#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r15 s VAL 2 N 0.00 5.20 0.61 9.51 0.11 -1.26 -0.93 120.40 133.64 1r15 s VAL 2 Ca 0.00 0.81 -0.18 0.00 -2.93 0.00 0.00 61.98 59.68 1r15 s VAL 2 Cb 0.00 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1r15 s VAL 2 CO 0.00 0.29 1.19 -2.16 -3.33 0.00 0.00 175.10 171.09 1r15 s PRO 3 N 0.98 2.91 0.27 1.54 0.04 -1.26 -4.82 135.00 134.65 1r15 s PRO 3 Ca 0.22 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 1r15 s PRO 3 Cb -0.15 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1r15 s PRO 3 CO 0.08 -1.24 1.48 0.99 0.04 0.00 0.00 177.00 178.36 1r15 s THR 4 N -1.72 2.47 0.58 1.26 2.01 0.83 -4.94 115.64 116.13 1r15 s THR 4 Ca 0.76 0.40 -0.17 0.00 0.31 0.00 0.00 61.69 62.99 1r15 s THR 4 Cb -0.29 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1r15 s THR 4 CO 0.34 0.07 1.07 -0.13 -0.69 0.00 0.00 174.62 175.28 1r15 s ARG 5 N -0.49 3.30 -1.60 4.92 0.52 -1.26 -3.82 118.95 120.52 1r15 s ARG 5 Ca 0.60 1.31 -0.05 0.00 -0.52 0.00 0.00 55.73 57.07 1r15 s ARG 5 Cb -0.44 -2.02 0.05 0.00 0.52 0.00 0.00 34.95 33.06 1r15 s ARG 5 CO 0.45 -0.84 0.17 0.39 0.02 0.00 0.00 175.30 175.49 1r15 n GLU 6 N -1.86 -1.19 -0.36 3.54 1.02 -1.26 -4.72 120.64 115.81 1r15 n GLU 6 Ca 0.09 0.14 -0.04 0.00 -0.02 0.00 0.00 57.16 57.33 1r15 n GLU 6 Cb 0.52 -3.91 0.00 0.00 -0.02 0.00 0.00 31.44 28.03 1r15 n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r15 h LEU 7 N -1.63 -1.58 -0.60 -4.62 5.85 -1.97 -0.27 115.31 110.49 1r15 h LEU 7 Ca -0.64 0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.44 1r15 h LEU 7 Cb 1.40 0.78 -0.09 0.00 0.37 0.00 0.00 40.66 43.12 1r15 h LEU 7 CO 0.74 -0.28 -0.52 -0.33 -0.34 0.00 0.00 178.44 177.70 1r15 h GLU 8 N -0.03 -0.20 -0.21 1.25 4.39 -1.94 0.27 114.58 118.11 1r15 h GLU 8 Ca 0.28 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1r15 h GLU 8 Cb 0.55 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1r15 h GLU 8 CO -0.93 -0.13 0.13 -0.91 -1.16 0.00 0.00 179.01 176.01 1r15 h ASN 9 N -0.21 0.22 -0.28 1.42 2.35 -1.50 0.16 115.58 117.75 1r15 h ASN 9 Ca 0.10 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1r15 h ASN 9 Cb 0.47 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 1r15 h ASN 9 CO -0.68 0.16 0.01 0.58 -1.65 0.00 0.00 177.43 175.85 1r15 h VAL 10 N 0.27 0.81 0.17 2.81 2.07 -0.58 0.77 116.25 122.56 1r15 h VAL 10 Ca 0.08 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1r15 h VAL 10 Cb -0.02 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1r15 h VAL 10 CO -0.03 0.02 -0.27 0.15 0.02 0.00 0.00 177.57 177.47 1r15 h PHE 11 N 0.09 -0.71 -0.75 1.57 3.04 -0.01 0.29 116.94 120.46 1r15 h PHE 11 Ca 0.13 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.05 1r15 h PHE 11 Cb 0.17 0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.94 1r15 h PHE 11 CO -0.21 -0.37 0.28 -0.07 -2.02 0.00 0.00 178.31 175.92 1r15 h LEU 12 N -0.50 1.05 0.16 0.59 3.38 -0.24 0.13 115.31 119.88 1r15 h LEU 12 Ca 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1r15 h LEU 12 Cb 0.51 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1r15 h LEU 12 CO -0.12 0.94 -0.08 1.23 0.09 0.00 0.00 178.44 180.50 1r15 h GLY 13 N 1.13 -0.23 1.07 0.83 0.00 0.98 0.19 103.07 107.04 1r15 h GLY 13 Ca 0.25 0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.69 1r15 h GLY 13 CO -0.02 -0.08 0.56 3.21 0.00 0.00 0.00 176.54 180.21 1r15 h ARG 14 N -0.36 1.05 0.45 4.80 3.08 -0.14 -0.13 114.38 123.14 1r15 h ARG 14 Ca -0.02 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1r15 h ARG 14 Cb 0.28 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1r15 h ARG 14 CO 0.04 0.70 -0.21 0.00 -1.07 0.00 0.00 179.97 179.42 1r15 h LYS 16 N -0.67 0.81 -0.92 0.00 1.63 -0.58 0.42 116.57 117.26 1r15 h LYS 16 Ca -0.06 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1r15 h LYS 16 Cb 0.50 -0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 31.89 1r15 h LYS 16 CO 0.10 0.54 0.59 0.22 -3.45 0.00 0.00 179.45 177.45 1r15 h ASP 17 N 0.84 0.97 0.69 4.20 3.58 -0.85 -1.24 116.42 124.62 1r15 h ASP 17 Ca 0.29 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 1r15 h ASP 17 Cb 0.04 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 40.89 1r15 h ASP 17 CO -0.12 0.65 -0.33 0.22 -2.88 0.00 0.00 179.24 176.78 1r15 h TYR 18 N 1.12 -0.86 -0.97 0.28 5.03 -0.41 -0.87 116.97 120.29 1r15 h TYR 18 Ca 0.38 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.76 1r15 h TYR 18 Cb 0.07 0.29 -0.12 0.00 1.55 0.00 0.00 36.73 38.51 1r15 h TYR 18 CO -0.01 -0.53 -0.58 1.49 -1.32 0.00 0.00 178.16 177.21 1r15 h GLU 19 N -1.23 -0.02 0.00 1.82 4.81 -0.60 -0.82 114.58 118.54 1r15 h GLU 19 Ca -0.10 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 1r15 h GLU 19 Cb 0.72 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 1r15 h GLU 19 CO 0.16 -0.01 -0.79 0.82 -0.73 0.00 0.00 179.01 178.45 1r15 h ILE 20 N -0.02 1.46 0.00 2.32 1.08 -1.30 -3.43 117.51 117.63 1r15 h ILE 20 Ca 0.16 -2.81 0.00 0.00 -0.39 0.00 0.00 64.86 61.83 1r15 h ILE 20 Cb 0.43 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 1r15 h ILE 20 CO -0.93 0.77 0.00 0.35 -0.69 0.00 0.00 178.15 177.66 1r15 n THR 21 N -3.44 0.00 -0.05 -0.27 -2.24 -0.34 -4.99 114.28 102.95 1r15 n THR 21 Ca 0.00 -0.07 -0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1r15 n THR 21 Cb 0.80 1.53 -0.00 0.00 -2.10 0.00 0.00 70.33 70.57 1r15 n THR 21 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1r15 h ARG 22 N 0.00 0.00 -0.88 -0.78 2.47 -1.09 -3.41 114.38 110.70 1r15 h ARG 22 Ca 0.00 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.24 1r15 h ARG 22 Cb 0.27 0.00 -0.42 0.00 -1.65 0.00 0.00 29.97 28.17 1r15 h ARG 22 CO 0.00 0.00 -0.90 0.66 0.56 0.00 0.00 179.97 180.29 1r15 n TYR 23 N -4.47 2.45 -0.30 3.04 4.02 -1.26 -4.87 117.16 115.77 1r15 n TYR 23 Ca -0.00 -2.45 0.25 0.00 -0.01 0.00 0.00 57.90 55.68 1r15 n TYR 23 Cb 0.01 -0.26 0.46 0.00 -0.02 0.00 0.00 39.34 39.52 1r15 n TYR 23 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1r15 n LEU 24 N -0.58 0.20 0.05 7.72 4.77 -1.26 -0.59 117.00 127.31 1r15 n LEU 24 Ca 0.32 1.51 0.11 0.00 -0.03 0.00 0.00 56.01 57.92 1r15 n LEU 24 Cb 0.85 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1r15 n LEU 24 CO 0.31 -1.64 -0.24 0.47 -1.33 0.00 0.00 177.39 174.95 1r15 n ASP 25 N -5.12 0.53 -0.04 -1.43 8.00 -1.26 -4.50 116.55 112.73 1r15 n ASP 25 Ca 0.31 0.11 -0.21 0.00 0.71 0.00 0.00 54.79 55.70 1r15 n ASP 25 Cb 1.03 1.02 -0.13 0.00 -0.02 0.00 0.00 41.12 43.03 1r15 n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1r15 n ILE 26 N -2.39 1.69 -4.34 0.53 -0.00 0.24 -4.98 119.36 110.10 1r15 n ILE 26 Ca -0.01 -0.55 -0.26 0.00 -0.00 0.00 0.00 62.75 61.93 1r15 n ILE 26 Cb 0.53 -1.72 -0.13 0.00 -0.00 0.00 0.00 39.64 38.33 1r15 n ILE 26 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1r15 s LEU 27 N -7.06 2.30 0.69 1.39 1.43 -0.13 -4.73 118.68 112.57 1r15 s LEU 27 Ca -0.26 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.00 1r15 s LEU 27 Cb 0.07 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.29 1r15 s LEU 27 CO 0.70 0.11 1.09 -2.84 0.23 0.00 0.00 176.35 175.65 1r15 s PRO 28 N -1.94 2.69 0.46 1.29 0.02 -1.26 -4.51 135.00 131.75 1r15 s PRO 28 Ca 0.09 1.26 -0.13 0.00 0.02 0.00 0.00 61.00 62.24 1r15 s PRO 28 Cb -0.10 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 1r15 s PRO 28 CO 0.05 -1.31 0.87 1.03 -0.33 0.00 0.00 177.00 177.31 1r15 s ARG 29 N -4.44 3.84 0.35 5.54 1.81 -1.26 -4.86 118.95 119.93 1r15 s ARG 29 Ca 0.64 0.68 -0.07 0.00 -1.72 0.00 0.00 55.73 55.27 1r15 s ARG 29 Cb -0.18 -2.27 -0.05 0.00 -0.45 0.00 0.00 34.95 32.00 1r15 s ARG 29 CO 0.47 -0.16 0.66 0.54 -0.68 0.00 0.00 175.30 176.12 1r15 s VAL 30 N -2.52 4.93 0.07 3.52 0.11 -1.26 -4.98 120.40 120.27 1r15 s VAL 30 Ca 0.55 0.25 -0.15 0.00 -2.93 0.00 0.00 61.98 59.69 1r15 s VAL 30 Cb -0.10 -3.75 -0.17 0.00 -1.53 0.00 0.00 36.38 30.83 1r15 s VAL 30 CO 0.33 -0.46 1.27 -0.09 -3.33 0.00 0.00 175.10 172.81 1r15 h ARG 31 N 1.32 0.66 -7.15 1.54 2.43 -1.93 -3.46 114.38 107.80 1r15 h ARG 31 Ca -0.48 -0.54 -0.50 0.00 -0.81 0.00 0.00 59.98 57.66 1r15 h ARG 31 Cb 1.19 0.11 0.07 0.00 -0.42 0.00 0.00 29.97 30.93 1r15 h ARG 31 CO 0.65 1.16 0.39 -1.12 -1.51 0.00 0.00 179.97 179.54 1r15 s SER 32 N -6.90 5.65 0.53 -3.80 0.01 -1.26 -5.04 113.70 102.89 1r15 s SER 32 Ca -0.12 1.98 -0.02 0.00 1.31 0.00 0.00 55.95 59.11 1r15 s SER 32 Cb 0.07 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.76 1r15 s SER 32 CO 0.87 -1.26 0.79 1.51 0.41 0.00 0.00 173.24 175.55 1r15 s ASP 33 N -2.34 5.56 0.23 2.44 1.47 -1.26 -4.88 116.67 117.89 1r15 s ASP 33 Ca 0.68 0.35 -0.06 0.00 1.18 0.00 0.00 52.55 54.70 1r15 s ASP 33 Cb -0.19 -1.40 0.37 0.00 -0.34 0.00 0.00 42.92 41.36 1r15 s ASP 33 CO 0.33 -0.98 1.77 0.00 0.68 0.00 0.00 175.17 176.98 1r15 h SER 35 N 0.59 0.85 -0.21 0.00 0.02 -1.98 0.24 113.55 113.07 1r15 h SER 35 Ca 0.37 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1r15 h SER 35 Cb 0.42 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1r15 h SER 35 CO -0.29 0.63 -0.08 0.00 -1.14 0.00 0.00 176.83 175.95 1r15 h ALA 36 N 1.52 0.29 -0.66 3.77 0.00 -1.63 -1.58 119.26 120.96 1r15 h ALA 36 Ca 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1r15 h ALA 36 Cb -0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1r15 h ALA 36 CO -0.06 0.11 0.35 -0.07 0.00 0.00 0.00 179.25 179.58 1r15 h LEU 37 N 0.13 0.82 -0.15 0.00 3.38 -0.43 -1.82 115.31 117.25 1r15 h LEU 37 Ca 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1r15 h LEU 37 Cb 0.56 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1r15 h LEU 37 CO 0.03 0.68 0.07 -0.25 0.09 0.00 0.00 178.44 179.05 1r15 h TRP 38 N 0.93 0.21 -0.40 1.13 2.91 -0.30 -1.11 115.95 119.32 1r15 h TRP 38 Ca 0.23 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.29 1r15 h TRP 38 Cb 0.05 -0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 28.59 1r15 h TRP 38 CO 0.01 0.26 0.14 0.87 -1.03 0.00 0.00 178.44 178.69 1r15 h LYS 39 N 0.10 0.29 -0.85 2.65 1.57 -0.69 0.40 116.57 120.04 1r15 h LYS 39 Ca 0.05 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1r15 h LYS 39 Cb 0.13 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1r15 h LYS 39 CO -0.01 0.19 0.56 -0.44 -0.57 0.00 0.00 179.45 179.19 1r15 h ASP 40 N 0.30 0.98 -0.08 0.86 3.32 -1.18 -1.18 116.42 119.44 1r15 h ASP 40 Ca 0.19 -0.03 -0.21 0.00 0.02 0.00 0.00 57.03 57.00 1r15 h ASP 40 Cb 0.17 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1r15 h ASP 40 CO -0.19 0.72 -0.72 0.15 -1.72 0.00 0.00 179.24 177.47 1r15 h PHE 41 N 1.16 0.95 -0.03 4.55 3.57 -0.26 -3.23 116.94 123.65 1r15 h PHE 41 Ca 0.31 -0.40 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1r15 h PHE 41 Cb -0.13 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.46 1r15 h PHE 41 CO 0.00 1.21 -0.06 0.35 -2.23 0.00 0.00 178.31 177.59 1r15 h PHE 42 N 0.50 0.12 -0.58 0.41 3.57 0.13 -3.18 116.94 117.91 1r15 h PHE 42 Ca -0.03 -0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.58 1r15 h PHE 42 Cb 1.33 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 1r15 h PHE 42 CO 0.07 0.63 0.41 1.57 -2.23 0.00 0.00 178.31 178.77 1r15 h LYS 43 N -0.43 0.09 -0.89 1.11 2.10 -1.34 0.62 116.57 117.82 1r15 h LYS 43 Ca 0.00 -0.01 0.12 0.00 -2.00 0.00 0.00 60.65 58.77 1r15 h LYS 43 Cb 0.62 -0.02 -0.07 0.00 -0.90 0.00 0.00 32.23 31.86 1r15 h LYS 43 CO 0.01 0.06 0.57 0.00 -2.00 0.00 0.00 179.45 178.10 1r15 h ALA 44 N 1.71 1.74 0.00 0.07 0.00 -1.57 -3.31 119.26 117.91 1r15 h ALA 44 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1r15 h ALA 44 Cb 0.98 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1r15 h ALA 44 CO -0.03 0.04 0.00 1.97 0.00 0.00 0.00 179.25 181.23 1r15 n PHE 45 N -4.55 0.00 -2.29 0.00 -1.74 -0.74 -4.82 117.46 103.32 1r15 n PHE 45 Ca 0.17 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.67 1r15 n PHE 45 Cb 0.40 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.38 1r15 n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1r15 s SER 46 N -0.50 6.57 -0.76 5.98 1.04 0.13 -3.43 113.70 122.73 1r15 s SER 46 Ca 0.00 2.37 0.00 0.00 0.48 0.00 0.00 55.95 58.80 1r15 s SER 46 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1r15 s SER 46 CO 0.00 -0.64 0.00 0.49 0.98 0.00 0.00 173.24 174.07 1r15 n PHE 47 N 0.17 0.00 -3.97 5.02 3.72 -0.10 -4.93 117.46 117.37 1r15 n PHE 47 Ca 0.04 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.20 1r15 n PHE 47 Cb 0.46 -2.28 -0.06 0.00 -0.94 0.00 0.00 39.48 36.66 1r15 n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1r15 s LYS 48 N -2.45 2.32 0.43 -1.08 1.02 -1.22 -4.41 119.74 114.34 1r15 s LYS 48 Ca 0.00 -1.74 -0.22 0.00 0.02 0.00 0.00 55.97 54.03 1r15 s LYS 48 Cb 0.00 -2.10 -0.10 0.00 -0.52 0.00 0.00 37.83 35.11 1r15 s LYS 48 CO 0.00 -0.13 0.97 -0.80 -0.92 0.00 0.00 175.35 174.47 1r15 s ASN 49 N -3.96 6.88 0.36 2.83 0.01 -1.26 -1.92 114.94 117.88 1r15 s ASN 49 Ca 0.43 1.75 0.18 0.00 -0.71 0.00 0.00 52.86 54.52 1r15 s ASN 49 Cb 0.02 -2.55 1.20 0.00 0.41 0.00 0.00 41.25 40.32 1r15 s ASN 49 CO 0.24 -0.40 1.65 1.55 -1.51 0.00 0.00 177.10 178.63 1r15 h PRO 50 N 2.01 0.22 -0.57 -0.60 0.13 -1.86 0.33 132.00 131.66 1r15 h PRO 50 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1r15 h PRO 50 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1r15 h PRO 50 CO 0.61 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 1r15 n ASP 52 N 0.63 7.18 -3.95 0.00 -0.08 0.12 -4.74 116.55 115.71 1r15 n ASP 52 Ca 0.16 -3.42 -0.09 0.00 -1.51 0.00 0.00 54.79 49.93 1r15 n ASP 52 Cb 0.56 -1.28 -0.08 0.00 2.34 0.00 0.00 41.12 42.67 1r15 n ASP 52 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1r15 s LEU 53 N -2.98 1.46 0.27 -2.67 1.43 -1.26 -4.77 118.68 110.16 1r15 s LEU 53 Ca 0.42 -0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1r15 s LEU 53 Cb 0.15 0.89 -0.01 0.00 0.03 0.00 0.00 46.19 47.25 1r15 s LEU 53 CO -0.06 -0.76 0.40 1.51 0.23 0.00 0.00 176.35 177.66 1r15 s ASP 54 N -2.92 0.27 0.62 2.29 -4.77 -1.23 -2.56 116.67 108.37 1r15 s ASP 54 Ca 0.11 -1.20 0.23 0.00 -3.30 0.00 0.00 52.55 48.39 1r15 s ASP 54 Cb 0.05 0.56 1.08 0.00 -1.09 0.00 0.00 42.92 43.52 1r15 s ASP 54 CO -0.06 -1.12 1.56 -0.07 0.70 0.00 0.00 175.17 176.18 1r15 h LEU 55 N 2.29 0.00 0.00 2.11 -0.00 -1.82 0.14 115.31 118.04 1r15 h LEU 55 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1r15 h LEU 55 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1r15 h LEU 55 CO 0.40 0.00 -0.86 1.23 -0.00 0.00 0.00 178.44 179.21 1r15 h GLY 56 N 0.00 0.00 -0.52 0.83 0.00 -1.92 -3.40 103.07 98.06 1r15 h GLY 56 Ca 0.22 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.80 1r15 h GLY 56 CO -0.00 0.00 0.26 1.76 0.00 0.00 0.00 176.54 178.56 1r15 h SER 57 N 0.00 0.02 -0.52 0.19 0.02 -1.05 0.21 113.55 112.43 1r15 h SER 57 Ca 0.00 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1r15 h SER 57 Cb 0.99 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1r15 h SER 57 CO 0.00 -0.18 0.00 -1.22 -1.14 0.00 0.00 176.83 174.29 1r15 n TYR 58 N -5.23 1.82 -0.11 3.45 4.01 -1.26 -4.36 117.16 115.48 1r15 n TYR 58 Ca 0.23 -0.75 -0.06 0.00 -0.16 0.00 0.00 57.90 57.16 1r15 n TYR 58 Cb 0.74 -0.45 0.02 0.00 -0.31 0.00 0.00 39.34 39.33 1r15 n TYR 58 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1r15 h LYS 59 N 3.57 0.27 -0.31 -0.72 3.64 -0.79 0.04 116.57 122.29 1r15 h LYS 59 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1r15 h LYS 59 Cb 1.84 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 1r15 h LYS 59 CO 0.42 0.18 0.14 -0.44 -2.27 0.00 0.00 179.45 177.48 1r15 h ASP 60 N 0.28 0.41 0.24 4.20 3.32 -1.81 -0.85 116.42 122.22 1r15 h ASP 60 Ca 0.16 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1r15 h ASP 60 Cb 0.13 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1r15 h ASP 60 CO -0.16 0.43 -0.40 0.15 -1.72 0.00 0.00 179.24 177.54 1r15 h PHE 61 N 0.36 -1.10 -0.04 4.55 3.57 -1.63 -1.78 116.94 120.87 1r15 h PHE 61 Ca 0.11 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1r15 h PHE 61 Cb 0.14 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 1r15 h PHE 61 CO -0.01 -0.52 0.04 0.74 -2.23 0.00 0.00 178.31 176.32 1r15 h PHE 62 N -0.71 0.00 -0.26 0.41 0.04 -0.81 0.35 116.94 115.96 1r15 h PHE 62 Ca -0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1r15 h PHE 62 Cb 0.69 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.83 1r15 h PHE 62 CO -0.29 0.00 -0.24 1.15 -0.60 0.00 0.00 178.31 178.32 1r15 h THR 63 N 0.00 1.31 -0.01 -1.55 2.02 -0.51 -0.92 112.91 113.26 1r15 h THR 63 Ca 0.02 -1.40 -0.13 0.00 0.77 0.00 0.00 66.41 65.67 1r15 h THR 63 Cb 0.09 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1r15 h THR 63 CO -0.00 0.44 -0.61 0.28 0.37 0.00 0.00 175.52 176.00 1r15 h SER 64 N 0.35 0.03 0.11 4.18 0.02 -0.38 -3.22 113.55 114.64 1r15 h SER 64 Ca 0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1r15 h SER 64 Cb 0.80 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1r15 h SER 64 CO 0.06 0.63 -0.29 0.00 -1.14 0.00 0.00 176.83 176.09 1r15 n ALA 65 N -2.43 3.15 -2.41 3.77 0.00 -0.02 -4.53 120.51 118.05 1r15 n ALA 65 Ca -0.01 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 1r15 n ALA 65 Cb 0.61 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1r15 n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1r15 s GLN 66 N -2.41 4.32 0.58 0.00 2.00 -0.36 -4.49 119.66 119.30 1r15 s GLN 66 Ca 0.24 1.73 0.04 0.00 -2.00 0.00 0.00 55.36 55.36 1r15 s GLN 66 Cb 0.19 -3.60 0.07 0.00 0.80 0.00 0.00 33.01 30.47 1r15 s GLN 66 CO 0.51 -0.52 0.81 -0.65 -0.50 0.00 0.00 175.29 174.94 1r15 s GLN 67 N 2.47 2.29 -0.44 1.67 -0.21 -1.26 -4.97 119.66 119.21 1r15 s GLN 67 Ca 0.57 -1.15 -0.16 0.00 0.02 0.00 0.00 55.36 54.64 1r15 s GLN 67 Cb -0.25 -2.53 0.04 0.00 1.00 0.00 0.00 33.01 31.27 1r15 s GLN 67 CO 0.22 -0.88 0.41 -1.14 -2.12 0.00 0.00 175.29 171.78 1r15 s GLN 68 N -4.78 3.04 0.60 2.91 0.74 -1.26 -4.99 119.66 115.92 1r15 s GLN 68 Ca 0.61 -0.97 -0.16 0.00 0.05 0.00 0.00 55.36 54.89 1r15 s GLN 68 Cb -0.08 -4.02 -0.03 0.00 1.10 0.00 0.00 33.01 29.98 1r15 s GLN 68 CO 0.39 -0.90 1.08 -0.51 -0.55 0.00 0.00 175.29 174.80 1r15 s LEU 69 N 1.97 3.51 0.34 3.68 1.02 -1.26 -4.53 118.68 123.41 1r15 s LEU 69 Ca 0.09 1.90 -0.27 0.00 0.02 0.00 0.00 54.13 55.87 1r15 s LEU 69 Cb -0.19 -4.54 -0.09 0.00 0.02 0.00 0.00 46.19 41.38 1r15 s LEU 69 CO 0.11 -1.27 1.14 -2.16 0.02 0.00 0.00 176.35 174.18 1r15 s PRO 70 N -3.96 4.36 0.22 1.29 0.04 -1.26 -4.83 135.00 130.86 1r15 s PRO 70 Ca 0.65 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 63.21 1r15 s PRO 70 Cb -0.18 -2.92 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 1r15 s PRO 70 CO 0.36 -0.05 1.55 0.21 0.04 0.00 0.00 177.00 179.11 1r15 s LYS 71 N -1.90 4.21 0.00 4.56 2.20 -1.26 -2.72 119.74 124.82 1r15 s LYS 71 Ca 0.51 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.52 1r15 s LYS 71 Cb -0.31 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1r15 s LYS 71 CO 0.40 -0.56 0.00 0.09 -0.36 0.00 0.00 175.35 174.91 1r15 n ASN 72 N 3.15 -0.96 -0.21 1.43 3.02 -0.04 -4.87 115.26 116.79 1r15 n ASN 72 Ca 0.11 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.73 1r15 n ASN 72 Cb 0.39 -1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 38.46 1r15 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1r15 n LYS 73 N -1.89 2.04 -2.18 3.52 5.02 -1.10 -4.62 118.16 118.95 1r15 n LYS 73 Ca 0.00 -0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 55.39 1r15 n LYS 73 Cb 0.04 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 1r15 n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r15 s VAL 74 N -1.95 3.18 0.01 -0.18 1.01 -1.26 -1.57 120.40 119.65 1r15 s VAL 74 Ca 0.09 0.93 0.07 0.00 0.00 0.00 0.00 61.98 63.08 1r15 s VAL 74 Cb 0.11 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1r15 s VAL 74 CO 0.43 0.12 -0.22 -0.32 0.00 0.00 0.00 175.10 175.11 1r15 s MET 75 N 0.29 1.68 0.18 2.72 0.00 -0.45 -1.17 119.30 122.55 1r15 s MET 75 Ca 0.60 -0.87 0.11 0.00 0.00 0.00 0.00 55.69 55.52 1r15 s MET 75 Cb -0.37 -1.70 -0.04 0.00 0.00 0.00 0.00 34.83 32.72 1r15 s MET 75 CO 0.36 0.45 -0.23 -0.06 0.00 0.00 0.00 175.02 175.54 1r15 s PHE 76 N -0.63 2.18 0.15 4.11 0.08 0.18 -4.42 117.98 119.64 1r15 s PHE 76 Ca 0.09 -0.38 -0.08 0.00 0.12 0.00 0.00 56.93 56.67 1r15 s PHE 76 Cb -0.09 -1.09 -0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1r15 s PHE 76 CO 0.00 0.45 0.25 1.67 -0.10 0.00 0.00 175.22 177.49 1r15 s TRP 77 N -1.70 0.43 -0.08 0.36 1.48 -1.26 -0.82 118.94 117.34 1r15 s TRP 77 Ca 0.19 -0.80 -0.03 0.00 -1.06 0.00 0.00 56.10 54.40 1r15 s TRP 77 Cb -0.08 -0.10 0.04 0.00 -1.16 0.00 0.00 33.47 32.17 1r15 s TRP 77 CO 0.09 -0.68 0.16 -1.12 -4.06 0.00 0.00 176.95 171.34 1r15 s SER 78 N -2.97 0.35 -1.15 -2.66 0.01 -0.39 -4.82 113.70 102.07 1r15 s SER 78 Ca 0.17 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1r15 s SER 78 Cb 0.04 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1r15 s SER 78 CO -0.01 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1r15 n GLY 79 N 4.84 -0.42 2.75 3.44 0.00 -1.26 -3.39 105.19 111.15 1r15 n GLY 79 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 1r15 n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r15 n VAL 80 N -3.39 0.72 -0.25 1.61 0.24 -1.26 -4.70 118.33 111.29 1r15 n VAL 80 Ca -0.16 -2.20 -0.13 0.00 -2.04 0.00 0.00 64.34 59.82 1r15 n VAL 80 Cb 0.61 1.10 -0.10 0.00 -1.47 0.00 0.00 33.84 33.99 1r15 n VAL 80 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1r15 h TYR 81 N 2.10 -1.77 -0.10 6.34 5.03 -1.96 0.28 116.97 126.89 1r15 h TYR 81 Ca -0.25 0.10 0.02 0.00 2.58 0.00 0.00 58.73 61.19 1r15 h TYR 81 Cb 1.27 0.86 -0.02 0.00 1.55 0.00 0.00 36.73 40.39 1r15 h TYR 81 CO 0.29 -0.44 -0.02 -0.44 -1.32 0.00 0.00 178.16 176.23 1r15 h ASP 82 N -0.24 -0.08 -0.60 -2.11 3.32 -1.99 -0.63 116.42 114.09 1r15 h ASP 82 Ca 0.11 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1r15 h ASP 82 Cb 0.52 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1r15 h ASP 82 CO -0.74 -0.02 0.24 -0.33 -1.72 0.00 0.00 179.24 176.67 1r15 h GLU 83 N 0.01 0.90 -0.23 3.56 3.07 -1.79 -0.71 114.58 119.39 1r15 h GLU 83 Ca 0.05 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1r15 h GLU 83 Cb 0.07 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1r15 h GLU 83 CO -0.10 0.77 0.12 0.00 -1.40 0.00 0.00 179.01 178.41 1r15 h ALA 84 N 1.09 0.30 -0.23 3.43 0.00 -0.22 -2.01 119.26 121.61 1r15 h ALA 84 Ca 0.20 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1r15 h ALA 84 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1r15 h ALA 84 CO -0.02 -0.17 -0.33 0.45 0.00 0.00 0.00 179.25 179.18 1r15 h HIS 85 N 0.26 0.55 -0.46 0.00 3.86 -0.91 0.32 115.15 118.77 1r15 h HIS 85 Ca 0.08 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1r15 h HIS 85 Cb 0.07 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1r15 h HIS 85 CO -0.03 0.75 0.16 -0.44 0.86 0.00 0.00 177.93 179.23 1r15 h ASP 86 N 0.41 0.65 -0.29 2.45 3.32 -0.99 -0.20 116.42 121.77 1r15 h ASP 86 Ca 0.05 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1r15 h ASP 86 Cb 0.78 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1r15 h ASP 86 CO 0.06 0.66 0.04 0.22 -1.72 0.00 0.00 179.24 178.51 1r15 h TYR 87 N 0.60 0.52 -0.19 4.55 3.20 -1.13 -2.14 116.97 122.38 1r15 h TYR 87 Ca 0.15 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1r15 h TYR 87 Cb 0.23 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1r15 h TYR 87 CO 0.01 0.58 0.15 0.00 -1.64 0.00 0.00 178.16 177.26 1r15 h ALA 88 N 0.87 2.05 -6.00 1.82 0.00 -0.71 -3.43 119.26 113.87 1r15 h ALA 88 Ca 0.09 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.59 1r15 h ALA 88 Cb 0.35 0.01 0.08 0.00 0.00 0.00 0.00 17.79 18.23 1r15 h ALA 88 CO 0.01 -0.24 -0.83 -1.71 0.00 0.00 0.00 179.25 176.47 1r15 n ASN 89 N -4.27 -1.72 -3.63 0.00 4.05 -0.11 -1.44 115.26 108.15 1r15 n ASN 89 Ca 0.01 -0.80 -0.28 0.00 0.45 0.00 0.00 54.58 53.97 1r15 n ASN 89 Cb 0.28 -4.23 0.04 0.00 1.23 0.00 0.00 39.78 37.10 1r15 n ASN 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1r15 n THR 90 N -4.20 -6.15 -0.08 -0.44 -1.04 -1.26 -1.94 114.28 99.17 1r15 n THR 90 Ca -0.28 -0.97 0.00 0.00 -2.04 0.00 0.00 64.05 60.76 1r15 n THR 90 Cb 0.67 -4.57 0.00 0.00 -1.82 0.00 0.00 70.33 64.61 1r15 n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r15 n GLY 91 N -1.61 1.91 0.18 3.41 0.00 -1.13 -4.84 105.19 103.10 1r15 n GLY 91 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1r15 n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1r15 h ARG 92 N 1.43 0.54 0.00 1.61 3.08 -1.31 -3.38 114.38 116.35 1r15 h ARG 92 Ca 0.00 -0.24 -0.44 0.00 0.07 0.00 0.00 59.98 59.37 1r15 h ARG 92 Cb 0.00 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 1r15 h ARG 92 CO 0.00 0.79 -2.43 1.17 -1.07 0.00 0.00 179.97 178.44 1r15 n LYS 93 N -4.47 0.59 -3.98 0.04 4.81 -0.52 -5.02 118.16 109.62 1r15 n LYS 93 Ca -0.04 0.29 -0.09 0.00 -0.87 0.00 0.00 58.31 57.60 1r15 n LYS 93 Cb 0.35 -1.52 -0.10 0.00 0.02 0.00 0.00 35.03 33.79 1r15 n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1r15 s TYR 94 N -2.50 0.30 0.17 5.64 2.02 -1.05 -4.91 117.35 117.02 1r15 s TYR 94 Ca -0.38 -0.68 0.05 0.00 -0.37 0.00 0.00 57.07 55.69 1r15 s TYR 94 Cb 0.14 -0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.45 1r15 s TYR 94 CO 0.50 -0.36 0.16 0.96 -1.57 0.00 0.00 175.55 175.25 1r15 s ILE 95 N -2.92 4.59 0.35 2.71 -4.36 -0.61 -2.82 121.20 118.14 1r15 s ILE 95 Ca -0.02 -1.06 0.04 0.00 -0.26 0.00 0.00 60.65 59.35 1r15 s ILE 95 Cb 0.01 -3.36 -0.06 0.00 1.25 0.00 0.00 42.46 40.30 1r15 s ILE 95 CO -0.06 -0.13 0.05 0.42 0.24 0.00 0.00 174.94 175.46 1r15 s THR 96 N -1.78 1.32 0.25 8.37 -4.23 -1.26 -1.34 115.64 116.97 1r15 s THR 96 Ca 0.31 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.80 1r15 s THR 96 Cb -0.10 -2.80 0.22 0.00 1.34 0.00 0.00 72.50 71.17 1r15 s THR 96 CO 0.24 0.00 1.77 0.25 -0.54 0.00 0.00 174.62 176.34 1r15 h LEU 97 N 2.01 0.53 -2.91 4.79 5.85 -1.97 0.81 115.31 124.42 1r15 h LEU 97 Ca -0.41 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1r15 h LEU 97 Cb 1.25 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1r15 h LEU 97 CO 0.71 0.26 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.74 1r15 h GLU 98 N 0.64 0.00 0.00 1.25 3.07 -1.95 0.27 114.58 117.87 1r15 h GLU 98 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1r15 h GLU 98 Cb 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1r15 h GLU 98 CO -0.33 0.00 -0.37 -0.25 -1.40 0.00 0.00 179.01 176.67 1r15 n ASP 99 N -3.08 0.53 -4.91 1.42 8.00 0.27 -2.83 116.55 115.94 1r15 n ASP 99 Ca -0.03 0.17 -0.27 0.00 0.71 0.00 0.00 54.79 55.37 1r15 n ASP 99 Cb 0.08 -0.10 0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1r15 n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1r15 s THR 100 N -3.08 4.64 0.13 -3.53 -4.23 0.96 -4.83 115.64 105.71 1r15 s THR 100 Ca 0.10 0.12 -0.29 0.00 -1.18 0.00 0.00 61.69 60.43 1r15 s THR 100 Cb 0.15 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 1r15 s THR 100 CO 0.66 -0.75 1.58 0.25 -0.54 0.00 0.00 174.62 175.81 1r15 h LEU 101 N 0.17 -1.40 -0.82 4.79 5.85 -1.84 0.33 115.31 122.39 1r15 h LEU 101 Ca -0.47 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1r15 h LEU 101 Cb 1.22 0.58 -0.05 0.00 0.37 0.00 0.00 40.66 42.77 1r15 h LEU 101 CO 0.61 -0.42 0.52 -0.65 -0.34 0.00 0.00 178.44 178.16 1r15 h PRO 102 N -0.46 0.96 -0.24 5.25 0.11 -1.88 -0.06 132.00 135.69 1r15 h PRO 102 Ca 0.09 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 1r15 h PRO 102 Cb 0.62 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1r15 h PRO 102 CO -0.45 0.63 -0.13 0.78 -0.21 0.00 0.00 178.00 178.63 1r15 h GLY 103 N 0.99 0.55 0.98 -0.55 0.00 -1.48 -2.05 103.07 101.51 1r15 h GLY 103 Ca 0.34 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1r15 h GLY 103 CO -0.14 0.46 0.29 -1.82 0.00 0.00 0.00 176.54 175.33 1r15 h TYR 104 N 0.22 0.74 0.20 5.60 3.20 -0.16 0.20 116.97 126.97 1r15 h TYR 104 Ca 0.05 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1r15 h TYR 104 Cb 0.64 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1r15 h TYR 104 CO 0.06 0.54 -0.10 0.52 -1.64 0.00 0.00 178.16 177.55 1r15 h MET 105 N 0.72 -0.26 -0.04 1.82 2.86 -0.91 -3.23 114.93 115.89 1r15 h MET 105 Ca 0.19 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1r15 h MET 105 Cb 0.05 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1r15 h MET 105 CO -0.03 -0.05 0.00 1.28 1.06 0.00 0.00 176.91 179.17 1r15 n LEU 106 N -5.13 1.73 -4.67 1.22 7.99 -0.78 -4.84 117.00 112.51 1r15 n LEU 106 Ca -0.09 -0.60 -0.50 0.00 -0.01 0.00 0.00 56.01 54.81 1r15 n LEU 106 Cb 0.18 -0.02 -0.05 0.00 -0.11 0.00 0.00 43.42 43.43 1r15 n LEU 106 CO 0.33 0.30 1.32 -3.20 -1.51 0.00 0.00 177.39 174.63 1r15 n ASN 107 N 0.35 2.94 0.00 -1.43 5.15 0.71 -0.77 115.26 122.20 1r15 n ASN 107 Ca 0.18 1.04 0.00 0.00 -0.60 0.00 0.00 54.58 55.20 1r15 n ASN 107 Cb 0.39 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 1r15 n ASN 107 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1r15 n SER 108 N 5.13 0.00 -4.82 1.20 7.64 -1.26 -4.99 113.62 116.52 1r15 n SER 108 Ca 0.22 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.77 1r15 n SER 108 Cb 0.25 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 62.66 1r15 n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1r15 s LEU 109 N 0.00 3.79 -0.11 -3.43 1.43 0.05 -5.00 118.68 115.40 1r15 s LEU 109 Ca 0.00 1.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.83 1r15 s LEU 109 Cb 0.00 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.70 1r15 s LEU 109 CO 0.00 -0.58 -0.20 -0.69 0.23 0.00 0.00 176.35 175.12 1r15 s VAL 110 N -2.31 1.80 0.16 -1.59 1.01 -1.26 -4.97 120.40 113.24 1r15 s VAL 110 Ca 0.62 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 1r15 s VAL 110 Cb -0.11 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.74 1r15 s VAL 110 CO 0.22 0.50 0.59 -1.66 0.00 0.00 0.00 175.10 174.75 1r15 s TRP 111 N 0.69 -0.51 -0.07 5.22 -2.14 -1.26 -0.12 118.94 120.75 1r15 s TRP 111 Ca -0.12 0.29 -0.30 0.00 2.66 0.00 0.00 56.10 58.64 1r15 s TRP 111 Cb -0.16 0.54 0.11 0.00 -3.10 0.00 0.00 33.47 30.86 1r15 s TRP 111 CO 0.02 -0.84 0.92 0.00 -2.66 0.00 0.00 176.95 174.40 1r15 s GLY 113 N -1.87 1.73 0.05 0.00 0.00 -1.25 -1.37 107.32 104.61 1r15 s GLY 113 Ca 0.02 -1.12 -0.15 0.00 0.00 0.00 0.00 44.72 43.46 1r15 s GLY 113 CO -0.04 -0.68 0.34 -0.86 0.00 0.00 0.00 173.10 171.87 1r15 s GLN 114 N -5.22 0.87 0.08 2.90 -2.07 -0.81 -2.70 119.66 112.71 1r15 s GLN 114 Ca 0.62 -0.50 0.04 0.00 -1.82 0.00 0.00 55.36 53.70 1r15 s GLN 114 Cb -0.09 0.38 -0.24 0.00 -1.09 0.00 0.00 33.01 31.97 1r15 s GLN 114 CO 0.44 -0.29 1.14 0.00 -1.32 0.00 0.00 175.29 175.27 1r15 h ARG 115 N 3.06 0.09 -7.03 9.60 3.08 -1.76 -2.70 114.38 118.72 1r15 h ARG 115 Ca -0.32 -0.16 -0.49 0.00 0.07 0.00 0.00 59.98 59.08 1r15 h ARG 115 Cb 1.21 0.06 0.05 0.00 0.08 0.00 0.00 29.97 31.37 1r15 h ARG 115 CO 0.46 1.02 0.44 0.00 -1.07 0.00 0.00 179.97 180.81 1r15 s ALA 116 N -2.68 2.89 0.55 0.04 0.00 -1.26 -4.70 121.76 116.60 1r15 s ALA 116 Ca -0.02 0.80 -0.21 0.00 0.00 0.00 0.00 51.96 52.53 1r15 s ALA 116 Cb 0.09 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 1r15 s ALA 116 CO 0.84 -0.55 1.08 0.09 0.00 0.00 0.00 175.76 177.23 1r15 n ASN 117 N -0.75 1.39 0.00 0.00 3.02 -1.26 -1.00 115.26 116.66 1r15 n ASN 117 Ca 0.09 0.90 0.11 0.00 -0.03 0.00 0.00 54.58 55.65 1r15 n ASN 117 Cb 0.50 -1.43 0.64 0.00 -0.61 0.00 0.00 39.78 38.88 1r15 n ASN 117 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1r15 n PRO 118 N -0.77 0.57 0.00 3.52 -0.04 -1.26 -4.90 135.00 132.12 1r15 n PRO 118 Ca 0.12 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1r15 n PRO 118 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1r15 n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r15 n GLY 119 N 0.50 0.77 3.25 0.55 0.00 -0.17 -4.84 105.19 105.26 1r15 n GLY 119 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1r15 n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r15 s PHE 120 N -2.00 -0.15 -0.02 1.61 -0.71 -1.26 -0.92 117.98 114.53 1r15 s PHE 120 Ca 0.00 0.14 -0.22 0.00 -1.04 0.00 0.00 56.93 55.81 1r15 s PHE 120 Cb 0.00 0.10 -0.05 0.00 -1.21 0.00 0.00 43.02 41.86 1r15 s PHE 120 CO 0.00 -0.44 0.65 1.21 -1.34 0.00 0.00 175.22 175.30 1r15 s ASN 121 N -1.64 7.01 0.00 1.98 3.84 -0.47 -4.68 114.94 120.97 1r15 s ASN 121 Ca -0.10 1.20 0.07 0.00 0.21 0.00 0.00 52.86 54.24 1r15 s ASN 121 Cb -0.03 -2.39 0.05 0.00 -0.55 0.00 0.00 41.25 38.33 1r15 s ASN 121 CO 0.01 0.02 0.71 -0.62 -2.79 0.00 0.00 177.10 174.43 1r15 n GLU 122 N 3.08 -0.06 -0.13 0.43 1.02 -1.26 -4.56 120.64 119.17 1r15 n GLU 122 Ca -0.04 -0.90 -0.24 0.00 -0.02 0.00 0.00 57.16 55.95 1r15 n GLU 122 Cb 0.51 -1.13 -0.10 0.00 -0.02 0.00 0.00 31.44 30.70 1r15 n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r15 n LYS 123 N 0.36 0.57 -3.62 3.49 5.02 -1.26 -4.74 118.16 117.99 1r15 n LYS 123 Ca 0.04 0.21 -0.14 0.00 -2.02 0.00 0.00 58.31 56.40 1r15 n LYS 123 Cb 0.17 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 1r15 n LYS 123 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1r15 s VAL 124 N -2.48 0.04 0.05 -0.18 0.11 -1.26 -4.48 120.40 112.20 1r15 s VAL 124 Ca -0.35 -0.33 0.07 0.00 -2.93 0.00 0.00 61.98 58.45 1r15 s VAL 124 Cb 0.12 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1r15 s VAL 124 CO 0.50 -0.18 -0.21 0.00 -3.33 0.00 0.00 175.10 171.88 1r15 s PRO 126 N -1.30 1.52 0.40 0.00 0.04 -1.26 -3.21 135.00 131.18 1r15 s PRO 126 Ca 0.07 1.62 -0.24 0.00 0.04 0.00 0.00 61.00 62.50 1r15 s PRO 126 Cb -0.09 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1r15 s PRO 126 CO 0.02 -2.28 1.01 0.34 0.04 0.00 0.00 177.00 176.14 1r15 s ASP 127 N -2.45 6.87 0.00 6.66 -1.08 -1.26 -4.75 116.67 120.67 1r15 s ASP 127 Ca 0.70 1.93 0.00 0.00 -0.52 0.00 0.00 52.55 54.65 1r15 s ASP 127 Cb -0.25 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.63 1r15 s ASP 127 CO 0.53 -0.41 0.43 0.33 0.52 0.00 0.00 175.17 176.57 1r15 n PHE 128 N -0.11 0.00 0.23 -5.34 7.35 -1.26 -0.52 117.46 117.80 1r15 n PHE 128 Ca 0.05 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.85 1r15 n PHE 128 Cb 0.51 -0.14 0.39 0.00 0.35 0.00 0.00 39.48 40.59 1r15 n PHE 128 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1r15 h LYS 129 N 0.00 0.00 -0.17 -4.13 6.56 -2.00 -2.27 116.57 114.57 1r15 h LYS 129 Ca 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 1r15 h LYS 129 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1r15 h LYS 129 CO 0.00 0.00 -0.43 1.15 -2.06 0.00 0.00 179.45 178.11 1r15 h THR 130 N 0.00 1.31 -2.98 -0.16 2.02 -1.18 -3.45 112.91 108.47 1r15 h THR 130 Ca 0.09 -1.59 -0.51 0.00 0.77 0.00 0.00 66.41 65.17 1r15 h THR 130 Cb 1.65 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 1r15 h THR 130 CO -0.00 0.49 -0.22 0.00 0.37 0.00 0.00 175.52 176.15 1r15 s PRO 132 N -3.64 2.49 0.18 0.00 0.04 -1.26 -4.65 135.00 128.15 1r15 s PRO 132 Ca 0.41 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 63.03 1r15 s PRO 132 Cb -0.11 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 32.73 1r15 s PRO 132 CO 0.31 -1.56 1.69 -0.39 0.04 0.00 0.00 177.00 177.09 1r15 h VAL 133 N 0.10 0.65 -0.26 -0.36 -1.51 -1.96 0.28 116.25 113.18 1r15 h VAL 133 Ca -0.48 -0.05 0.08 0.00 -1.23 0.00 0.00 66.70 65.02 1r15 h VAL 133 Cb 1.29 0.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.94 1r15 h VAL 133 CO 0.52 0.03 0.34 0.06 -1.23 0.00 0.00 177.57 177.29 1r15 h GLN 134 N 0.14 0.00 0.02 5.19 -0.00 -1.91 0.41 115.11 118.97 1r15 h GLN 134 Ca 0.24 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.61 1r15 h GLN 134 Cb 0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.80 1r15 h GLN 134 CO -0.38 0.00 -1.52 0.00 -0.00 0.00 0.00 178.83 176.92 1r15 n ALA 135 N -2.25 0.84 -0.34 0.06 0.00 -0.64 -2.78 120.51 115.41 1r15 n ALA 135 Ca 0.04 -0.56 0.08 0.00 0.00 0.00 0.00 53.44 53.00 1r15 n ALA 135 Cb 0.48 -0.53 0.25 0.00 0.00 0.00 0.00 19.45 19.65 1r15 n ALA 135 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1r15 h ARG 136 N -0.78 0.83 -0.36 0.00 2.43 0.07 -1.69 114.38 114.88 1r15 h ARG 136 Ca -0.40 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1r15 h ARG 136 Cb 1.48 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1r15 h ARG 136 CO -0.17 0.55 0.00 0.39 -1.51 0.00 0.00 179.97 179.23 1r15 n GLU 137 N -4.71 3.04 -0.23 0.20 1.02 0.13 -4.68 120.64 115.40 1r15 n GLU 137 Ca 0.19 -2.50 0.02 0.00 -0.02 0.00 0.00 57.16 54.85 1r15 n GLU 137 Cb 0.42 -1.60 0.14 0.00 -0.02 0.00 0.00 31.44 30.38 1r15 n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1r15 h SER 138 N 2.24 0.29 0.00 1.62 0.87 -1.12 0.28 113.55 117.73 1r15 h SER 138 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1r15 h SER 138 Cb 1.13 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1r15 h SER 138 CO 0.13 0.15 -0.08 0.15 -0.53 0.00 0.00 176.83 176.65 1r15 h PHE 139 N 0.46 0.00 0.00 2.24 3.57 -1.83 -3.04 116.94 118.34 1r15 h PHE 139 Ca 0.35 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 1r15 h PHE 139 Cb 0.45 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1r15 h PHE 139 CO -0.16 0.00 -0.17 -1.49 -2.23 0.00 0.00 178.31 174.27 1r15 h TRP 140 N -0.75 0.00 0.13 0.41 4.06 -1.89 0.21 115.95 118.12 1r15 h TRP 140 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1r15 h TRP 140 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1r15 h TRP 140 CO -0.03 0.17 -0.06 0.78 -3.56 0.00 0.00 178.44 175.73 1r15 h GLY 141 N 0.90 -0.18 0.91 1.49 0.00 -0.61 0.10 103.07 105.68 1r15 h GLY 141 Ca -0.00 0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1r15 h GLY 141 CO 0.02 -0.06 0.19 1.98 0.00 0.00 0.00 176.54 178.67 1r15 h MET 142 N -0.54 0.38 -0.33 4.80 1.85 -1.32 0.02 114.93 119.80 1r15 h MET 142 Ca -0.02 -0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.12 1r15 h MET 142 Cb 0.42 -0.09 -0.07 0.00 0.43 0.00 0.00 31.60 32.29 1r15 h MET 142 CO 0.03 0.25 -0.16 0.00 -0.40 0.00 0.00 176.91 176.63 1r15 h ALA 143 N 1.16 0.10 -0.96 0.39 0.00 -0.54 0.42 119.26 119.82 1r15 h ALA 143 Ca 0.14 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1r15 h ALA 143 Cb 0.01 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1r15 h ALA 143 CO -0.07 -0.54 0.64 0.77 0.00 0.00 0.00 179.25 180.05 1r15 h SER 144 N -0.11 1.10 0.61 0.00 0.02 -0.27 0.24 113.55 115.15 1r15 h SER 144 Ca 0.17 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1r15 h SER 144 Cb 0.36 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.63 1r15 h SER 144 CO -0.40 0.80 -0.29 0.28 -1.14 0.00 0.00 176.83 176.08 1r15 h SER 145 N 1.30 -0.69 -0.63 3.07 0.02 0.65 0.15 113.55 117.42 1r15 h SER 145 Ca 0.35 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.39 1r15 h SER 145 Cb -0.15 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.49 1r15 h SER 145 CO -0.08 -0.42 0.23 -1.28 -1.14 0.00 0.00 176.83 174.14 1r15 h SER 146 N -0.93 0.22 0.65 3.07 0.87 -0.04 0.58 113.55 117.97 1r15 h SER 146 Ca -0.08 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1r15 h SER 146 Cb 0.66 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1r15 h SER 146 CO 0.14 0.13 -0.46 0.22 -0.53 0.00 0.00 176.83 176.33 1r15 h TYR 147 N 0.41 -1.23 -0.80 2.24 3.20 -0.76 -2.64 116.97 117.38 1r15 h TYR 147 Ca 0.32 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.30 1r15 h TYR 147 Cb 0.41 0.45 -0.08 0.00 1.54 0.00 0.00 36.73 39.05 1r15 h TYR 147 CO -0.17 -0.66 0.42 0.00 -1.64 0.00 0.00 178.16 176.10 1r15 h ALA 148 N -0.88 1.15 -0.48 1.82 0.00 -0.57 0.35 119.26 120.64 1r15 h ALA 148 Ca -0.08 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1r15 h ALA 148 Cb 0.88 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1r15 h ALA 148 CO 0.04 -0.02 0.34 1.25 0.00 0.00 0.00 179.25 180.87 1r15 h HIS 149 N 0.67 0.04 -0.01 0.00 -0.00 -0.65 -1.04 115.15 114.16 1r15 h HIS 149 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.78 1r15 h HIS 149 Cb 0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1r15 h HIS 149 CO -0.09 0.02 -0.04 0.43 -0.00 0.00 0.00 177.93 178.25 1r15 n SER 150 N -4.41 0.90 -4.76 3.26 7.64 0.11 -4.48 113.62 111.87 1r15 n SER 150 Ca 0.08 -1.17 -0.31 0.00 1.01 0.00 0.00 58.87 58.49 1r15 n SER 150 Cb 0.53 -0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.82 1r15 n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r15 s ALA 151 N -2.12 2.19 -0.06 -0.43 0.00 -0.40 -4.31 121.76 116.63 1r15 s ALA 151 Ca 0.38 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 1r15 s ALA 151 Cb 0.21 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 20.08 1r15 s ALA 151 CO 0.38 -1.83 0.24 -1.21 0.00 0.00 0.00 175.76 173.35 1r15 s GLU 152 N -4.91 0.41 3.88 0.00 2.02 -1.26 -4.48 118.70 114.36 1r15 s GLU 152 Ca 0.61 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.70 1r15 s GLU 152 Cb -0.17 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.24 1r15 s GLU 152 CO 0.56 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.17 1r15 n GLY 153 N 2.33 0.57 3.77 -1.39 0.00 0.61 -0.86 105.19 110.22 1r15 n GLY 153 Ca -0.16 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1r15 n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r15 s GLU 154 N 0.00 4.29 0.06 1.61 2.02 -1.26 -0.46 118.70 124.96 1r15 s GLU 154 Ca 0.00 1.82 0.08 0.00 0.02 0.00 0.00 54.97 56.88 1r15 s GLU 154 Cb 0.00 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 1r15 s GLU 154 CO 0.00 -0.11 -0.21 0.08 0.02 0.00 0.00 175.26 175.04 1r15 s VAL 155 N -1.34 1.69 0.00 2.63 1.01 -0.29 -3.67 120.40 120.42 1r15 s VAL 155 Ca 0.52 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1r15 s VAL 155 Cb -0.31 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1r15 s VAL 155 CO 0.39 0.13 -0.23 -0.89 0.00 0.00 0.00 175.10 174.50 1r15 s THR 156 N -0.91 1.80 -0.10 3.92 2.01 -0.32 -0.88 115.64 121.16 1r15 s THR 156 Ca 0.07 -1.06 -0.00 0.00 0.31 0.00 0.00 61.69 61.01 1r15 s THR 156 Cb -0.09 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 70.93 1r15 s THR 156 CO 0.03 0.43 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.86 1r15 s TYR 157 N -0.61 1.33 -0.17 4.92 5.04 0.14 0.50 117.35 128.49 1r15 s TYR 157 Ca 0.09 -0.63 -0.06 0.00 -2.44 0.00 0.00 57.07 54.03 1r15 s TYR 157 Cb -0.09 -1.15 -0.03 0.00 0.35 0.00 0.00 41.96 41.04 1r15 s TYR 157 CO -0.00 -0.47 0.02 1.41 -1.34 0.00 0.00 175.55 175.16 1r15 s MET 158 N 1.71 3.83 0.18 4.97 -2.45 -0.00 0.12 119.30 127.66 1r15 s MET 158 Ca 0.04 -0.43 0.05 0.00 -1.25 0.00 0.00 55.69 54.10 1r15 s MET 158 Cb -0.13 -3.08 -0.05 0.00 1.25 0.00 0.00 34.83 32.83 1r15 s MET 158 CO -0.07 0.25 -0.09 0.14 1.05 0.00 0.00 175.02 176.30 1r15 s VAL 159 N 0.39 1.26 -0.30 10.11 -7.23 -0.11 -1.27 120.40 123.25 1r15 s VAL 159 Ca -0.00 -2.09 -0.20 0.00 -1.81 0.00 0.00 61.98 57.88 1r15 s VAL 159 Cb -0.13 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 1r15 s VAL 159 CO 0.01 -0.62 0.62 -0.62 -0.31 0.00 0.00 175.10 174.19 1r15 s ASP 160 N -3.23 6.48 -0.04 4.85 -1.08 -1.22 -0.16 116.67 122.27 1r15 s ASP 160 Ca 0.21 0.41 0.18 0.00 -0.52 0.00 0.00 52.55 52.83 1r15 s ASP 160 Cb 0.03 -2.32 0.58 0.00 -1.46 0.00 0.00 42.92 39.75 1r15 s ASP 160 CO 0.04 -0.47 1.49 0.61 0.52 0.00 0.00 175.17 177.36 1r15 n GLY 161 N 4.44 2.73 0.39 2.66 0.00 0.71 -3.93 105.19 112.19 1r15 n GLY 161 Ca -0.01 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.35 1r15 n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r15 n SER 162 N 1.11 1.94 -4.14 1.61 7.64 -1.24 -0.42 113.62 120.13 1r15 n SER 162 Ca 0.22 -3.47 -0.37 0.00 1.01 0.00 0.00 58.87 56.25 1r15 n SER 162 Cb 0.67 -0.47 -0.11 0.00 -1.01 0.00 0.00 64.21 63.29 1r15 n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1r15 s ASN 163 N -3.01 5.35 0.53 6.43 3.04 -1.26 -4.83 114.94 121.18 1r15 s ASN 163 Ca 0.35 -1.97 0.27 0.00 0.04 0.00 0.00 52.86 51.54 1r15 s ASN 163 Cb 0.32 -1.87 1.43 0.00 -1.54 0.00 0.00 41.25 39.59 1r15 s ASN 163 CO -0.03 -0.57 1.96 1.55 -3.04 0.00 0.00 177.10 176.98 1r15 h PRO 164 N 8.14 0.00 0.00 0.43 0.13 -1.93 -1.53 132.00 137.24 1r15 h PRO 164 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1r15 h PRO 164 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1r15 h PRO 164 CO 0.73 0.00 -0.86 0.87 -0.23 0.00 0.00 178.00 178.50 1r15 h LYS 165 N 0.00 0.00 -3.64 0.86 1.57 -2.02 -3.45 116.57 109.88 1r15 h LYS 165 Ca 0.30 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.56 1r15 h LYS 165 Cb 1.21 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.12 1r15 h LYS 165 CO -0.00 0.00 -0.77 0.08 -0.57 0.00 0.00 179.45 178.19 1r15 s VAL 166 N -3.28 0.59 0.57 0.50 1.01 -0.58 -5.12 120.40 114.09 1r15 s VAL 166 Ca 0.02 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.29 1r15 s VAL 166 Cb 0.11 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1r15 s VAL 166 CO 0.77 -0.12 1.30 -2.16 0.00 0.00 0.00 175.10 174.88 1r15 s PRO 167 N 1.84 3.03 0.19 2.72 0.04 -1.26 -4.52 135.00 137.03 1r15 s PRO 167 Ca -0.00 2.09 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 1r15 s PRO 167 Cb -0.16 -2.12 0.12 0.00 0.04 0.00 0.00 34.50 32.38 1r15 s PRO 167 CO -0.08 -1.23 1.57 0.00 0.04 0.00 0.00 177.00 177.31 1r15 h ALA 168 N 1.20 -0.09 -3.57 8.56 0.00 -1.89 -3.38 119.26 120.08 1r15 h ALA 168 Ca -0.51 0.17 -0.68 0.00 0.00 0.00 0.00 54.91 53.89 1r15 h ALA 168 Cb 1.30 0.89 -0.18 0.00 0.00 0.00 0.00 17.79 19.80 1r15 h ALA 168 CO 0.56 -0.71 -0.68 -0.47 0.00 0.00 0.00 179.25 177.95 1r15 s TYR 169 N -5.93 2.99 -0.06 0.00 5.04 -1.26 -4.71 117.35 113.41 1r15 s TYR 169 Ca -0.14 0.04 -0.03 0.00 -2.44 0.00 0.00 57.07 54.50 1r15 s TYR 169 Cb 0.16 -1.74 0.04 0.00 0.35 0.00 0.00 41.96 40.77 1r15 s TYR 169 CO 0.69 0.34 0.14 1.03 -1.34 0.00 0.00 175.55 176.41 1r15 s ARG 170 N -0.76 0.10 0.60 4.97 0.52 -1.26 -4.82 118.95 118.30 1r15 s ARG 170 Ca 0.12 0.36 0.29 0.00 -0.52 0.00 0.00 55.73 55.98 1r15 s ARG 170 Cb -0.11 -0.16 1.61 0.00 0.52 0.00 0.00 34.95 36.81 1r15 s ARG 170 CO 0.02 -0.16 2.01 -1.35 0.02 0.00 0.00 175.30 175.84 1r15 h PRO 171 N 7.16 0.00 -0.60 3.54 0.11 -1.98 -2.56 132.00 137.67 1r15 h PRO 171 Ca -0.42 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.27 1r15 h PRO 171 Cb 1.14 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.95 1r15 h PRO 171 CO 0.42 0.00 -0.49 -0.40 -0.21 0.00 0.00 178.00 177.32 1r15 n ASP 172 N -3.62 4.36 -4.97 -2.05 5.75 -1.26 -2.93 116.55 111.83 1r15 n ASP 172 Ca 0.03 -3.79 -0.22 0.00 -0.01 0.00 0.00 54.79 50.81 1r15 n ASP 172 Cb 0.45 -0.48 0.01 0.00 -1.03 0.00 0.00 41.12 40.07 1r15 n ASP 172 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1r15 s SER 173 N -3.22 5.75 0.47 -1.12 1.04 -0.96 -4.82 113.70 110.84 1r15 s SER 173 Ca 0.49 0.11 0.16 0.00 0.48 0.00 0.00 55.95 57.19 1r15 s SER 173 Cb 0.41 -1.32 1.13 0.00 0.10 0.00 0.00 66.02 66.35 1r15 s SER 173 CO 0.01 -0.73 2.03 -0.26 0.98 0.00 0.00 173.24 175.27 1r15 h PHE 174 N 0.44 0.26 0.27 5.02 -1.00 -1.93 0.20 116.94 120.20 1r15 h PHE 174 Ca -0.45 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.32 1r15 h PHE 174 Cb 1.26 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.74 1r15 h PHE 174 CO 0.43 0.14 -0.13 0.35 -1.61 0.00 0.00 178.31 177.49 1r15 h PHE 175 N 0.26 -0.34 -0.00 -0.55 3.57 -1.90 0.25 116.94 118.23 1r15 h PHE 175 Ca 0.20 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1r15 h PHE 175 Cb 0.45 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1r15 h PHE 175 CO -0.00 -0.07 -0.27 0.78 -2.23 0.00 0.00 178.31 176.52 1r15 h GLY 176 N -0.57 0.00 0.76 2.40 0.00 -1.34 0.22 103.07 104.55 1r15 h GLY 176 Ca -0.04 -0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.97 1r15 h GLY 176 CO 0.06 0.00 -1.61 0.50 0.00 0.00 0.00 176.54 175.49 1r15 h LYS 177 N 0.00 0.33 0.00 4.80 1.57 -0.55 -3.40 116.57 119.32 1r15 h LYS 177 Ca -0.00 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1r15 h LYS 177 Cb 0.48 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1r15 h LYS 177 CO 0.03 1.27 -0.92 0.66 -0.57 0.00 0.00 179.45 179.93 1r15 n TYR 178 N -3.73 0.00 -0.01 -1.35 4.01 0.83 -4.74 117.16 112.17 1r15 n TYR 178 Ca -0.25 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1r15 n TYR 178 Cb 1.00 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.03 1r15 n TYR 178 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1r15 h GLU 179 N 0.00 0.00 -0.62 -0.72 5.08 -0.70 -3.32 114.58 114.30 1r15 h GLU 179 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1r15 h GLU 179 Cb 0.61 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.75 1r15 h GLU 179 CO 0.00 0.00 0.03 1.25 -1.00 0.00 0.00 179.01 179.29 1r15 h LEU 180 N -0.20 -0.21 -2.12 1.33 5.85 -0.91 -1.23 115.31 117.82 1r15 h LEU 180 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1r15 h LEU 180 Cb 0.05 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1r15 h LEU 180 CO 0.00 -0.09 0.00 -0.65 -0.34 0.00 0.00 178.44 177.36 1r15 h PRO 181 N 0.15 0.00 -0.37 5.25 0.11 -1.78 -2.76 132.00 132.59 1r15 h PRO 181 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1r15 h PRO 181 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1r15 h PRO 181 CO -0.51 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.37 1r15 n ASN 182 N -2.94 3.39 -4.71 -2.05 3.02 -0.48 -4.94 115.26 106.57 1r15 n ASN 182 Ca -0.01 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.14 1r15 n ASN 182 Cb 0.16 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 1r15 n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r15 s LEU 183 N -1.46 4.36 0.80 3.41 1.43 -1.05 -3.60 118.68 122.58 1r15 s LEU 183 Ca 0.37 2.44 -0.08 0.00 -1.03 0.00 0.00 54.13 55.82 1r15 s LEU 183 Cb 0.22 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.99 1r15 s LEU 183 CO 0.30 -0.78 1.12 0.42 0.23 0.00 0.00 176.35 177.64 1r15 s THR 184 N 1.68 2.13 -1.62 5.49 -4.23 -1.26 -4.94 115.64 112.89 1r15 s THR 184 Ca 0.69 -0.28 0.15 0.00 -1.18 0.00 0.00 61.69 61.07 1r15 s THR 184 Cb -0.39 -2.85 0.32 0.00 1.34 0.00 0.00 72.50 70.92 1r15 s THR 184 CO 0.31 0.00 1.38 -0.46 -0.54 0.00 0.00 174.62 175.31 1r15 n ASN 185 N -3.20 0.00 0.17 3.99 6.94 -1.26 -1.28 115.26 120.62 1r15 n ASN 185 Ca 0.13 -0.11 0.13 0.00 -0.02 0.00 0.00 54.58 54.71 1r15 n ASN 185 Cb 0.60 -0.19 0.39 0.00 -2.36 0.00 0.00 39.78 38.22 1r15 n ASN 185 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1r15 h LYS 186 N 0.00 0.00 -6.50 -3.83 1.57 -1.92 -3.43 116.57 102.45 1r15 h LYS 186 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1r15 h LYS 186 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1r15 h LYS 186 CO 0.00 0.00 0.27 0.08 -0.57 0.00 0.00 179.45 179.23 1r15 s VAL 187 N -3.25 4.48 -0.25 0.50 1.01 -0.41 -0.29 120.40 122.20 1r15 s VAL 187 Ca 0.07 1.88 -0.16 0.00 0.00 0.00 0.00 61.98 63.77 1r15 s VAL 187 Cb 0.09 -4.23 -0.12 0.00 0.00 0.00 0.00 36.38 32.12 1r15 s VAL 187 CO 0.57 0.39 -0.27 0.41 0.00 0.00 0.00 175.10 176.21 1r15 n THR 188 N 2.40 1.52 -4.04 3.92 -1.04 0.40 -4.81 114.28 112.63 1r15 n THR 188 Ca -0.01 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 61.67 1r15 n THR 188 Cb 0.49 -1.99 -0.09 0.00 -1.82 0.00 0.00 70.33 66.92 1r15 n THR 188 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1r15 s ARG 189 N -2.54 0.86 -0.26 -2.82 3.52 -1.24 -1.64 118.95 114.83 1r15 s ARG 189 Ca -0.35 -1.22 0.00 0.00 -0.13 0.00 0.00 55.73 54.02 1r15 s ARG 189 Cb 0.12 0.28 0.08 0.00 -1.56 0.00 0.00 34.95 33.86 1r15 s ARG 189 CO 0.49 -0.25 0.01 0.08 -0.81 0.00 0.00 175.30 174.82 1r15 s VAL 190 N -3.96 1.30 -0.20 7.11 1.01 -0.79 -1.14 120.40 123.72 1r15 s VAL 190 Ca 0.14 -1.31 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 1r15 s VAL 190 Cb 0.06 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1r15 s VAL 190 CO -0.05 -0.33 0.31 -0.54 0.00 0.00 0.00 175.10 174.49 1r15 s LYS 191 N 1.46 4.16 -0.04 2.72 1.02 -0.06 -2.02 119.74 126.98 1r15 s LYS 191 Ca 0.01 0.06 -0.02 0.00 0.02 0.00 0.00 55.97 56.04 1r15 s LYS 191 Cb -0.18 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 1r15 s LYS 191 CO -0.12 0.04 0.07 0.08 -0.92 0.00 0.00 175.35 174.50 1r15 s VAL 192 N 1.07 4.71 -0.19 3.17 1.01 -0.12 -0.69 120.40 129.36 1r15 s VAL 192 Ca 0.15 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1r15 s VAL 192 Cb -0.14 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.19 1r15 s VAL 192 CO 0.06 0.46 -0.13 -0.63 0.00 0.00 0.00 175.10 174.86 1r15 s ILE 193 N -1.08 1.76 -0.16 2.22 1.01 0.12 -1.35 121.20 123.71 1r15 s ILE 193 Ca 0.19 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 1r15 s ILE 193 Cb -0.12 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 1r15 s ILE 193 CO 0.09 0.25 0.28 -0.69 0.00 0.00 0.00 174.94 174.88 1r15 s VAL 194 N 1.36 5.31 -0.22 2.92 1.01 0.51 -0.93 120.40 130.35 1r15 s VAL 194 Ca -0.00 0.53 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 1r15 s VAL 194 Cb -0.16 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1r15 s VAL 194 CO -0.09 0.39 0.11 -0.22 0.00 0.00 0.00 175.10 175.29 1r15 s LEU 195 N 0.47 3.87 -0.63 3.92 0.20 0.77 -1.25 118.68 126.02 1r15 s LEU 195 Ca 0.16 0.03 -0.04 0.00 0.69 0.00 0.00 54.13 54.96 1r15 s LEU 195 Cb -0.13 -2.02 0.16 0.00 -0.43 0.00 0.00 46.19 43.77 1r15 s LEU 195 CO 0.04 0.07 0.46 -1.00 -0.29 0.00 0.00 176.35 175.63 1r15 s HIS 196 N 0.98 3.46 0.23 5.38 3.76 -1.26 -0.20 115.29 127.64 1r15 s HIS 196 Ca 0.06 -2.57 -0.28 0.00 -0.15 0.00 0.00 55.06 52.12 1r15 s HIS 196 Cb -0.14 -3.29 -0.16 0.00 1.11 0.00 0.00 32.58 30.10 1r15 s HIS 196 CO 0.03 -0.88 0.69 0.54 -0.85 0.00 0.00 174.74 174.28 1r15 n ARG 197 N 3.69 0.46 -1.99 1.40 1.74 -1.26 -4.82 116.66 115.87 1r15 n ARG 197 Ca 0.07 0.16 -0.41 0.00 -0.77 0.00 0.00 57.85 56.90 1r15 n ARG 197 Cb 0.39 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 1r15 n ARG 197 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r15 s LEU 198 N 2.12 4.39 -1.42 0.55 1.43 -1.26 -2.87 118.68 121.62 1r15 s LEU 198 Ca 0.62 2.78 -0.04 0.00 -1.03 0.00 0.00 54.13 56.46 1r15 s LEU 198 Cb -0.85 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1r15 s LEU 198 CO 0.57 -0.68 0.59 0.61 0.23 0.00 0.00 176.35 177.67 1r15 n GLY 199 N 1.23 -0.42 3.05 -3.19 0.00 -1.26 -5.00 105.19 99.60 1r15 n GLY 199 Ca 0.03 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1r15 n GLY 199 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r15 s GLU 200 N -5.64 0.88 0.22 1.61 0.41 -1.14 -5.10 118.70 109.94 1r15 s GLU 200 Ca 0.29 -0.38 -0.32 0.00 -0.41 0.00 0.00 54.97 54.15 1r15 s GLU 200 Cb -0.13 -0.85 -0.12 0.00 -1.78 0.00 0.00 34.13 31.25 1r15 s GLU 200 CO 0.36 0.23 1.66 1.17 -0.49 0.00 0.00 175.26 178.19 1r15 n LYS 201 N 2.84 2.62 -2.28 1.61 4.81 -1.26 -4.86 118.16 121.64 1r15 n LYS 201 Ca -0.14 0.94 -0.42 0.00 -0.87 0.00 0.00 58.31 57.82 1r15 n LYS 201 Cb 0.56 -2.75 -0.03 0.00 0.02 0.00 0.00 35.03 32.83 1r15 n LYS 201 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1r15 s ILE 202 N 0.84 3.51 -0.15 3.15 1.01 -1.26 -4.68 121.20 123.62 1r15 s ILE 202 Ca 0.73 1.14 -0.05 0.00 0.00 0.00 0.00 60.65 62.48 1r15 s ILE 202 Cb -0.54 -3.73 -0.07 0.00 0.01 0.00 0.00 42.46 38.12 1r15 s ILE 202 CO 0.37 0.12 -0.17 -0.38 0.00 0.00 0.00 174.94 174.88 1r15 n ILE 203 N 3.44 0.83 -4.30 2.92 2.08 0.44 -5.00 119.36 119.78 1r15 n ILE 203 Ca 0.09 -0.25 -0.30 0.00 0.56 0.00 0.00 62.75 62.85 1r15 n ILE 203 Cb 0.44 -1.47 -0.10 0.00 -0.75 0.00 0.00 39.64 37.75 1r15 n ILE 203 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1r15 s GLU 204 N -2.28 2.24 0.03 0.38 0.41 0.11 -5.01 118.70 114.58 1r15 s GLU 204 Ca -0.21 -0.95 -0.00 0.00 -0.41 0.00 0.00 54.97 53.40 1r15 s GLU 204 Cb 0.07 -2.35 -0.03 0.00 -1.78 0.00 0.00 34.13 30.04 1r15 s GLU 204 CO 0.29 0.53 -0.03 0.15 -0.49 0.00 0.00 175.26 175.71 1r15 s LYS 205 N -2.01 0.43 0.61 1.61 1.02 -1.26 -4.84 119.74 115.30 1r15 s LYS 205 Ca 0.20 -0.86 -0.19 0.00 0.02 0.00 0.00 55.97 55.14 1r15 s LYS 205 Cb -0.11 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.32 1r15 s LYS 205 CO 0.12 -0.07 1.30 0.00 -0.92 0.00 0.00 175.35 175.78 1r15 n GLY 207 N 0.88 0.19 3.18 0.00 0.00 -1.26 -4.93 105.19 103.25 1r15 n GLY 207 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1r15 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r15 s ALA 208 N -1.42 1.02 0.00 4.61 0.00 -0.89 -4.60 121.76 120.49 1r15 s ALA 208 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1r15 s ALA 208 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1r15 s ALA 208 CO 0.00 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1r15 n GLY 209 N -0.06 2.62 0.24 0.00 0.00 -1.26 -1.57 105.19 105.16 1r15 n GLY 209 Ca -0.12 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1r15 n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r15 h SER 210 N 2.97 0.00 -0.32 1.61 4.64 -1.91 -2.36 113.55 118.17 1r15 h SER 210 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1r15 h SER 210 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1r15 h SER 210 CO 0.00 0.20 -0.19 -0.07 -0.87 0.00 0.00 176.83 175.90 1r15 h LEU 211 N 0.00 0.79 -0.65 5.97 -0.00 -1.56 0.51 115.31 120.38 1r15 h LEU 211 Ca -0.00 -0.27 -0.10 0.00 -0.00 0.00 0.00 57.88 57.50 1r15 h LEU 211 Cb 0.57 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 1r15 h LEU 211 CO 0.03 0.97 -0.06 0.25 -0.00 0.00 0.00 178.44 179.63 1r15 h LEU 212 N 0.70 0.99 -0.35 1.67 7.12 -0.81 -0.99 115.31 123.64 1r15 h LEU 212 Ca 0.10 -0.30 -0.06 0.00 0.13 0.00 0.00 57.88 57.75 1r15 h LEU 212 Cb 0.69 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 1r15 h LEU 212 CO 0.05 1.07 -0.02 0.44 -0.13 0.00 0.00 178.44 179.86 1r15 h ASP 213 N 0.90 0.62 -0.42 1.25 3.32 -1.00 -2.80 116.42 118.29 1r15 h ASP 213 Ca 0.15 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 56.91 1r15 h ASP 213 Cb 0.60 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1r15 h ASP 213 CO 0.04 0.79 0.22 0.25 -1.72 0.00 0.00 179.24 178.82 1r15 h LEU 214 N 0.43 0.34 -0.39 1.55 5.85 -0.76 -0.14 115.31 122.19 1r15 h LEU 214 Ca 0.10 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1r15 h LEU 214 Cb 0.49 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 1r15 h LEU 214 CO 0.02 0.24 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.20 1r15 h GLU 215 N 0.45 0.02 0.04 1.25 4.81 -1.06 0.78 114.58 120.87 1r15 h GLU 215 Ca 0.18 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1r15 h GLU 215 Cb 0.07 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1r15 h GLU 215 CO -0.11 0.01 -0.02 0.87 -0.73 0.00 0.00 179.01 179.03 1r15 h LYS 216 N 0.02 -0.05 -1.00 1.92 1.57 -1.20 -0.17 116.57 117.65 1r15 h LYS 216 Ca 0.19 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.10 1r15 h LYS 216 Cb 0.28 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.52 1r15 h LYS 216 CO -0.38 -0.00 0.62 1.25 -0.57 0.00 0.00 179.45 180.37 1r15 h LEU 217 N -0.09 0.90 0.09 2.94 5.85 -0.04 0.19 115.31 125.14 1r15 h LEU 217 Ca -0.01 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1r15 h LEU 217 Cb 0.08 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1r15 h LEU 217 CO 0.01 0.45 -0.04 0.58 -0.34 0.00 0.00 178.44 179.10 1r15 h VAL 218 N 0.95 1.16 -0.04 1.05 2.07 0.92 -2.37 116.25 119.99 1r15 h VAL 218 Ca 0.51 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1r15 h VAL 218 Cb 0.56 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1r15 h VAL 218 CO -0.29 0.28 0.04 0.11 0.02 0.00 0.00 177.57 177.73 1r15 h LYS 219 N -0.69 0.00 -0.05 1.57 1.57 -0.70 -0.29 116.57 117.98 1r15 h LYS 219 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1r15 h LYS 219 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1r15 h LYS 219 CO 0.02 0.00 0.02 0.00 -0.57 0.00 0.00 179.45 178.92 1r15 h ALA 220 N 1.96 0.07 0.00 3.86 0.00 -0.46 -0.62 119.26 124.07 1r15 h ALA 220 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1r15 h ALA 220 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1r15 h ALA 220 CO -0.00 -0.33 0.00 1.63 0.00 0.00 0.00 179.25 180.55 1r15 n LYS 221 N -4.95 0.51 -2.86 0.00 5.02 -0.15 -4.82 118.16 110.90 1r15 n LYS 221 Ca -0.07 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.12 1r15 n LYS 221 Cb 0.12 -1.18 0.05 0.00 -0.02 0.00 0.00 35.03 34.00 1r15 n LYS 221 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1r15 n HIS 222 N -0.68 -1.30 -4.39 2.13 8.25 -0.24 -5.03 115.22 113.96 1r15 n HIS 222 Ca 0.04 0.53 -0.24 0.00 -0.26 0.00 0.00 57.72 57.79 1r15 n HIS 222 Cb 0.02 -3.61 -0.11 0.00 1.12 0.00 0.00 29.99 27.41 1r15 n HIS 222 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1r15 s PHE 223 N -3.19 2.09 0.81 4.41 0.08 -1.06 -4.99 117.98 116.11 1r15 s PHE 223 Ca 0.07 -0.41 -0.12 0.00 0.12 0.00 0.00 56.93 56.60 1r15 s PHE 223 Cb -0.03 -1.02 0.07 0.00 -0.57 0.00 0.00 43.02 41.48 1r15 s PHE 223 CO 0.40 0.45 1.12 0.00 -0.10 0.00 0.00 175.22 177.10 1r15 s ALA 224 N -1.96 2.34 -0.07 5.36 0.00 -0.65 -4.02 121.76 122.77 1r15 s ALA 224 Ca 0.20 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1r15 s ALA 224 Cb -0.06 -3.05 0.03 0.00 0.00 0.00 0.00 23.12 20.03 1r15 s ALA 224 CO 0.09 -1.72 0.16 0.12 0.00 0.00 0.00 175.76 174.41 1r15 s PHE 225 N -3.29 -0.18 0.24 0.00 5.36 -1.26 -1.89 117.98 116.96 1r15 s PHE 225 Ca 0.61 0.47 0.05 0.00 -0.96 0.00 0.00 56.93 57.11 1r15 s PHE 225 Cb -0.13 0.01 -0.05 0.00 -0.34 0.00 0.00 43.02 42.50 1r15 s PHE 225 CO 0.53 -0.13 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.60 1r15 s ASP 226 N 0.58 2.32 -0.28 6.13 1.01 -0.86 -4.98 116.67 120.60 1r15 s ASP 226 Ca -0.04 -1.17 -0.21 0.00 0.71 0.00 0.00 52.55 51.84 1r15 s ASP 226 Cb -0.06 -0.09 0.09 0.00 1.01 0.00 0.00 42.92 43.88 1r15 s ASP 226 CO -0.03 -0.39 0.81 0.00 0.21 0.00 0.00 175.17 175.77 1r15 s VAL 228 N 0.88 0.06 -0.19 0.00 -7.23 -0.46 -4.94 120.40 108.52 1r15 s VAL 228 Ca -0.04 -0.49 -0.05 0.00 -1.81 0.00 0.00 61.98 59.59 1r15 s VAL 228 Cb -0.05 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.58 1r15 s VAL 228 CO -0.09 -0.27 -0.00 -1.61 -0.31 0.00 0.00 175.10 172.81 1r15 s GLU 229 N -0.87 3.64 -1.05 4.82 2.02 -1.26 -0.37 118.70 125.62 1r15 s GLU 229 Ca -0.10 -0.51 -0.20 0.00 0.02 0.00 0.00 54.97 54.18 1r15 s GLU 229 Cb -0.06 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 31.13 1r15 s GLU 229 CO 0.00 0.05 0.66 0.09 0.02 0.00 0.00 175.26 176.08 1r15 n ASN 230 N 4.14 -4.53 -4.77 -0.19 4.13 -0.38 -4.86 115.26 108.80 1r15 n ASN 230 Ca -0.17 -1.14 -0.40 0.00 1.68 0.00 0.00 54.58 54.55 1r15 n ASN 230 Cb 0.52 -1.79 0.01 0.00 -1.54 0.00 0.00 39.78 36.98 1r15 n ASN 230 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1r15 s PRO 231 N -6.32 3.83 0.28 3.52 0.04 -1.26 -4.46 135.00 130.62 1r15 s PRO 231 Ca 0.29 2.38 -0.01 0.00 0.04 0.00 0.00 61.00 63.70 1r15 s PRO 231 Cb -0.16 -2.74 0.64 0.00 0.04 0.00 0.00 34.50 32.29 1r15 s PRO 231 CO 0.94 -0.69 1.63 0.00 0.04 0.00 0.00 177.00 178.92 1r15 h ARG 232 N 2.53 0.13 -0.61 4.56 3.08 -1.98 0.17 114.38 122.25 1r15 h ARG 232 Ca -0.51 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 59.66 1r15 h ARG 232 Cb 1.26 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 31.19 1r15 h ARG 232 CO 0.62 0.08 0.10 0.00 -1.07 0.00 0.00 179.97 179.70 1r15 h ALA 233 N 1.80 0.70 -0.14 0.04 0.00 -2.01 -0.49 119.26 119.17 1r15 h ALA 233 Ca 0.52 0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.46 1r15 h ALA 233 Cb 1.03 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1r15 h ALA 233 CO -0.72 -0.34 -0.38 0.28 0.00 0.00 0.00 179.25 178.10 1r15 h VAL 234 N 0.22 1.36 -0.42 0.00 2.07 -1.10 -3.13 116.25 115.25 1r15 h VAL 234 Ca 0.32 -1.67 0.08 0.00 0.82 0.00 0.00 66.70 66.26 1r15 h VAL 234 Cb 0.50 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.26 1r15 h VAL 234 CO -0.44 0.50 -0.05 0.25 0.02 0.00 0.00 177.57 177.85 1r15 h LEU 235 N 0.11 -0.28 -1.53 2.57 5.85 -0.46 0.14 115.31 121.71 1r15 h LEU 235 Ca -0.01 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1r15 h LEU 235 Cb 0.99 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1r15 h LEU 235 CO 0.08 -0.09 0.44 -0.26 -0.34 0.00 0.00 178.44 178.27 1r15 h PHE 236 N 0.06 0.56 -0.57 1.25 0.04 -1.13 0.16 116.94 117.31 1r15 h PHE 236 Ca 0.21 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.95 1r15 h PHE 236 Cb 0.31 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1r15 h PHE 236 CO -0.32 0.27 0.19 1.25 -0.60 0.00 0.00 178.31 179.10 1r15 h LEU 237 N 0.53 0.82 -0.55 1.54 5.85 -0.94 -1.65 115.31 120.91 1r15 h LEU 237 Ca 0.30 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1r15 h LEU 237 Cb 0.49 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1r15 h LEU 237 CO -0.10 0.80 0.13 -0.07 -0.34 0.00 0.00 178.44 178.87 1r15 h LEU 238 N 0.80 0.84 -1.39 2.25 3.38 -0.05 -2.72 115.31 118.42 1r15 h LEU 238 Ca 0.18 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1r15 h LEU 238 Cb 0.27 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1r15 h LEU 238 CO -0.01 0.86 0.44 0.00 0.09 0.00 0.00 178.44 179.82 1r15 h SER 240 N 0.80 0.29 0.58 0.00 0.87 -0.97 0.55 113.55 115.66 1r15 h SER 240 Ca 0.26 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1r15 h SER 240 Cb 0.05 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1r15 h SER 240 CO -0.07 0.16 -0.01 0.47 -0.53 0.00 0.00 176.83 176.85 1r15 n ASP 241 N -4.97 0.03 -2.82 6.23 9.92 -1.06 -4.30 116.55 119.57 1r15 n ASP 241 Ca 0.10 -0.14 -0.08 0.00 -0.53 0.00 0.00 54.79 54.15 1r15 n ASP 241 Cb 0.30 -0.28 0.01 0.00 -0.64 0.00 0.00 41.12 40.51 1r15 n ASP 241 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1r15 n ASN 242 N -1.28 -2.96 -0.11 -2.24 4.05 -0.05 -5.02 115.26 107.65 1r15 n ASN 242 Ca 0.14 -2.96 0.03 0.00 0.45 0.00 0.00 54.58 52.23 1r15 n ASN 242 Cb 0.25 1.51 0.34 0.00 1.23 0.00 0.00 39.78 43.10 1r15 n ASN 242 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1r15 h PRO 243 N 4.77 0.76 0.00 1.20 0.11 -1.17 -2.87 132.00 134.80 1r15 h PRO 243 Ca 0.03 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1r15 h PRO 243 Cb 1.07 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1r15 h PRO 243 CO 0.14 0.51 -0.22 -0.91 -0.21 0.00 0.00 178.00 177.30 1r15 h ASN 244 N 0.79 0.00 -0.91 -2.05 4.21 -1.96 -3.45 115.58 112.21 1r15 h ASN 244 Ca 0.22 0.00 -0.64 0.00 1.21 0.00 0.00 56.30 57.09 1r15 h ASN 244 Cb -0.07 0.00 0.09 0.00 -1.12 0.00 0.00 38.32 37.22 1r15 h ASN 244 CO -0.05 0.22 -0.33 0.00 -1.29 0.00 0.00 177.43 175.98 1r15 n ALA 245 N -2.21 -2.90 -0.21 -0.83 0.00 -1.08 -4.81 120.51 108.47 1r15 n ALA 245 Ca 0.01 0.44 0.05 0.00 0.00 0.00 0.00 53.44 53.94 1r15 n ALA 245 Cb 0.45 -1.51 0.32 0.00 0.00 0.00 0.00 19.45 18.71 1r15 n ALA 245 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1r15 h ARG 246 N 1.43 0.82 0.00 0.00 1.12 -1.91 -1.86 114.38 113.97 1r15 h ARG 246 Ca -0.31 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.51 1r15 h ARG 246 Cb 1.31 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 31.09 1r15 h ARG 246 CO 0.54 0.54 0.00 0.39 -3.11 0.00 0.00 179.97 178.33 1r15 n GLU 247 N -4.47 0.52 -0.04 0.20 4.71 -1.26 -2.85 120.64 117.46 1r15 n GLU 247 Ca 0.11 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.28 1r15 n GLU 247 Cb 0.19 -1.36 0.04 0.00 -1.01 0.00 0.00 31.44 29.30 1r15 n GLU 247 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1r15 n ARG 249 N 0.08 1.79 -2.92 0.00 1.74 -1.13 -4.92 116.66 111.30 1r15 n ARG 249 Ca 0.04 0.65 -0.40 0.00 -0.77 0.00 0.00 57.85 57.37 1r15 n ARG 249 Cb 0.22 -2.38 -0.05 0.00 -1.02 0.00 0.00 32.46 29.22 1r15 n ARG 249 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r15 s LEU 250 N 1.14 4.54 0.00 0.55 1.43 -1.26 -5.16 118.68 119.92 1r15 s LEU 250 Ca 0.82 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 1r15 s LEU 250 Cb -0.78 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.09 1r15 s LEU 250 CO 0.43 0.11 0.21 0.00 0.23 0.00 0.00 176.35 177.33