.00 0.00 55.95 58.63 1r16 s SER 46 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1r16 s SER 46 CO 0.03 -0.86 0.06 0.49 0.98 0.00 0.00 173.24 173.93 1r16 n PHE 47 N -0.55 -0.98 -4.12 5.02 3.72 -0.18 -4.95 117.46 115.42 1r16 n PHE 47 Ca 0.08 0.05 -0.09 0.00 -0.05 0.00 0.00 57.45 57.44 1r16 n PHE 47 Cb 0.49 -3.71 -0.10 0.00 -0.94 0.00 0.00 39.48 35.22 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 -5.00 0.69 0.52 -1.08 1.02 -1.17 -4.55 119.74 110.17 1r16 s LYS 48 Ca 0.03 -1.21 -0.22 0.00 0.02 0.00 0.00 55.97 54.58 1r16 s LYS 48 Cb -0.01 -0.02 -0.06 0.00 -0.52 0.00 0.00 37.83 37.22 1r16 s LYS 48 CO 0.04 -0.05 1.37 -0.80 -0.92 0.00 0.00 175.35 174.98 1r16 s ASN 49 N -2.81 5.41 0.59 2.83 0.02 -1.26 -1.24 114.94 118.47 1r16 s ASN 49 Ca 0.07 2.79 0.26 0.00 -1.02 0.00 0.00 52.86 54.96 1r16 s ASN 49 Cb 0.05 -2.64 1.42 0.00 0.02 0.00 0.00 41.25 40.10 1r16 s ASN 49 CO -0.06 -1.48 1.78 1.55 0.02 0.00 0.00 177.10 178.91 1r16 h PRO 50 N 1.65 0.00 -0.41 -0.60 0.13 -1.91 -1.75 132.00 129.12 1r16 h PRO 50 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1r16 h PRO 50 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1r16 h PRO 50 CO 0.58 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 1r16 n ASP 52 N 0.82 5.55 -4.04 0.00 2.03 -0.66 -4.76 116.55 115.49 1r16 n ASP 52 Ca 0.14 -3.18 -0.07 0.00 0.52 0.00 0.00 54.79 52.19 1r16 n ASP 52 Cb 0.47 -1.42 -0.09 0.00 -0.72 0.00 0.00 41.12 39.35 1r16 n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1r16 s LEU 53 N -0.84 2.25 0.00 -2.67 1.43 -1.26 -4.89 118.68 112.70 1r16 s LEU 53 Ca 0.37 -0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1r16 s LEU 53 Cb 0.05 0.39 0.02 0.00 0.03 0.00 0.00 46.19 46.68 1r16 s LEU 53 CO 0.03 -0.62 0.54 -0.90 0.23 0.00 0.00 176.35 175.63 1r16 n ASP 54 N 0.10 -1.53 0.30 2.29 5.68 -1.25 -3.76 116.55 118.39 1r16 n ASP 54 Ca -0.14 -2.75 0.19 0.00 -0.50 0.00 0.00 54.79 51.58 1r16 n ASP 54 Cb 0.61 2.74 0.98 0.00 -1.14 0.00 0.00 41.12 44.32 1r16 n ASP 54 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1r16 h LEU 55 N 0.00 0.00 -0.65 -2.12 5.85 -1.86 -1.41 115.31 115.13 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 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1r16 h LEU 55 CO 0.37 0.00 -0.27 0.61 -0.34 0.00 0.00 178.44 178.81 1r16 n GLY 56 N -1.22 -0.42 0.17 3.75 0.00 -1.26 -4.49 105.19 101.72 1r16 n GLY 56 Ca -0.01 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 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 1.58 0.28 -0.45 1.61 0.02 -1.60 -2.34 113.55 112.66 1r16 h SER 57 Ca 0.00 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1r16 h SER 57 Cb 0.56 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1r16 h SER 57 CO 0.00 0.21 0.06 -1.22 -1.14 0.00 0.00 176.83 174.74 1r16 n TYR 58 N -4.93 1.58 -0.15 3.45 4.01 -1.26 -4.53 117.16 115.34 1r16 n TYR 58 Ca 0.02 -0.64 -0.04 0.00 -0.16 0.00 0.00 57.90 57.08 1r16 n TYR 58 Cb 0.11 -0.44 0.03 0.00 -0.31 0.00 0.00 39.34 38.72 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 2.55 0.00 -0.49 -0.72 3.64 -1.67 -2.10 116.57 117.78 1r16 h LYS 59 Ca 0.06 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1r16 h LYS 59 Cb 1.66 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.46 1r16 h LYS 59 CO 0.41 0.00 0.02 -0.44 -2.27 0.00 0.00 179.45 177.18 1r16 h ASP 60 N 0.00 0.76 0.23 4.20 3.32 -1.85 -2.39 116.42 120.69 1r16 h ASP 60 Ca 0.23 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1r16 h ASP 60 Cb 0.34 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1r16 h ASP 60 CO -0.48 0.81 -0.11 0.15 -1.72 0.00 0.00 179.24 177.89 1r16 h PHE 61 N 0.75 -0.28 -0.03 4.55 3.57 -1.72 -1.87 116.94 121.90 1r16 h PHE 61 Ca 0.15 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1r16 h PHE 61 Cb 0.42 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1r16 h PHE 61 CO 0.02 -0.12 -0.29 0.74 -2.23 0.00 0.00 178.31 176.43 1r16 h PHE 62 N -0.38 0.06 -0.12 0.41 0.04 -1.27 0.03 116.94 115.71 1r16 h PHE 62 Ca -0.03 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1r16 h PHE 62 Cb 0.29 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 1r16 h PHE 62 CO -0.04 0.34 0.00 1.15 -0.60 0.00 0.00 178.31 179.16 1r16 h THR 63 N 0.05 1.24 -0.42 -1.55 2.02 -1.30 -2.13 112.91 110.83 1r16 h THR 63 Ca 0.01 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.34 1r16 h THR 63 Cb 0.53 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1r16 h THR 63 CO 0.04 0.23 -0.01 -1.28 0.37 0.00 0.00 175.52 174.86 1r16 h SER 64 N -0.05 0.65 0.54 4.18 0.87 -0.91 -3.20 113.55 115.63 1r16 h SER 64 Ca 0.03 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1r16 h SER 64 Cb 0.34 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1r16 h SER 64 CO 0.01 0.73 -0.16 0.00 -0.53 0.00 0.00 176.83 176.88 1r16 n ALA 65 N -2.48 2.80 -2.16 6.23 0.00 -0.04 -4.62 120.51 120.24 1r16 n ALA 65 Ca 0.02 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 1r16 n ALA 65 Cb 0.29 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.70 4.51 0.19 0.00 2.00 -0.81 -4.58 119.66 118.26 1r16 s GLN 66 Ca 0.22 1.79 0.08 0.00 -2.00 0.00 0.00 55.36 55.45 1r16 s GLN 66 Cb 0.19 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.68 1r16 s GLN 66 CO 0.53 -0.08 -0.04 -0.65 -0.50 0.00 0.00 175.29 174.55 1r16 s GLN 67 N 0.09 2.25 0.14 1.67 -0.21 -1.26 -4.94 119.66 117.40 1r16 s GLN 67 Ca 0.53 -1.21 -0.30 0.00 0.02 0.00 0.00 55.36 54.41 1r16 s GLN 67 Cb -0.31 -2.26 -0.07 0.00 1.00 0.00 0.00 33.01 31.38 1r16 s GLN 67 CO 0.34 0.44 1.07 -0.65 -2.12 0.00 0.00 175.29 174.36 1r16 s GLN 68 N -2.98 4.61 0.07 2.91 -0.21 -1.26 -4.98 119.66 117.82 1r16 s GLN 68 Ca 0.27 1.64 0.00 0.00 0.02 0.00 0.00 55.36 57.29 1r16 s GLN 68 Cb -0.09 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.56 1r16 s GLN 68 CO 0.17 0.08 0.20 -0.51 -2.12 0.00 0.00 175.29 173.12 1r16 s LEU 69 N -0.09 4.31 0.18 2.90 1.43 -1.26 -4.54 118.68 121.60 1r16 s LEU 69 Ca 0.50 0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 53.52 1r16 s LEU 69 Cb -0.27 -2.91 -0.10 0.00 0.03 0.00 0.00 46.19 42.93 1r16 s LEU 69 CO 0.33 0.16 1.54 -2.16 0.23 0.00 0.00 176.35 176.44 1r16 s PRO 70 N -2.54 4.23 0.37 1.29 0.04 -1.26 -4.77 135.00 132.34 1r16 s PRO 70 Ca 0.34 2.33 -0.28 0.00 0.04 0.00 0.00 61.00 63.43 1r16 s PRO 70 Cb -0.13 -3.15 -0.11 0.00 0.04 0.00 0.00 34.50 31.15 1r16 s PRO 70 CO 0.27 -0.57 1.50 0.21 0.04 0.00 0.00 177.00 178.46 1r16 s LYS 71 N 0.88 4.11 0.00 4.56 2.20 -1.26 -2.25 119.74 127.98 1r16 s LYS 71 Ca 0.68 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.87 1r16 s LYS 71 Cb -0.43 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1r16 s LYS 71 CO 0.33 -0.55 0.00 0.09 -0.36 0.00 0.00 175.35 174.86 1r16 n ASN 72 N 0.69 -2.94 -0.27 1.43 3.02 -0.24 -4.84 115.26 112.12 1r16 n ASN 72 Ca 0.02 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.60 1r16 n ASN 72 Cb 0.39 -2.09 0.03 0.00 -0.61 0.00 0.00 39.78 37.50 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 -1.07 0.12 -2.58 3.52 4.76 -0.95 -4.76 118.16 117.20 1r16 n LYS 73 Ca 0.00 -0.95 -0.41 0.00 -2.87 0.00 0.00 58.31 54.07 1r16 n LYS 73 Cb 0.19 -1.13 -0.04 0.00 -1.84 0.00 0.00 35.03 32.22 1r16 n LYS 73 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1r16 s VAL 74 N -0.57 4.26 -0.01 -0.18 1.01 -1.26 -1.31 120.40 122.34 1r16 s VAL 74 Ca 0.08 1.77 0.08 0.00 0.00 0.00 0.00 61.98 63.91 1r16 s VAL 74 Cb 0.06 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1r16 s VAL 74 CO 0.08 0.22 -0.25 -0.32 0.00 0.00 0.00 175.10 174.83 1r16 s MET 75 N 0.36 1.99 0.27 2.72 0.00 -0.77 -1.44 119.30 122.43 1r16 s MET 75 Ca 0.52 -0.95 0.12 0.00 0.00 0.00 0.00 55.69 55.38 1r16 s MET 75 Cb -0.26 -1.97 -0.05 0.00 0.00 0.00 0.00 34.83 32.55 1r16 s MET 75 CO 0.31 0.53 -0.19 -0.06 0.00 0.00 0.00 175.02 175.61 1r16 s PHE 76 N -0.64 2.31 0.03 4.11 0.08 0.16 -4.51 117.98 119.52 1r16 s PHE 76 Ca 0.10 -0.33 -0.14 0.00 0.12 0.00 0.00 56.93 56.69 1r16 s PHE 76 Cb -0.10 -1.02 0.02 0.00 -0.57 0.00 0.00 43.02 41.35 1r16 s PHE 76 CO -0.00 0.69 0.30 1.67 -0.10 0.00 0.00 175.22 177.77 1r16 s TRP 77 N -2.40 -0.11 -0.05 0.36 1.48 -1.26 -1.39 118.94 115.57 1r16 s TRP 77 Ca 0.29 0.03 -0.02 0.00 -1.06 0.00 0.00 56.10 55.34 1r16 s TRP 77 Cb -0.05 0.09 0.04 0.00 -1.16 0.00 0.00 33.47 32.38 1r16 s TRP 77 CO 0.15 -0.47 0.09 -1.12 -4.06 0.00 0.00 176.95 171.54 1r16 s SER 78 N -1.87 0.69 0.00 -2.66 0.01 -0.21 -4.87 113.70 104.79 1r16 s SER 78 Ca -0.07 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1r16 s SER 78 Cb -0.02 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1r16 s SER 78 CO -0.01 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1r16 n GLY 79 N 4.98 0.36 2.61 3.44 0.00 -1.26 -3.00 105.19 112.33 1r16 n GLY 79 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.28 1.34 -0.17 1.61 0.24 -1.26 -4.81 118.33 113.00 1r16 n VAL 80 Ca 0.00 -3.52 -0.13 0.00 -2.04 0.00 0.00 64.34 58.65 1r16 n VAL 80 Cb 0.14 0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 32.61 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 2.89 -1.68 -0.61 6.34 5.03 -1.96 -0.83 116.97 126.15 1r16 h TYR 81 Ca 0.00 0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 1r16 h TYR 81 Cb 1.12 0.80 -0.03 0.00 1.55 0.00 0.00 36.73 40.16 1r16 h TYR 81 CO 0.58 -0.48 0.36 -0.44 -1.32 0.00 0.00 178.16 176.86 1r16 h ASP 82 N -0.35 0.74 -0.48 -2.11 5.19 -1.99 -2.15 116.42 115.27 1r16 h ASP 82 Ca 0.09 -0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 1r16 h ASP 82 Cb 0.58 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.88 1r16 h ASP 82 CO -0.63 0.60 0.07 -0.33 -3.12 0.00 0.00 179.24 175.82 1r16 h GLU 83 N 0.83 0.80 -0.28 3.56 3.07 -1.88 -0.81 114.58 119.86 1r16 h GLU 83 Ca 0.22 -0.22 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1r16 h GLU 83 Cb -0.00 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1r16 h GLU 83 CO -0.04 0.81 -0.11 0.00 -1.40 0.00 0.00 179.01 178.27 1r16 h ALA 84 N 0.96 0.40 -0.31 3.43 0.00 -1.10 -0.49 119.26 122.15 1r16 h ALA 84 Ca 0.14 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1r16 h ALA 84 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1r16 h ALA 84 CO 0.01 0.25 -0.30 0.45 0.00 0.00 0.00 179.25 179.66 1r16 h HIS 85 N 0.32 0.76 -0.43 0.00 3.86 -1.40 0.03 115.15 118.29 1r16 h HIS 85 Ca 0.07 -0.19 -0.11 0.00 -1.16 0.00 0.00 60.37 58.98 1r16 h HIS 85 Cb 0.61 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1r16 h HIS 85 CO 0.06 0.88 -0.18 -0.44 0.86 0.00 0.00 177.93 179.11 1r16 h ASP 86 N 0.56 0.84 0.16 2.45 3.32 -1.08 -2.06 116.42 120.62 1r16 h ASP 86 Ca 0.07 -0.29 -0.16 0.00 0.02 0.00 0.00 57.03 56.67 1r16 h ASP 86 Cb 0.80 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1r16 h ASP 86 CO 0.07 1.01 -0.59 0.22 -1.72 0.00 0.00 179.24 178.23 1r16 h TYR 87 N 0.74 0.56 0.00 4.55 3.20 -0.80 -3.07 116.97 122.14 1r16 h TYR 87 Ca 0.11 -0.21 -0.08 0.00 3.14 0.00 0.00 58.73 61.69 1r16 h TYR 87 Cb 0.70 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1r16 h TYR 87 CO 0.04 0.92 -0.39 0.00 -1.64 0.00 0.00 178.16 177.09 1r16 h ALA 88 N 1.04 1.05 -5.64 1.82 0.00 -0.87 -3.44 119.26 113.22 1r16 h ALA 88 Ca -0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 54.91 54.30 1r16 h ALA 88 Cb 1.12 -0.06 0.14 0.00 0.00 0.00 0.00 17.79 18.98 1r16 h ALA 88 CO 0.10 0.48 -0.74 -1.71 0.00 0.00 0.00 179.25 177.39 1r16 n ASN 89 N -3.63 -6.53 -4.29 0.00 4.05 -0.78 -1.73 115.26 102.36 1r16 n ASN 89 Ca -0.01 -0.67 -0.33 0.00 0.45 0.00 0.00 54.58 54.02 1r16 n ASN 89 Cb 0.49 -4.74 -0.08 0.00 1.23 0.00 0.00 39.78 36.68 1r16 n ASN 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1r16 n THR 90 N -3.17 -1.24 -0.71 -0.44 -1.04 -1.26 -0.67 114.28 105.75 1r16 n THR 90 Ca -0.07 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1r16 n THR 90 Cb 0.59 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 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 -2.52 0.81 0.25 3.41 0.00 -0.99 -4.96 105.19 101.18 1r16 n GLY 91 Ca -0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 3.19 -0.54 0.08 1.61 3.08 -0.74 -3.40 114.38 117.66 1r16 h ARG 92 Ca 0.00 0.04 -0.36 0.00 0.07 0.00 0.00 59.98 59.73 1r16 h ARG 92 Cb 0.00 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1r16 h ARG 92 CO 0.00 -0.36 -2.02 1.63 -1.07 0.00 0.00 179.97 178.15 1r16 n LYS 93 N -5.03 0.70 -4.05 0.04 4.01 -0.70 -5.01 118.16 108.12 1r16 n LYS 93 Ca -0.07 0.28 -0.07 0.00 -0.51 0.00 0.00 58.31 57.94 1r16 n LYS 93 Cb 0.22 -1.67 -0.09 0.00 -0.51 0.00 0.00 35.03 32.98 1r16 n LYS 93 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1r16 s TYR 94 N -2.52 0.45 -0.08 2.13 2.02 -1.03 -4.88 117.35 113.44 1r16 s TYR 94 Ca -0.27 -0.98 -0.05 0.00 -0.37 0.00 0.00 57.07 55.41 1r16 s TYR 94 Cb 0.07 -0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.27 1r16 s TYR 94 CO 0.70 -0.42 0.13 0.42 -1.57 0.00 0.00 175.55 174.81 1r16 s ILE 95 N -3.91 5.30 0.43 2.71 -1.09 -0.43 -2.35 121.20 121.86 1r16 s ILE 95 Ca 0.07 0.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.57 1r16 s ILE 95 Cb 0.07 -3.35 -0.06 0.00 -1.58 0.00 0.00 42.46 37.54 1r16 s ILE 95 CO -0.10 0.52 0.05 0.42 -1.23 0.00 0.00 174.94 174.60 1r16 s THR 96 N -1.10 1.92 0.47 2.92 -4.23 -1.26 -1.85 115.64 112.50 1r16 s THR 96 Ca 0.19 -1.93 0.12 0.00 -1.18 0.00 0.00 61.69 58.89 1r16 s THR 96 Cb -0.12 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.15 1r16 s THR 96 CO 0.08 0.00 2.09 0.25 -0.54 0.00 0.00 174.62 176.50 1r16 h LEU 97 N 1.62 0.24 0.00 4.79 5.85 -1.98 -1.70 115.31 124.12 1r16 h LEU 97 Ca -0.44 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1r16 h LEU 97 Cb 1.26 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1r16 h LEU 97 CO 0.77 0.17 0.00 -0.62 -0.34 0.00 0.00 178.44 178.42 1r16 n GLU 98 N -4.50 0.13 0.04 1.25 4.71 -1.26 -2.08 120.64 118.94 1r16 n GLU 98 Ca 0.01 0.12 0.11 0.00 -0.01 0.00 0.00 57.16 57.40 1r16 n GLU 98 Cb 0.13 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.13 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 -1.40 0.64 -4.87 1.62 8.00 -0.64 -2.65 116.55 117.25 1r16 n ASP 99 Ca 0.07 -0.07 -0.31 0.00 0.71 0.00 0.00 54.79 55.20 1r16 n ASP 99 Cb 0.21 0.58 0.02 0.00 -0.02 0.00 0.00 41.12 41.91 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 -3.20 4.36 0.13 -3.53 -4.23 -0.88 -4.79 115.64 103.50 1r16 s THR 100 Ca 0.04 0.76 -0.27 0.00 -1.18 0.00 0.00 61.69 61.04 1r16 s THR 100 Cb 0.14 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 1r16 s THR 100 CO 0.77 -1.00 1.61 0.25 -0.54 0.00 0.00 174.62 175.72 1r16 h LEU 101 N -0.41 -0.99 -1.14 4.79 5.85 -1.86 0.44 115.31 121.98 1r16 h LEU 101 Ca -0.44 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1r16 h LEU 101 Cb 1.21 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 42.62 1r16 h LEU 101 CO 0.63 -0.38 0.12 1.55 -0.34 0.00 0.00 178.44 180.01 1r16 h PRO 102 N -0.45 0.72 -0.16 5.25 0.13 -1.90 -1.02 132.00 134.58 1r16 h PRO 102 Ca 0.07 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1r16 h PRO 102 Cb 0.56 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1r16 h PRO 102 CO -0.30 0.65 -0.03 0.78 -0.23 0.00 0.00 178.00 178.87 1r16 h GLY 103 N 0.90 0.32 0.66 1.56 0.00 -1.57 -2.60 103.07 102.35 1r16 h GLY 103 Ca 0.16 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.27 1r16 h GLY 103 CO -0.00 0.24 0.14 -1.82 0.00 0.00 0.00 176.54 175.09 1r16 h TYR 104 N 0.01 0.24 -0.37 5.60 5.03 -0.67 -0.91 116.97 125.90 1r16 h TYR 104 Ca 0.04 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1r16 h TYR 104 Cb 0.45 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.66 1r16 h TYR 104 CO 0.05 0.10 0.24 0.52 -1.32 0.00 0.00 178.16 177.74 1r16 h MET 105 N 0.30 0.50 -0.02 1.82 2.86 -1.14 -3.28 114.93 115.96 1r16 h MET 105 Ca 0.18 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1r16 h MET 105 Cb 0.16 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1r16 h MET 105 CO -0.18 0.35 -0.22 1.28 1.06 0.00 0.00 176.91 179.21 1r16 n LEU 106 N -4.81 2.47 -4.66 1.22 7.99 -0.98 -4.81 117.00 113.42 1r16 n LEU 106 Ca -0.00 -0.89 -0.50 0.00 -0.01 0.00 0.00 56.01 54.61 1r16 n LEU 106 Cb 0.04 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.29 1r16 n LEU 106 CO 0.35 0.43 1.22 -3.20 -1.51 0.00 0.00 177.39 174.68 1r16 n ASN 107 N 0.67 2.72 0.00 -1.43 4.05 -0.35 -1.15 115.26 119.77 1r16 n ASN 107 Ca 0.11 1.06 0.00 0.00 0.45 0.00 0.00 54.58 56.20 1r16 n ASN 107 Cb 0.52 -1.31 0.00 0.00 1.23 0.00 0.00 39.78 40.22 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 4.36 -4.26 -4.93 1.20 7.64 -1.26 -5.01 113.62 111.35 1r16 n SER 108 Ca 0.20 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.83 1r16 n SER 108 Cb 0.24 -2.04 0.00 0.00 -1.01 0.00 0.00 64.21 61.40 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 3.74 -0.07 -3.43 1.43 -0.30 -5.02 118.68 115.04 1r16 s LEU 109 Ca 0.00 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1r16 s LEU 109 Cb 0.00 -3.51 0.02 0.00 0.03 0.00 0.00 46.19 42.73 1r16 s LEU 109 CO 0.00 -0.54 -0.10 -0.69 0.23 0.00 0.00 176.35 175.25 1r16 s VAL 110 N -2.57 0.98 0.10 -1.59 1.01 -1.26 -4.99 120.40 112.08 1r16 s VAL 110 Ca 0.45 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 1r16 s VAL 110 Cb -0.10 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.40 1r16 s VAL 110 CO 0.40 0.33 0.48 -1.66 0.00 0.00 0.00 175.10 174.65 1r16 s TRP 111 N 0.83 -0.35 0.05 5.22 -2.14 -1.26 -1.44 118.94 119.85 1r16 s TRP 111 Ca -0.12 0.20 -0.27 0.00 2.66 0.00 0.00 56.10 58.58 1r16 s TRP 111 Cb -0.15 0.34 0.07 0.00 -3.10 0.00 0.00 33.47 30.63 1r16 s TRP 111 CO 0.02 -0.70 0.67 0.00 -2.66 0.00 0.00 176.95 174.28 1r16 s GLY 113 N -2.07 1.74 0.03 0.00 0.00 -1.26 -1.44 107.32 104.34 1r16 s GLY 113 Ca -0.03 -1.19 -0.21 0.00 0.00 0.00 0.00 44.72 43.28 1r16 s GLY 113 CO -0.03 -0.76 0.48 -0.86 0.00 0.00 0.00 173.10 171.93 1r16 s GLN 114 N -5.16 0.98 0.04 2.90 -2.07 -0.38 -3.10 119.66 112.86 1r16 s GLN 114 Ca 0.62 -0.23 -0.20 0.00 -1.82 0.00 0.00 55.36 53.72 1r16 s GLN 114 Cb -0.09 0.44 -0.15 0.00 -1.09 0.00 0.00 33.01 32.12 1r16 s GLN 114 CO 0.44 -0.34 1.31 0.00 -1.32 0.00 0.00 175.29 175.38 1r16 h ARG 115 N 2.95 0.37 -7.13 9.60 3.08 -1.80 -2.88 114.38 118.56 1r16 h ARG 115 Ca -0.31 -0.21 -0.51 0.00 0.07 0.00 0.00 59.98 59.02 1r16 h ARG 115 Cb 1.20 0.02 0.10 0.00 0.08 0.00 0.00 29.97 31.37 1r16 h ARG 115 CO 0.42 0.79 0.42 0.00 -1.07 0.00 0.00 179.97 180.52 1r16 s ALA 116 N -4.17 2.54 0.42 0.04 0.00 -1.26 -4.64 121.76 114.69 1r16 s ALA 116 Ca -0.14 0.77 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 1r16 s ALA 116 Cb 0.05 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1r16 s ALA 116 CO 0.76 -1.11 1.14 -1.71 0.00 0.00 0.00 175.76 174.85 1r16 n ASN 117 N -1.85 1.90 -0.08 0.00 2.85 -1.26 -1.03 115.26 115.79 1r16 n ASN 117 Ca 0.12 1.08 0.00 0.00 -0.11 0.00 0.00 54.58 55.66 1r16 n ASN 117 Cb 0.51 -1.42 0.00 0.00 1.24 0.00 0.00 39.78 40.11 1r16 n ASN 117 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r16 n PRO 118 N 0.10 0.96 -0.20 1.20 -0.04 -1.26 -4.91 135.00 130.86 1r16 n PRO 118 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1r16 n PRO 118 Cb 0.39 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.40 0.95 3.09 0.55 0.00 -0.20 -4.84 105.19 105.13 1r16 n GLY 119 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.60 0.10 -0.29 1.61 -0.71 -1.26 -1.01 117.98 113.82 1r16 s PHE 120 Ca 0.00 -0.26 -0.16 0.00 -1.04 0.00 0.00 56.93 55.47 1r16 s PHE 120 Cb 0.00 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.70 1r16 s PHE 120 CO 0.00 -0.29 0.44 1.21 -1.34 0.00 0.00 175.22 175.25 1r16 s ASN 121 N -1.52 6.31 0.00 1.98 3.84 -0.52 -4.74 114.94 120.29 1r16 s ASN 121 Ca -0.13 0.22 0.27 0.00 0.21 0.00 0.00 52.86 53.42 1r16 s ASN 121 Cb -0.07 -2.24 0.79 0.00 -0.55 0.00 0.00 41.25 39.18 1r16 s ASN 121 CO 0.00 -0.30 1.59 -0.62 -2.79 0.00 0.00 177.10 174.99 1r16 n GLU 122 N 5.49 1.69 -0.03 0.43 1.02 -1.26 -4.44 120.64 123.54 1r16 n GLU 122 Ca -0.06 -1.11 -0.03 0.00 -0.02 0.00 0.00 57.16 55.93 1r16 n GLU 122 Cb 0.50 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.39 1r16 n GLU 122 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1r16 n LYS 123 N 0.32 2.74 -3.64 3.49 2.85 -1.26 -4.76 118.16 117.90 1r16 n LYS 123 Ca 0.17 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.28 1r16 n LYS 123 Cb 0.41 -1.17 -0.08 0.00 -0.65 0.00 0.00 35.03 33.55 1r16 n LYS 123 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1r16 s VAL 124 N -2.16 0.01 0.09 0.58 0.11 -1.26 -4.57 120.40 113.20 1r16 s VAL 124 Ca -0.04 -0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.06 1r16 s VAL 124 Cb 0.02 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 1r16 s VAL 124 CO 0.26 -0.03 -0.25 0.00 -3.33 0.00 0.00 175.10 171.76 1r16 n PRO 126 N 1.28 -0.29 0.00 0.00 -0.04 -1.26 -1.34 135.00 133.35 1r16 n PRO 126 Ca -0.18 -0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.28 1r16 n PRO 126 Cb 0.53 -2.25 0.15 0.00 -0.04 0.00 0.00 33.50 31.89 1r16 n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1r16 n ASP 127 N -3.30 0.00 0.00 3.54 9.92 -1.26 -4.49 116.55 120.97 1r16 n ASP 127 Ca 0.11 -0.96 0.00 0.00 -0.53 0.00 0.00 54.79 53.41 1r16 n ASP 127 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1r16 n ASP 127 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1r16 n PHE 128 N -0.64 0.00 0.52 1.24 3.72 -1.26 -4.22 117.46 116.82 1r16 n PHE 128 Ca 0.04 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.52 1r16 n PHE 128 Cb 0.02 -0.94 -0.10 0.00 -0.94 0.00 0.00 39.48 37.51 1r16 n PHE 128 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1r16 n LYS 129 N 0.20 1.37 0.00 -1.08 4.76 -1.26 -3.86 118.16 118.29 1r16 n LYS 129 Ca 0.00 -0.05 0.12 0.00 -2.87 0.00 0.00 58.31 55.51 1r16 n LYS 129 Cb 0.10 -1.29 0.14 0.00 -1.84 0.00 0.00 35.03 32.14 1r16 n LYS 129 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1r16 n THR 130 N -1.59 0.00 -4.34 -0.18 -2.24 -1.26 -4.89 114.28 99.78 1r16 n THR 130 Ca 0.01 -0.09 -0.33 0.00 -2.27 0.00 0.00 64.05 61.38 1r16 n THR 130 Cb 0.30 0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 69.12 1r16 n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r16 s PRO 132 N -1.48 0.57 0.24 0.00 0.04 -1.26 -4.61 135.00 128.49 1r16 s PRO 132 Ca 0.18 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 1r16 s PRO 132 Cb -0.11 -1.69 0.31 0.00 0.04 0.00 0.00 34.50 33.05 1r16 s PRO 132 CO 0.09 -2.88 1.86 -0.24 0.04 0.00 0.00 177.00 175.88 1r16 h VAL 133 N -2.04 1.08 0.00 -0.36 3.04 -1.98 -1.24 116.25 114.74 1r16 h VAL 133 Ca -0.48 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 1r16 h VAL 133 Cb 1.28 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1r16 h VAL 133 CO 0.44 0.18 0.00 0.00 -1.01 0.00 0.00 177.57 177.18 1r16 n GLN 134 N -4.59 0.15 -0.11 4.17 0.00 -1.26 -2.11 117.38 113.64 1r16 n GLN 134 Ca 0.12 0.48 -0.21 0.00 0.00 0.00 0.00 57.00 57.39 1r16 n GLN 134 Cb 0.15 -1.85 -0.09 0.00 0.00 0.00 0.00 30.24 28.44 1r16 n GLN 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1r16 n ALA 135 N -1.74 0.84 -0.27 2.61 0.00 -0.75 -3.11 120.51 118.09 1r16 n ALA 135 Ca 0.01 -0.64 0.08 0.00 0.00 0.00 0.00 53.44 52.89 1r16 n ALA 135 Cb 0.15 -0.29 0.22 0.00 0.00 0.00 0.00 19.45 19.53 1r16 n ALA 135 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1r16 h ARG 136 N -1.00 0.25 -0.64 0.00 2.43 -1.17 -1.40 114.38 112.85 1r16 h ARG 136 Ca -0.37 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1r16 h ARG 136 Cb 1.26 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1r16 h ARG 136 CO -0.22 0.17 0.00 0.39 -1.51 0.00 0.00 179.97 178.79 1r16 n GLU 137 N -5.17 2.96 -0.02 0.20 1.02 -0.90 -4.63 120.64 114.11 1r16 n GLU 137 Ca 0.17 -2.41 -0.09 0.00 -0.02 0.00 0.00 57.16 54.80 1r16 n GLU 137 Cb 0.53 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 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 3.68 -0.83 0.16 1.62 0.87 -1.18 -0.18 113.55 117.69 1r16 h SER 138 Ca 0.00 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1r16 h SER 138 Cb 1.09 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1r16 h SER 138 CO 0.11 -0.31 -0.08 0.15 -0.53 0.00 0.00 176.83 176.17 1r16 h PHE 139 N -0.32 -0.21 0.00 2.24 3.57 -1.82 -2.79 116.94 117.62 1r16 h PHE 139 Ca 0.11 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1r16 h PHE 139 Cb 0.49 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1r16 h PHE 139 CO -0.38 0.17 -0.29 -1.49 -2.23 0.00 0.00 178.31 174.09 1r16 h TRP 140 N -0.95 0.00 -0.29 0.41 4.06 -1.89 -0.71 115.95 116.59 1r16 h TRP 140 Ca -0.02 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.81 1r16 h TRP 140 Cb 0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.62 1r16 h TRP 140 CO 0.07 0.29 -0.28 0.78 -3.56 0.00 0.00 178.44 175.74 1r16 h GLY 141 N 1.97 0.76 1.53 1.49 0.00 -1.13 -1.44 103.07 106.26 1r16 h GLY 141 Ca -0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 47.33 46.37 1r16 h GLY 141 CO 0.04 0.70 -0.66 1.98 0.00 0.00 0.00 176.54 178.60 1r16 h MET 142 N 0.44 0.47 -0.37 4.80 1.85 -1.30 -1.85 114.93 118.99 1r16 h MET 142 Ca 0.05 -0.35 0.04 0.00 -0.61 0.00 0.00 59.70 58.83 1r16 h MET 142 Cb 0.85 0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.90 1r16 h MET 142 CO 0.07 0.97 0.15 0.00 -0.40 0.00 0.00 176.91 177.70 1r16 h ALA 143 N 0.94 0.44 -0.52 0.39 0.00 -1.02 -0.01 119.26 119.48 1r16 h ALA 143 Ca -0.02 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1r16 h ALA 143 Cb 1.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1r16 h ALA 143 CO 0.12 -0.23 -0.06 0.77 0.00 0.00 0.00 179.25 179.85 1r16 h SER 144 N 0.32 0.96 -0.45 0.00 0.02 -1.22 -1.05 113.55 112.13 1r16 h SER 144 Ca 0.16 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1r16 h SER 144 Cb 0.11 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1r16 h SER 144 CO -0.14 1.06 0.24 0.28 -1.14 0.00 0.00 176.83 177.13 1r16 h SER 145 N 0.83 0.56 -0.16 3.07 0.02 -1.11 -0.90 113.55 115.87 1r16 h SER 145 Ca 0.14 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.84 1r16 h SER 145 Cb 0.61 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1r16 h SER 145 CO 0.04 0.50 -0.45 -1.28 -1.14 0.00 0.00 176.83 174.50 1r16 h SER 146 N 0.58 0.77 -0.13 3.07 0.87 -0.92 -2.48 113.55 115.31 1r16 h SER 146 Ca 0.16 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1r16 h SER 146 Cb 0.07 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1r16 h SER 146 CO -0.02 1.10 0.07 0.22 -0.53 0.00 0.00 176.83 177.67 1r16 h TYR 147 N 0.57 0.19 -0.74 2.24 3.20 -1.08 -3.08 116.97 118.27 1r16 h TYR 147 Ca 0.04 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1r16 h TYR 147 Cb 1.00 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 1r16 h TYR 147 CO 0.05 0.22 0.42 0.00 -1.64 0.00 0.00 178.16 177.21 1r16 h ALA 148 N 0.95 0.95 -0.26 1.82 0.00 -1.13 -2.39 119.26 119.20 1r16 h ALA 148 Ca 0.05 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1r16 h ALA 148 Cb 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1r16 h ALA 148 CO -0.01 0.45 0.18 1.25 0.00 0.00 0.00 179.25 181.13 1r16 h HIS 149 N 1.02 0.13 -0.01 0.00 -0.00 -1.42 -2.04 115.15 112.84 1r16 h HIS 149 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 1r16 h HIS 149 Cb 0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1r16 h HIS 149 CO -0.00 0.07 -0.21 0.43 -0.00 0.00 0.00 177.93 178.22 1r16 n SER 150 N -4.48 0.99 -4.77 3.26 7.64 -0.91 -4.73 113.62 110.61 1r16 n SER 150 Ca 0.03 -0.90 -0.38 0.00 1.01 0.00 0.00 58.87 58.63 1r16 n SER 150 Cb 0.25 0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 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 -2.45 3.13 0.03 -0.43 0.00 -0.77 -4.28 121.76 117.00 1r16 s ALA 151 Ca 0.26 0.86 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1r16 s ALA 151 Cb 0.20 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1r16 s ALA 151 CO 0.49 -0.39 -0.07 -1.21 0.00 0.00 0.00 175.76 174.58 1r16 s GLU 152 N -2.34 0.49 4.26 0.00 2.02 -1.26 -4.49 118.70 117.38 1r16 s GLU 152 Ca 0.57 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.88 1r16 s GLU 152 Cb -0.27 -0.25 0.00 0.00 0.10 0.00 0.00 34.13 33.70 1r16 s GLU 152 CO 0.34 0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.07 1r16 n GLY 153 N 1.64 0.83 3.73 -1.39 0.00 0.93 -1.07 105.19 109.85 1r16 n GLY 153 Ca -0.22 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 4.64 0.15 1.61 2.02 -1.26 -1.25 118.70 124.61 1r16 s GLU 154 Ca 0.00 1.53 0.09 0.00 0.02 0.00 0.00 54.97 56.60 1r16 s GLU 154 Cb 0.00 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1r16 s GLU 154 CO 0.00 0.11 -0.13 0.14 0.02 0.00 0.00 175.26 175.40 1r16 s VAL 155 N 0.19 3.09 0.02 2.63 -7.23 -0.28 -3.93 120.40 114.88 1r16 s VAL 155 Ca 0.49 -1.57 0.06 0.00 -1.81 0.00 0.00 61.98 59.16 1r16 s VAL 155 Cb -0.25 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1r16 s VAL 155 CO 0.31 -0.02 -0.17 -0.89 -0.31 0.00 0.00 175.10 174.02 1r16 s THR 156 N -1.47 2.89 -0.14 5.32 2.01 -0.52 -0.64 115.64 123.09 1r16 s THR 156 Ca 0.22 -1.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 1r16 s THR 156 Cb -0.10 -2.21 0.04 0.00 0.01 0.00 0.00 72.50 70.25 1r16 s THR 156 CO 0.13 0.38 -0.00 -0.47 -0.69 0.00 0.00 174.62 173.97 1r16 s TYR 157 N -0.90 1.08 -0.19 4.92 5.04 -0.39 0.36 117.35 127.27 1r16 s TYR 157 Ca 0.14 -0.66 -0.08 0.00 -2.44 0.00 0.00 57.07 54.03 1r16 s TYR 157 Cb -0.11 -1.03 -0.04 0.00 0.35 0.00 0.00 41.96 41.14 1r16 s TYR 157 CO 0.05 -0.51 0.07 1.41 -1.34 0.00 0.00 175.55 175.23 1r16 s MET 158 N 1.84 3.97 0.21 4.97 -2.45 -0.49 -1.01 119.30 126.34 1r16 s MET 158 Ca 0.02 -0.34 0.04 0.00 -1.25 0.00 0.00 55.69 54.15 1r16 s MET 158 Cb -0.15 -3.24 -0.05 0.00 1.25 0.00 0.00 34.83 32.64 1r16 s MET 158 CO -0.07 0.24 -0.02 0.14 1.05 0.00 0.00 175.02 176.35 1r16 s VAL 159 N 0.47 1.03 -0.34 10.11 -7.23 -0.74 -1.04 120.40 122.66 1r16 s VAL 159 Ca 0.04 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 57.98 1r16 s VAL 159 Cb -0.13 -2.21 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 1r16 s VAL 159 CO 0.01 -0.43 0.56 -0.62 -0.31 0.00 0.00 175.10 174.31 1r16 s ASP 160 N -3.26 6.38 -0.03 4.85 -1.08 -1.16 -1.03 116.67 121.34 1r16 s ASP 160 Ca 0.25 0.14 0.17 0.00 -0.52 0.00 0.00 52.55 52.60 1r16 s ASP 160 Cb 0.05 -2.29 0.55 0.00 -1.46 0.00 0.00 42.92 39.77 1r16 s ASP 160 CO 0.06 -0.49 1.45 0.61 0.52 0.00 0.00 175.17 177.32 1r16 n GLY 161 N 4.67 1.95 0.31 2.66 0.00 0.05 -3.94 105.19 110.89 1r16 n GLY 161 Ca -0.03 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.39 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 1.15 1.64 -4.25 1.61 7.64 -1.25 -0.39 113.62 119.77 1r16 n SER 162 Ca 0.20 -2.88 -0.41 0.00 1.01 0.00 0.00 58.87 56.80 1r16 n SER 162 Cb 0.59 -0.38 -0.09 0.00 -1.01 0.00 0.00 64.21 63.32 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 -2.43 5.70 0.15 6.43 3.84 -1.26 -4.84 114.94 122.53 1r16 s ASN 163 Ca 0.25 -1.71 0.15 0.00 0.21 0.00 0.00 52.86 51.77 1r16 s ASN 163 Cb 0.23 -2.01 0.71 0.00 -0.55 0.00 0.00 41.25 39.63 1r16 s ASN 163 CO 0.00 -0.63 1.47 -0.81 -2.79 0.00 0.00 177.10 174.34 1r16 n PRO 164 N 4.93 0.09 0.00 0.43 -0.04 -1.26 -2.26 135.00 136.89 1r16 n PRO 164 Ca -0.09 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1r16 n PRO 164 Cb 0.42 -1.72 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 1r16 n PRO 164 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r16 n LYS 165 N -1.89 0.13 -3.65 0.54 4.76 -1.26 -4.89 118.16 111.90 1r16 n LYS 165 Ca 0.01 -0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.19 1r16 n LYS 165 Cb 0.11 -1.52 -0.17 0.00 -1.84 0.00 0.00 35.03 31.61 1r16 n LYS 165 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1r16 s VAL 166 N -3.10 -0.03 0.68 -0.18 1.01 -0.96 -5.15 120.40 112.67 1r16 s VAL 166 Ca 0.06 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 1r16 s VAL 166 Cb 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1r16 s VAL 166 CO 0.83 -0.08 1.27 -0.81 0.00 0.00 0.00 175.10 176.31 1r16 n PRO 167 N 5.26 0.95 -0.23 2.72 -0.04 -1.26 -4.55 135.00 137.85 1r16 n PRO 167 Ca -0.06 0.38 0.04 0.00 -0.04 0.00 0.00 63.50 63.82 1r16 n PRO 167 Cb 0.49 -2.51 0.14 0.00 -0.04 0.00 0.00 33.50 31.59 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 0.28 0.78 -3.29 0.55 0.00 -1.91 -3.39 119.26 112.28 1r16 h ALA 168 Ca -0.50 0.19 -0.68 0.00 0.00 0.00 0.00 54.91 53.92 1r16 h ALA 168 Cb 1.33 0.30 -0.33 0.00 0.00 0.00 0.00 17.79 19.10 1r16 h ALA 168 CO 0.52 -0.38 -0.87 -0.47 0.00 0.00 0.00 179.25 178.05 1r16 s TYR 169 N -6.10 2.62 -0.05 0.00 5.04 -1.26 -4.67 117.35 112.93 1r16 s TYR 169 Ca -0.13 -1.12 0.03 0.00 -2.44 0.00 0.00 57.07 53.41 1r16 s TYR 169 Cb 0.20 -1.76 0.01 0.00 0.35 0.00 0.00 41.96 40.76 1r16 s TYR 169 CO 0.75 -0.47 -0.12 1.03 -1.34 0.00 0.00 175.55 175.40 1r16 s ARG 170 N 0.52 1.47 0.55 4.97 0.52 -1.26 -4.86 118.95 120.86 1r16 s ARG 170 Ca -0.14 -0.40 0.32 0.00 -0.52 0.00 0.00 55.73 54.98 1r16 s ARG 170 Cb -0.17 -1.27 1.61 0.00 0.52 0.00 0.00 34.95 35.65 1r16 s ARG 170 CO 0.05 0.09 2.11 -1.00 0.02 0.00 0.00 175.30 176.56 1r16 h PRO 171 N 6.69 0.00 -0.47 3.54 0.13 -1.99 -2.53 132.00 137.36 1r16 h PRO 171 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1r16 h PRO 171 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1r16 h PRO 171 CO 0.48 0.07 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 1r16 n ASP 172 N -3.42 2.76 -4.78 1.44 3.85 -1.26 -2.35 116.55 112.80 1r16 n ASP 172 Ca -0.02 -1.96 -0.29 0.00 -0.71 0.00 0.00 54.79 51.81 1r16 n ASP 172 Cb 0.22 -0.31 0.12 0.00 -1.35 0.00 0.00 41.12 39.80 1r16 n ASP 172 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1r16 s SER 173 N -1.13 3.81 0.29 -1.12 1.04 -0.95 -4.73 113.70 110.91 1r16 s SER 173 Ca 0.35 0.85 -0.01 0.00 0.48 0.00 0.00 55.95 57.63 1r16 s SER 173 Cb 0.19 -1.36 0.42 0.00 0.10 0.00 0.00 66.02 65.37 1r16 s SER 173 CO 0.25 -2.35 1.84 -0.26 0.98 0.00 0.00 173.24 173.70 1r16 h PHE 174 N -1.36 0.83 -0.36 5.02 -1.00 -1.91 0.18 116.94 118.34 1r16 h PHE 174 Ca -0.48 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.20 1r16 h PHE 174 Cb 1.33 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 40.63 1r16 h PHE 174 CO 0.17 0.69 0.12 0.35 -1.61 0.00 0.00 178.31 178.03 1r16 h PHE 175 N 0.78 0.57 -0.16 -0.55 3.57 -1.89 0.96 116.94 120.21 1r16 h PHE 175 Ca 0.17 -0.06 -0.19 0.00 3.53 0.00 0.00 57.97 61.43 1r16 h PHE 175 Cb 0.28 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1r16 h PHE 175 CO 0.02 0.55 -0.66 0.78 -2.23 0.00 0.00 178.31 176.76 1r16 h GLY 176 N 0.43 0.68 1.01 2.40 0.00 -1.58 0.06 103.07 106.07 1r16 h GLY 176 Ca 0.12 -0.89 -0.33 0.00 0.00 0.00 0.00 47.33 46.23 1r16 h GLY 176 CO -0.00 0.79 -1.69 1.70 0.00 0.00 0.00 176.54 177.33 1r16 h LYS 177 N 0.45 0.26 0.00 4.80 3.64 -0.26 -3.41 116.57 122.05 1r16 h LYS 177 Ca -0.02 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1r16 h LYS 177 Cb 1.25 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1r16 h LYS 177 CO 0.13 1.12 -1.21 0.66 -2.27 0.00 0.00 179.45 177.87 1r16 n TYR 178 N -3.45 0.00 -0.07 1.91 4.01 0.30 -4.76 117.16 115.11 1r16 n TYR 178 Ca -0.21 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.46 1r16 n TYR 178 Cb 1.05 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.95 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 -1.68 0.39 -0.25 -0.72 1.02 -0.77 -4.04 120.64 114.59 1r16 n GLU 179 Ca -0.01 0.22 0.05 0.00 -0.02 0.00 0.00 57.16 57.40 1r16 n GLU 179 Cb 0.15 -1.26 0.16 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.76 -0.24 -2.28 -4.62 5.85 -1.28 0.20 115.31 112.19 1r16 h LEU 180 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1r16 h LEU 180 Cb 0.68 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1r16 h LEU 180 CO 0.00 -0.14 0.00 -0.65 -0.34 0.00 0.00 178.44 177.31 1r16 h PRO 181 N 0.14 0.00 -0.17 5.25 0.11 -1.80 -2.74 132.00 132.79 1r16 h PRO 181 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1r16 h PRO 181 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1r16 h PRO 181 CO -0.61 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.27 1r16 n ASN 182 N -2.89 2.79 -4.73 -2.05 3.02 0.69 -4.96 115.26 107.12 1r16 n ASN 182 Ca -0.02 -1.82 -0.42 0.00 -0.03 0.00 0.00 54.58 52.30 1r16 n ASN 182 Cb 0.12 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.37 4.40 0.59 3.41 1.43 -1.04 -3.66 118.68 122.45 1r16 s LEU 183 Ca 0.26 2.37 0.07 0.00 -1.03 0.00 0.00 54.13 55.80 1r16 s LEU 183 Cb 0.16 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.87 1r16 s LEU 183 CO 0.23 -0.55 0.82 0.42 0.23 0.00 0.00 176.35 177.50 1r16 s THR 184 N 0.38 2.21 -0.72 5.49 -4.23 -1.26 -4.96 115.64 112.54 1r16 s THR 184 Ca 0.58 -0.91 0.11 0.00 -1.18 0.00 0.00 61.69 60.29 1r16 s THR 184 Cb -0.36 -2.30 0.10 0.00 1.34 0.00 0.00 72.50 71.29 1r16 s THR 184 CO 0.36 0.00 1.33 -0.46 -0.54 0.00 0.00 174.62 175.31 1r16 n ASN 185 N -2.34 0.23 -0.18 3.99 6.94 -1.26 -1.50 115.26 121.14 1r16 n ASN 185 Ca 0.15 0.59 0.15 0.00 -0.02 0.00 0.00 54.58 55.45 1r16 n ASN 185 Cb 0.61 -0.63 0.78 0.00 -2.36 0.00 0.00 39.78 38.18 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 -1.79 1.25 -3.58 -3.83 5.02 -1.26 -4.70 118.16 109.27 1r16 n LYS 186 Ca 0.00 -0.37 -0.36 0.00 -2.02 0.00 0.00 58.31 55.57 1r16 n LYS 186 Cb 0.06 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 1r16 n LYS 186 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r16 s VAL 187 N -2.00 5.11 0.00 -0.18 1.01 -0.56 -0.05 120.40 123.73 1r16 s VAL 187 Ca 0.44 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1r16 s VAL 187 Cb 0.21 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1r16 s VAL 187 CO 0.35 0.42 0.00 0.35 0.00 0.00 0.00 175.10 176.22 1r16 n THR 188 N 1.32 0.00 -3.63 3.92 -2.24 -0.38 -4.83 114.28 108.44 1r16 n THR 188 Ca -0.11 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 1r16 n THR 188 Cb 0.53 0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.25 0.83 -0.19 -0.78 3.52 -1.25 -1.51 118.95 118.31 1r16 s ARG 189 Ca 0.00 0.90 -0.02 0.00 -0.13 0.00 0.00 55.73 56.48 1r16 s ARG 189 Cb 0.00 0.40 -0.01 0.00 -1.56 0.00 0.00 34.95 33.79 1r16 s ARG 189 CO 0.00 -0.12 -0.09 0.08 -0.81 0.00 0.00 175.30 174.37 1r16 s VAL 190 N 0.23 3.13 -0.36 7.11 1.01 -0.58 -1.12 120.40 129.82 1r16 s VAL 190 Ca -0.01 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 1r16 s VAL 190 Cb -0.04 -2.38 0.06 0.00 0.00 0.00 0.00 36.38 34.01 1r16 s VAL 190 CO 0.02 0.47 0.13 -0.54 0.00 0.00 0.00 175.10 175.18 1r16 s LYS 191 N 1.12 2.50 0.00 2.72 1.02 0.19 -2.71 119.74 124.59 1r16 s LYS 191 Ca 0.01 -1.34 -0.20 0.00 0.02 0.00 0.00 55.97 54.47 1r16 s LYS 191 Cb -0.14 -3.49 -0.05 0.00 -0.52 0.00 0.00 37.83 33.62 1r16 s LYS 191 CO -0.02 -0.77 0.58 0.08 -0.92 0.00 0.00 175.35 174.30 1r16 s VAL 192 N 1.35 4.90 -0.24 3.17 1.01 -0.15 -1.26 120.40 129.18 1r16 s VAL 192 Ca 0.00 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.20 1r16 s VAL 192 Cb -0.21 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.30 1r16 s VAL 192 CO 0.01 0.44 -0.11 -0.63 0.00 0.00 0.00 175.10 174.81 1r16 s ILE 193 N -0.33 2.39 -0.23 2.22 1.01 -0.18 -1.20 121.20 124.88 1r16 s ILE 193 Ca 0.30 -1.28 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 1r16 s ILE 193 Cb -0.18 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1r16 s ILE 193 CO 0.17 0.17 0.44 -0.69 0.00 0.00 0.00 174.94 175.03 1r16 s VAL 194 N 1.22 5.14 -0.24 2.92 1.01 0.27 -1.80 120.40 128.93 1r16 s VAL 194 Ca -0.03 0.76 -0.21 0.00 0.00 0.00 0.00 61.98 62.51 1r16 s VAL 194 Cb -0.17 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1r16 s VAL 194 CO -0.07 0.17 0.63 -0.22 0.00 0.00 0.00 175.10 175.62 1r16 s LEU 195 N 1.79 4.08 -0.44 3.92 0.20 -0.20 -1.32 118.68 126.73 1r16 s LEU 195 Ca 0.19 0.75 -0.08 0.00 0.69 0.00 0.00 54.13 55.68 1r16 s LEU 195 Cb -0.15 -2.87 0.10 0.00 -0.43 0.00 0.00 46.19 42.84 1r16 s LEU 195 CO 0.09 -0.35 0.29 -1.00 -0.29 0.00 0.00 176.35 175.09 1r16 s HIS 196 N 2.35 3.41 0.41 5.38 3.76 -1.26 -0.77 115.29 128.57 1r16 s HIS 196 Ca 0.27 -1.82 -0.25 0.00 -0.15 0.00 0.00 55.06 53.11 1r16 s HIS 196 Cb -0.16 -3.23 -0.10 0.00 1.11 0.00 0.00 32.58 30.20 1r16 s HIS 196 CO 0.09 -0.93 1.15 0.54 -0.85 0.00 0.00 174.74 174.74 1r16 n ARG 197 N 4.86 1.66 -2.13 1.40 1.74 -1.26 -4.90 116.66 118.03 1r16 n ARG 197 Ca -0.08 0.59 -0.42 0.00 -0.77 0.00 0.00 57.85 57.17 1r16 n ARG 197 Cb 0.42 -2.21 -0.03 0.00 -1.02 0.00 0.00 32.46 29.61 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 -1.11 4.38 0.00 0.55 1.43 -1.26 -2.51 118.68 120.17 1r16 s LEU 198 Ca 0.62 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 56.14 1r16 s LEU 198 Cb -0.54 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.08 1r16 s LEU 198 CO 0.58 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 177.11 1r16 n GLY 199 N 3.10 0.81 3.54 -3.19 0.00 -1.26 -5.03 105.19 103.16 1r16 n GLY 199 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.06 1.94 0.27 1.61 2.02 -1.04 -5.10 118.70 118.34 1r16 s GLU 200 Ca 0.00 -1.32 -0.30 0.00 0.02 0.00 0.00 54.97 53.37 1r16 s GLU 200 Cb 0.00 -2.09 -0.11 0.00 0.10 0.00 0.00 34.13 32.03 1r16 s GLU 200 CO 0.00 0.43 1.53 0.21 0.02 0.00 0.00 175.26 177.45 1r16 s LYS 201 N -2.78 4.18 0.03 1.61 2.20 -1.26 -4.79 119.74 118.93 1r16 s LYS 201 Ca 0.24 2.46 -0.30 0.00 -0.36 0.00 0.00 55.97 58.00 1r16 s LYS 201 Cb -0.09 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.12 1r16 s LYS 201 CO 0.14 -0.54 1.17 0.42 -0.36 0.00 0.00 175.35 176.18 1r16 s ILE 202 N 0.01 4.18 -0.14 5.43 1.01 -1.26 -4.63 121.20 125.80 1r16 s ILE 202 Ca 0.62 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.83 1r16 s ILE 202 Cb -0.45 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 37.93 1r16 s ILE 202 CO 0.46 0.09 -0.13 -0.38 0.00 0.00 0.00 174.94 174.98 1r16 n ILE 203 N 4.08 0.80 -4.70 2.92 2.08 0.48 -5.01 119.36 120.02 1r16 n ILE 203 Ca 0.09 -0.30 -0.26 0.00 0.56 0.00 0.00 62.75 62.84 1r16 n ILE 203 Cb 0.47 -1.06 -0.14 0.00 -0.75 0.00 0.00 39.64 38.15 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 -2.28 1.45 0.07 0.38 0.41 0.03 -5.00 118.70 113.76 1r16 s GLU 204 Ca -0.19 -0.94 0.03 0.00 -0.41 0.00 0.00 54.97 53.46 1r16 s GLU 204 Cb 0.05 -1.56 -0.03 0.00 -1.78 0.00 0.00 34.13 30.81 1r16 s GLU 204 CO 0.32 0.40 -0.10 0.15 -0.49 0.00 0.00 175.26 175.54 1r16 s LYS 205 N -1.13 0.71 0.64 1.61 1.02 -1.26 -4.81 119.74 116.51 1r16 s LYS 205 Ca 0.08 -0.96 -0.18 0.00 0.02 0.00 0.00 55.97 54.93 1r16 s LYS 205 Cb -0.09 -0.48 -0.02 0.00 -0.52 0.00 0.00 37.83 36.73 1r16 s LYS 205 CO 0.02 0.08 1.27 0.00 -0.92 0.00 0.00 175.35 175.80 1r16 n GLY 207 N 0.77 0.80 3.25 0.00 0.00 -1.26 -5.00 105.19 103.75 1r16 n GLY 207 Ca 0.15 0.00 -0.09 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 -3.23 0.05 0.00 4.61 0.00 -1.08 -4.81 121.76 117.30 1r16 s ALA 208 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1r16 s ALA 208 Cb 0.00 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1r16 s ALA 208 CO 0.00 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.61 1r16 n GLY 209 N -0.12 3.04 0.27 0.00 0.00 -1.26 -2.19 105.19 104.93 1r16 n GLY 209 Ca -0.10 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 2.94 0.00 1.09 1.61 4.64 -1.93 -1.79 113.55 120.12 1r16 h SER 210 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 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 0.10 -0.18 -0.07 -0.87 0.00 0.00 176.83 175.81 1r16 h LEU 211 N 0.00 0.00 0.03 5.97 3.38 -1.74 -1.38 115.31 121.58 1r16 h LEU 211 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1r16 h LEU 211 Cb 0.29 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.06 1r16 h LEU 211 CO 0.01 0.18 -1.16 0.25 0.09 0.00 0.00 178.44 177.81 1r16 h LEU 212 N 0.00 0.67 -0.34 1.67 7.12 -1.20 -1.93 115.31 121.31 1r16 h LEU 212 Ca -0.00 -0.62 -0.02 0.00 0.13 0.00 0.00 57.88 57.37 1r16 h LEU 212 Cb 0.77 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1r16 h LEU 212 CO 0.02 1.44 0.14 0.44 -0.13 0.00 0.00 178.44 180.35 1r16 h ASP 213 N 0.21 0.46 -0.36 1.25 3.32 -1.30 -2.03 116.42 117.98 1r16 h ASP 213 Ca -0.15 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 56.79 1r16 h ASP 213 Cb 1.83 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 41.22 1r16 h ASP 213 CO 0.21 0.50 0.07 0.25 -1.72 0.00 0.00 179.24 178.55 1r16 h LEU 214 N 0.40 0.02 -0.90 1.55 5.85 -1.23 -1.68 115.31 119.32 1r16 h LEU 214 Ca 0.11 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.96 1r16 h LEU 214 Cb 0.18 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1r16 h LEU 214 CO -0.01 0.05 0.56 -0.08 -0.34 0.00 0.00 178.44 178.62 1r16 h GLU 215 N 0.20 0.98 -0.81 1.25 4.81 -1.04 0.80 114.58 120.77 1r16 h GLU 215 Ca 0.17 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1r16 h GLU 215 Cb 0.19 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1r16 h GLU 215 CO -0.22 0.65 0.36 -0.22 -0.73 0.00 0.00 179.01 178.84 1r16 h LYS 216 N 1.01 1.18 -0.10 1.92 3.64 -0.76 -1.25 116.57 122.21 1r16 h LYS 216 Ca 0.39 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1r16 h LYS 216 Cb 0.20 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1r16 h LYS 216 CO -0.18 0.93 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.83 1r16 h LEU 217 N 1.16 0.19 -0.07 5.20 3.38 -0.32 -2.59 115.31 122.26 1r16 h LEU 217 Ca 0.27 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1r16 h LEU 217 Cb 0.16 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1r16 h LEU 217 CO -0.03 0.53 -0.09 0.58 0.09 0.00 0.00 178.44 179.51 1r16 h VAL 218 N -0.15 0.74 -0.50 1.22 2.07 -0.70 -2.75 116.25 116.19 1r16 h VAL 218 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1r16 h VAL 218 Cb 0.45 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1r16 h VAL 218 CO 0.01 0.00 0.33 0.11 0.02 0.00 0.00 177.57 178.04 1r16 h LYS 219 N -0.13 0.55 0.00 1.57 1.57 -1.25 -1.07 116.57 117.82 1r16 h LYS 219 Ca 0.06 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1r16 h LYS 219 Cb 0.21 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1r16 h LYS 219 CO -0.15 0.37 -0.09 0.00 -0.57 0.00 0.00 179.45 179.01 1r16 h ALA 220 N 1.71 1.48 -0.40 3.86 0.00 -1.15 0.27 119.26 125.01 1r16 h ALA 220 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1r16 h ALA 220 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1r16 h ALA 220 CO -0.05 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.94 1r16 n LYS 221 N -3.88 3.43 -4.00 0.00 5.02 -0.42 -4.91 118.16 113.40 1r16 n LYS 221 Ca -0.02 -2.08 -0.32 0.00 -2.02 0.00 0.00 58.31 53.87 1r16 n LYS 221 Cb 0.18 -1.93 0.01 0.00 -0.02 0.00 0.00 35.03 33.27 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 0.50 -2.16 -4.25 2.13 8.25 0.08 -5.00 115.22 114.77 1r16 n HIS 222 Ca 0.18 0.88 -0.30 0.00 -0.26 0.00 0.00 57.72 58.22 1r16 n HIS 222 Cb 0.83 -3.70 -0.09 0.00 1.12 0.00 0.00 29.99 28.14 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 -3.30 2.86 0.87 4.41 0.08 -1.15 -4.98 117.98 116.78 1r16 s PHE 223 Ca 0.69 -0.08 -0.11 0.00 0.12 0.00 0.00 56.93 57.54 1r16 s PHE 223 Cb -0.35 -1.51 0.12 0.00 -0.57 0.00 0.00 43.02 40.70 1r16 s PHE 223 CO 0.86 0.43 1.09 0.00 -0.10 0.00 0.00 175.22 177.50 1r16 s ALA 224 N -1.19 1.68 -0.07 5.36 0.00 -0.57 -4.05 121.76 122.92 1r16 s ALA 224 Ca 0.22 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.11 1r16 s ALA 224 Cb -0.11 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1r16 s ALA 224 CO 0.14 -2.24 0.18 0.12 0.00 0.00 0.00 175.76 173.95 1r16 s PHE 225 N -2.93 -0.19 0.02 0.00 5.36 -1.26 -1.52 117.98 117.45 1r16 s PHE 225 Ca 0.63 0.48 -0.14 0.00 -0.96 0.00 0.00 56.93 56.94 1r16 s PHE 225 Cb -0.18 0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.58 1r16 s PHE 225 CO 0.57 -0.10 0.30 0.16 -1.46 0.00 0.00 175.22 174.69 1r16 s ASP 226 N 0.18 -0.15 -0.04 6.13 3.84 -1.10 -5.00 116.67 120.54 1r16 s ASP 226 Ca -0.01 -0.09 -0.03 0.00 -0.00 0.00 0.00 52.55 52.42 1r16 s ASP 226 Cb -0.02 0.34 0.02 0.00 -1.38 0.00 0.00 42.92 41.88 1r16 s ASP 226 CO -0.00 -0.55 0.11 0.00 -0.00 0.00 0.00 175.17 174.72 1r16 s VAL 228 N 0.42 0.52 -0.07 0.00 0.11 -0.34 -4.98 120.40 116.06 1r16 s VAL 228 Ca -0.03 -1.28 0.02 0.00 -2.93 0.00 0.00 61.98 57.76 1r16 s VAL 228 Cb -0.04 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1r16 s VAL 228 CO -0.02 -0.52 -0.13 -1.61 -3.33 0.00 0.00 175.10 169.49 1r16 s GLU 229 N -2.14 2.76 -0.90 1.54 2.02 -1.26 -0.56 118.70 120.15 1r16 s GLU 229 Ca -0.05 -0.67 -0.25 0.00 0.02 0.00 0.00 54.97 54.02 1r16 s GLU 229 Cb -0.06 -2.48 0.04 0.00 0.10 0.00 0.00 34.13 31.73 1r16 s GLU 229 CO -0.01 0.53 0.51 0.09 0.02 0.00 0.00 175.26 176.40 1r16 n ASN 230 N 2.59 -3.11 -4.72 -0.19 4.13 -0.43 -4.88 115.26 108.64 1r16 n ASN 230 Ca -0.17 -0.98 -0.36 0.00 1.68 0.00 0.00 54.58 54.74 1r16 n ASN 230 Cb 0.52 -1.19 0.08 0.00 -1.54 0.00 0.00 39.78 37.65 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 -6.74 2.35 0.28 3.52 0.04 -1.26 -4.52 135.00 128.66 1r16 s PRO 231 Ca 0.35 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.41 1r16 s PRO 231 Cb -0.20 -1.83 0.66 0.00 0.04 0.00 0.00 34.50 33.17 1r16 s PRO 231 CO 0.73 -1.74 1.65 0.00 0.04 0.00 0.00 177.00 177.69 1r16 h ARG 232 N 0.24 0.21 -0.90 4.56 3.08 -1.99 -0.60 114.38 118.98 1r16 h ARG 232 Ca -0.50 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.54 1r16 h ARG 232 Cb 1.33 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.29 1r16 h ARG 232 CO 0.52 0.14 0.59 0.00 -1.07 0.00 0.00 179.97 180.15 1r16 h ALA 233 N 1.75 1.14 -0.08 0.04 0.00 -2.01 -1.87 119.26 118.24 1r16 h ALA 233 Ca 0.53 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 1r16 h ALA 233 Cb 1.03 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1r16 h ALA 233 CO -0.63 0.55 -0.15 0.28 0.00 0.00 0.00 179.25 179.30 1r16 h VAL 234 N 1.23 1.40 -0.73 0.00 2.07 -1.55 -3.10 116.25 115.58 1r16 h VAL 234 Ca 0.33 -1.43 0.13 0.00 0.82 0.00 0.00 66.70 66.54 1r16 h VAL 234 Cb -0.13 2.16 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 1r16 h VAL 234 CO -0.07 0.40 0.30 0.25 0.02 0.00 0.00 177.57 178.47 1r16 h LEU 235 N -0.24 0.29 -1.15 2.57 5.85 -0.93 -1.37 115.31 120.33 1r16 h LEU 235 Ca 0.00 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1r16 h LEU 235 Cb 0.72 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 1r16 h LEU 235 CO 0.03 0.13 0.58 -0.26 -0.34 0.00 0.00 178.44 178.58 1r16 h PHE 236 N 0.46 1.08 -0.22 1.25 0.04 -1.37 0.60 116.94 118.79 1r16 h PHE 236 Ca 0.39 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.17 1r16 h PHE 236 Cb 0.55 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1r16 h PHE 236 CO -0.16 0.67 0.09 -0.07 -0.60 0.00 0.00 178.31 178.24 1r16 h LEU 237 N 1.15 0.29 -0.57 1.54 3.38 -1.21 0.28 115.31 120.17 1r16 h LEU 237 Ca 0.33 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.19 1r16 h LEU 237 Cb -0.09 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1r16 h LEU 237 CO -0.08 0.36 0.33 -0.07 0.09 0.00 0.00 178.44 179.07 1r16 h LEU 238 N 0.21 0.52 -1.34 1.67 3.38 -0.59 -2.33 115.31 116.83 1r16 h LEU 238 Ca 0.07 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1r16 h LEU 238 Cb 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1r16 h LEU 238 CO -0.01 0.36 -0.20 0.00 0.09 0.00 0.00 178.44 178.68 1r16 h SER 240 N 0.18 0.88 -0.15 0.00 0.87 -0.36 0.14 113.55 115.11 1r16 h SER 240 Ca 0.03 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1r16 h SER 240 Cb 0.46 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1r16 h SER 240 CO 0.03 0.75 0.00 0.47 -0.53 0.00 0.00 176.83 177.55 1r16 n ASP 241 N -4.34 1.26 -2.72 6.23 10.43 -1.01 -4.21 116.55 122.19 1r16 n ASP 241 Ca 0.06 -1.70 -0.07 0.00 2.57 0.00 0.00 54.79 55.65 1r16 n ASP 241 Cb 0.14 -0.09 0.07 0.00 1.84 0.00 0.00 41.12 43.07 1r16 n ASP 241 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1r16 n ASN 242 N 0.07 -2.32 0.32 -2.24 2.85 -0.57 -5.03 115.26 108.33 1r16 n ASN 242 Ca 0.14 -3.09 0.20 0.00 -0.11 0.00 0.00 54.58 51.73 1r16 n ASN 242 Cb 0.25 1.65 1.10 0.00 1.24 0.00 0.00 39.78 44.02 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 3.35 0.00 -0.06 1.20 0.13 -0.95 -2.77 132.00 132.90 1r16 h PRO 243 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1r16 h PRO 243 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1r16 h PRO 243 CO 0.16 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.02 1r16 n ASN 244 N -3.35 1.38 -4.75 1.44 3.02 -1.26 -4.88 115.26 106.86 1r16 n ASN 244 Ca -0.03 -1.53 -0.37 0.00 -0.03 0.00 0.00 54.58 52.62 1r16 n ASN 244 Cb 0.09 -0.04 0.04 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.93 2.63 0.39 5.41 0.00 -1.04 -4.93 121.76 122.28 1r16 s ALA 245 Ca 0.36 1.18 0.11 0.00 0.00 0.00 0.00 51.96 53.62 1r16 s ALA 245 Cb 0.20 -3.52 0.78 0.00 0.00 0.00 0.00 23.12 20.57 1r16 s ALA 245 CO 0.31 -1.33 1.88 0.00 0.00 0.00 0.00 175.76 176.62 1r16 h ARG 246 N 1.08 0.11 0.00 0.00 3.08 -1.92 -1.86 114.38 114.87 1r16 h ARG 246 Ca -0.51 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.51 1r16 h ARG 246 Cb 1.31 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1r16 h ARG 246 CO 0.56 0.36 0.00 0.39 -1.07 0.00 0.00 179.97 180.20 1r16 n GLU 247 N -4.20 0.11 -0.73 0.04 4.71 -1.26 -2.68 120.64 116.62 1r16 n GLU 247 Ca -0.02 0.42 0.08 0.00 -0.01 0.00 0.00 57.16 57.64 1r16 n GLU 247 Cb 0.33 -1.74 0.36 0.00 -1.01 0.00 0.00 31.44 29.38 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 -2.45 4.36 0.33 0.00 3.52 -1.09 -4.98 118.95 118.63 1r16 s ARG 249 Ca 0.51 2.14 -0.02 0.00 -0.13 0.00 0.00 55.73 58.23 1r16 s ARG 249 Cb 0.37 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 1r16 s ARG 249 CO 0.17 -0.25 0.56 -0.51 -0.81 0.00 0.00 175.30 174.46 1r16 s LEU 250 N -0.66 4.01 0.00 -0.88 1.43 -1.26 -5.16 118.68 116.16 1r16 s LEU 250 Ca 0.55 0.58 0.29 0.00 -1.03 0.00 0.00 54.13 54.52 1r16 s LEU 250 Cb -0.38 -3.43 1.73 0.00 0.03 0.00 0.00 46.19 44.14 1r16 s LEU 250 CO 0.43 -0.27 2.07 0.00 0.23 0.00 0.00 176.35 178.81