#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0s s VAL 2 N 0.00 5.02 0.52 7.28 1.01 -1.26 -1.97 120.40 131.01 1r0s s VAL 2 Ca 0.00 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.95 1r0s s VAL 2 Cb 0.00 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1r0s s VAL 2 CO 0.00 0.10 1.10 -2.84 0.00 0.00 0.00 175.10 173.47 1r0s s PRO 3 N 1.97 3.49 0.28 2.72 0.02 -1.26 -4.70 135.00 137.52 1r0s s PRO 3 Ca 0.28 1.54 -0.30 0.00 0.02 0.00 0.00 61.00 62.55 1r0s s PRO 3 Cb -0.16 -2.04 -0.10 0.00 0.02 0.00 0.00 34.50 32.22 1r0s s PRO 3 CO 0.10 -0.72 1.41 0.99 -0.33 0.00 0.00 177.00 178.45 1r0s s THR 4 N -1.83 2.61 0.46 0.99 2.01 0.51 -4.93 115.64 115.46 1r0s s THR 4 Ca 0.71 0.55 -0.21 0.00 0.31 0.00 0.00 61.69 63.04 1r0s s THR 4 Cb -0.22 -3.35 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 1r0s s THR 4 CO 0.25 0.10 1.03 -0.13 -0.69 0.00 0.00 174.62 175.18 1r0s s ARG 5 N -0.87 3.94 -1.45 4.92 0.52 -1.26 -3.77 118.95 120.97 1r0s s ARG 5 Ca 0.56 1.38 -0.03 0.00 -0.52 0.00 0.00 55.73 57.12 1r0s s ARG 5 Cb -0.42 -2.23 0.03 0.00 0.52 0.00 0.00 34.95 32.85 1r0s s ARG 5 CO 0.47 -0.32 0.48 0.39 0.02 0.00 0.00 175.30 176.35 1r0s n GLU 6 N -0.69 -3.34 -0.25 3.54 1.02 -1.26 -4.76 120.64 114.90 1r0s n GLU 6 Ca 0.08 0.40 -0.01 0.00 -0.02 0.00 0.00 57.16 57.61 1r0s n GLU 6 Cb 0.52 -4.63 0.05 0.00 -0.02 0.00 0.00 31.44 27.35 1r0s n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r0s h LEU 7 N -1.80 -0.98 -0.44 -4.62 5.85 -1.97 -0.77 115.31 110.58 1r0s h LEU 7 Ca -0.62 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1r0s h LEU 7 Cb 1.38 0.55 -0.02 0.00 0.37 0.00 0.00 40.66 42.94 1r0s h LEU 7 CO 0.65 -0.28 0.22 -0.08 -0.34 0.00 0.00 178.44 178.61 1r0s h GLU 8 N -0.07 0.63 -0.49 1.25 4.81 -1.94 -1.14 114.58 117.63 1r0s h GLU 8 Ca 0.31 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1r0s h GLU 8 Cb 0.56 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1r0s h GLU 8 CO -0.77 0.53 0.30 -0.91 -0.73 0.00 0.00 179.01 177.43 1r0s h ASN 9 N 0.57 0.49 0.01 1.04 2.35 -1.55 0.13 115.58 118.62 1r0s h ASN 9 Ca 0.15 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1r0s h ASN 9 Cb 0.10 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1r0s h ASN 9 CO -0.02 0.35 -0.01 0.58 -1.65 0.00 0.00 177.43 176.68 1r0s h VAL 10 N 0.60 1.09 0.11 2.81 2.07 -1.16 0.35 116.25 122.12 1r0s h VAL 10 Ca 0.19 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1r0s h VAL 10 Cb -0.01 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1r0s h VAL 10 CO -0.08 0.08 -0.34 0.15 0.02 0.00 0.00 177.57 177.40 1r0s h PHE 11 N -0.15 -0.93 -0.61 1.57 3.04 -0.96 0.44 116.94 119.33 1r0s h PHE 11 Ca -0.00 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.89 1r0s h PHE 11 Cb 0.14 0.40 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 1r0s h PHE 11 CO -0.03 -0.44 0.08 -0.07 -2.02 0.00 0.00 178.31 175.82 1r0s h LEU 12 N -0.56 0.97 -0.59 0.59 3.38 -0.71 -0.16 115.31 118.23 1r0s h LEU 12 Ca 0.03 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1r0s h LEU 12 Cb 0.60 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1r0s h LEU 12 CO -0.21 0.98 0.13 1.23 0.09 0.00 0.00 178.44 180.66 1r0s h GLY 13 N 1.03 1.02 1.33 0.83 0.00 0.24 -0.27 103.07 107.26 1r0s h GLY 13 Ca 0.19 -0.65 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 1r0s h GLY 13 CO 0.01 0.61 -0.50 3.21 0.00 0.00 0.00 176.54 179.88 1r0s h ARG 14 N 0.86 0.71 -0.35 4.80 3.08 -0.05 -2.37 114.38 121.06 1r0s h ARG 14 Ca 0.18 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1r0s h ARG 14 Cb 0.37 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1r0s h ARG 14 CO 0.00 1.04 0.19 0.00 -1.07 0.00 0.00 179.97 180.14 1r0s h LYS 16 N 0.44 0.76 -0.54 0.00 1.63 -1.03 0.68 116.57 118.50 1r0s h LYS 16 Ca 0.12 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.60 1r0s h LYS 16 Cb 0.05 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 1r0s h LYS 16 CO -0.02 0.92 0.29 0.22 -3.45 0.00 0.00 179.45 177.40 1r0s h ASP 17 N 0.56 0.69 0.31 4.20 3.58 -1.30 -1.89 116.42 122.58 1r0s h ASP 17 Ca 0.09 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1r0s h ASP 17 Cb 0.66 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1r0s h ASP 17 CO 0.04 0.60 -0.15 0.22 -2.88 0.00 0.00 179.24 177.07 1r0s h TYR 18 N 0.73 -0.39 -0.59 0.28 5.03 -0.94 0.19 116.97 121.28 1r0s h TYR 18 Ca 0.19 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.60 1r0s h TYR 18 Cb 0.07 0.13 -0.12 0.00 1.55 0.00 0.00 36.73 38.36 1r0s h TYR 18 CO -0.01 -0.09 -0.28 1.49 -1.32 0.00 0.00 178.16 177.94 1r0s h GLU 19 N -0.67 -0.12 0.07 1.82 4.81 -0.68 -2.12 114.58 117.69 1r0s h GLU 19 Ca -0.04 0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.91 1r0s h GLU 19 Cb 0.47 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1r0s h GLU 19 CO 0.07 -0.08 -1.51 0.82 -0.73 0.00 0.00 179.01 177.58 1r0s h ILE 20 N -0.13 1.14 0.00 2.32 1.08 -1.31 -3.43 117.51 117.19 1r0s h ILE 20 Ca 0.25 -2.86 0.00 0.00 -0.39 0.00 0.00 64.86 61.87 1r0s h ILE 20 Cb 0.53 2.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.95 1r0s h ILE 20 CO -0.67 0.77 0.00 0.35 -0.69 0.00 0.00 178.15 177.91 1r0s n THR 21 N -3.33 0.00 -4.76 -0.27 -2.24 0.67 -5.01 114.28 99.34 1r0s n THR 21 Ca -0.15 -0.30 -0.33 0.00 -2.27 0.00 0.00 64.05 61.00 1r0s n THR 21 Cb 1.03 1.30 -0.12 0.00 -2.10 0.00 0.00 70.33 70.43 1r0s n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1r0s s ARG 22 N -0.16 2.63 -1.43 -0.78 1.81 -0.80 -4.61 118.95 115.61 1r0s s ARG 22 Ca 0.00 -0.62 0.00 0.00 -1.72 0.00 0.00 55.73 53.39 1r0s s ARG 22 Cb 0.00 -2.48 0.00 0.00 -0.45 0.00 0.00 34.95 32.02 1r0s s ARG 22 CO 0.00 0.64 0.00 0.66 -0.68 0.00 0.00 175.30 175.92 1r0s n TYR 23 N 2.28 -0.83 -0.20 -0.53 4.02 -1.26 -4.83 117.16 115.81 1r0s n TYR 23 Ca -0.18 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 57.89 1r0s n TYR 23 Cb 0.53 -2.99 0.51 0.00 -0.02 0.00 0.00 39.34 37.37 1r0s n TYR 23 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1r0s h LEU 24 N 0.00 0.39 -2.11 7.72 3.38 -1.81 -0.36 115.31 122.51 1r0s h LEU 24 Ca -0.34 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1r0s h LEU 24 Cb 1.14 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1r0s h LEU 24 CO 0.44 0.18 0.00 0.47 0.09 0.00 0.00 178.44 179.62 1r0s n ASP 25 N -4.49 3.07 0.00 -0.43 8.00 -1.26 -4.54 116.55 116.91 1r0s n ASP 25 Ca 0.17 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.67 1r0s n ASP 25 Cb 0.62 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1r0s n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1r0s n ILE 26 N 1.19 0.00 -4.51 0.53 5.41 -0.28 -5.10 119.36 116.59 1r0s n ILE 26 Ca 0.19 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.66 1r0s n ILE 26 Cb 0.49 -0.71 -0.13 0.00 -0.71 0.00 0.00 39.64 38.57 1r0s n ILE 26 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1r0s s LEU 27 N -4.97 2.28 0.69 1.39 1.43 -0.39 -4.62 118.68 114.49 1r0s s LEU 27 Ca 0.00 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 1r0s s LEU 27 Cb 0.00 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1r0s s LEU 27 CO 0.00 0.18 1.08 -2.16 0.23 0.00 0.00 176.35 175.68 1r0s s PRO 28 N -1.82 3.00 0.54 1.29 0.04 -1.26 -4.59 135.00 132.20 1r0s s PRO 28 Ca 0.12 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.63 1r0s s PRO 28 Cb -0.10 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1r0s s PRO 28 CO 0.05 -0.96 0.94 1.03 0.04 0.00 0.00 177.00 178.09 1r0s s ARG 29 N -5.28 3.70 0.32 4.56 1.81 -1.26 -4.94 118.95 117.87 1r0s s ARG 29 Ca 0.58 0.66 0.01 0.00 -1.72 0.00 0.00 55.73 55.26 1r0s s ARG 29 Cb -0.11 -2.19 -0.03 0.00 -0.45 0.00 0.00 34.95 32.16 1r0s s ARG 29 CO 0.53 -0.35 0.51 0.08 -0.68 0.00 0.00 175.30 175.38 1r0s s VAL 30 N -2.85 5.14 0.11 3.52 1.01 -1.26 -5.01 120.40 121.06 1r0s s VAL 30 Ca 0.54 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 1r0s s VAL 30 Cb -0.10 -3.86 -0.17 0.00 0.00 0.00 0.00 36.38 32.25 1r0s s VAL 30 CO 0.44 -0.51 1.30 0.03 0.00 0.00 0.00 175.10 176.36 1r0s h ARG 31 N 0.85 0.67 -6.93 2.72 3.08 -1.94 -3.46 114.38 109.38 1r0s h ARG 31 Ca -0.50 -0.60 -0.51 0.00 0.07 0.00 0.00 59.98 58.44 1r0s h ARG 31 Cb 1.22 0.14 0.05 0.00 0.08 0.00 0.00 29.97 31.46 1r0s h ARG 31 CO 0.61 1.21 0.52 -1.12 -1.07 0.00 0.00 179.97 180.12 1r0s s SER 32 N -7.13 6.60 0.80 7.04 0.01 -1.26 -5.03 113.70 114.73 1r0s s SER 32 Ca -0.09 2.38 -0.11 0.00 1.31 0.00 0.00 55.95 59.44 1r0s s SER 32 Cb 0.09 -2.62 0.09 0.00 0.21 0.00 0.00 66.02 63.78 1r0s s SER 32 CO 0.90 -0.62 1.15 1.51 0.41 0.00 0.00 173.24 176.59 1r0s s ASP 33 N -1.04 4.46 0.24 2.44 3.84 -1.26 -4.85 116.67 120.49 1r0s s ASP 33 Ca 0.55 0.66 -0.05 0.00 -0.00 0.00 0.00 52.55 53.71 1r0s s ASP 33 Cb -0.32 -1.15 0.33 0.00 -1.38 0.00 0.00 42.92 40.40 1r0s s ASP 33 CO 0.40 -1.91 1.86 0.00 -0.00 0.00 0.00 175.17 175.53 1r0s h SER 35 N 1.04 0.14 -0.35 0.00 4.64 -1.98 -1.73 113.55 115.32 1r0s h SER 35 Ca 0.38 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 1r0s h SER 35 Cb 0.12 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1r0s h SER 35 CO -0.16 0.49 -0.01 0.00 -0.87 0.00 0.00 176.83 176.28 1r0s h ALA 36 N 1.52 0.47 -0.75 5.18 0.00 -1.77 -2.25 119.26 121.65 1r0s h ALA 36 Ca 0.01 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1r0s h ALA 36 Cb 0.69 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1r0s h ALA 36 CO 0.05 0.24 0.50 -0.07 0.00 0.00 0.00 179.25 179.97 1r0s h LEU 37 N 0.42 0.86 -0.50 0.00 3.38 -1.29 -2.44 115.31 115.74 1r0s h LEU 37 Ca 0.10 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1r0s h LEU 37 Cb 0.48 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1r0s h LEU 37 CO 0.02 0.62 0.31 -0.25 0.09 0.00 0.00 178.44 179.23 1r0s h TRP 38 N 1.02 0.58 -0.95 1.13 2.91 -1.20 -1.79 115.95 117.64 1r0s h TRP 38 Ca 0.28 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.36 1r0s h TRP 38 Cb -0.11 -0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 28.29 1r0s h TRP 38 CO -0.02 0.34 0.61 -0.22 -1.03 0.00 0.00 178.44 178.12 1r0s h LYS 39 N 0.61 1.12 -0.23 2.65 3.64 -0.93 -0.06 116.57 123.37 1r0s h LYS 39 Ca 0.20 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 1r0s h LYS 39 Cb 0.00 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1r0s h LYS 39 CO -0.08 0.74 -0.49 -0.44 -2.27 0.00 0.00 179.45 176.91 1r0s h ASP 40 N 1.15 0.68 0.31 4.20 3.32 -1.18 -2.33 116.42 122.58 1r0s h ASP 40 Ca 0.39 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1r0s h ASP 40 Cb 0.08 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1r0s h ASP 40 CO -0.15 1.06 -0.15 0.15 -1.72 0.00 0.00 179.24 178.43 1r0s h PHE 41 N 0.50 -0.39 -0.87 4.55 3.57 -1.01 -3.09 116.94 120.20 1r0s h PHE 41 Ca 0.02 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1r0s h PHE 41 Cb 1.03 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.85 1r0s h PHE 41 CO 0.05 -0.13 0.57 0.35 -2.23 0.00 0.00 178.31 176.91 1r0s h PHE 42 N -0.59 1.06 0.00 0.41 3.57 -0.98 -2.24 116.94 118.18 1r0s h PHE 42 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1r0s h PHE 42 Cb 0.43 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1r0s h PHE 42 CO -0.01 0.63 0.00 1.57 -2.23 0.00 0.00 178.31 178.27 1r0s h LYS 43 N 1.12 0.00 -0.43 1.11 2.10 -1.44 -0.12 116.57 118.91 1r0s h LYS 43 Ca 0.34 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.93 1r0s h LYS 43 Cb -0.04 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.26 1r0s h LYS 43 CO -0.10 0.00 0.04 0.00 -2.00 0.00 0.00 179.45 177.39 1r0s h ALA 44 N 2.12 1.26 -0.00 0.07 0.00 -1.32 -3.31 119.26 118.08 1r0s h ALA 44 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1r0s h ALA 44 Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1r0s h ALA 44 CO 0.00 0.50 -0.04 1.97 0.00 0.00 0.00 179.25 181.68 1r0s n PHE 45 N -4.26 0.00 -2.01 0.00 -1.74 -1.10 -4.76 117.46 103.59 1r0s n PHE 45 Ca 0.02 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.58 1r0s n PHE 45 Cb 0.25 0.00 0.02 0.00 1.52 0.00 0.00 39.48 41.27 1r0s n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1r0s s SER 46 N -0.93 5.60 -1.49 5.98 1.04 -0.07 -3.82 113.70 120.01 1r0s s SER 46 Ca 0.01 1.92 -0.12 0.00 0.48 0.00 0.00 55.95 58.23 1r0s s SER 46 Cb 0.01 -2.55 0.08 0.00 0.10 0.00 0.00 66.02 63.66 1r0s s SER 46 CO 0.04 -1.29 0.80 0.49 0.98 0.00 0.00 173.24 174.25 1r0s n PHE 47 N -2.01 -2.09 -4.04 5.02 3.72 -0.76 -4.91 117.46 112.39 1r0s n PHE 47 Ca 0.10 0.74 -0.08 0.00 -0.05 0.00 0.00 57.45 58.16 1r0s n PHE 47 Cb 0.52 -3.65 -0.10 0.00 -0.94 0.00 0.00 39.48 35.31 1r0s n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1r0s s LYS 48 N -6.40 0.53 0.55 -1.08 1.02 -1.14 -4.49 119.74 108.73 1r0s s LYS 48 Ca 0.57 -1.00 -0.22 0.00 0.02 0.00 0.00 55.97 55.34 1r0s s LYS 48 Cb -0.29 0.19 -0.05 0.00 -0.52 0.00 0.00 37.83 37.16 1r0s s LYS 48 CO 0.70 -0.10 1.37 -0.80 -0.92 0.00 0.00 175.35 175.61 1r0s s ASN 49 N -2.45 5.25 0.45 2.83 -0.87 -1.26 -0.89 114.94 118.00 1r0s s ASN 49 Ca -0.00 2.80 0.28 0.00 -1.57 0.00 0.00 52.86 54.37 1r0s s ASN 49 Cb 0.02 -2.64 1.52 0.00 -0.02 0.00 0.00 41.25 40.13 1r0s s ASN 49 CO -0.07 -1.59 1.84 1.55 -2.57 0.00 0.00 177.10 176.26 1r0s h PRO 50 N 1.47 0.00 -0.03 -0.60 0.13 -1.91 -0.98 132.00 130.09 1r0s h PRO 50 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1r0s h PRO 50 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1r0s h PRO 50 CO 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 1r0s n ASP 52 N 1.18 5.75 -4.10 0.00 2.03 -0.37 -4.75 116.55 116.28 1r0s n ASP 52 Ca 0.12 -3.03 -0.08 0.00 0.52 0.00 0.00 54.79 52.32 1r0s n ASP 52 Cb 0.52 -1.49 -0.10 0.00 -0.72 0.00 0.00 41.12 39.33 1r0s n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1r0s s LEU 53 N -0.14 2.17 0.00 -2.67 1.43 -1.26 -4.83 118.68 113.38 1r0s s LEU 53 Ca 0.46 -1.07 -0.07 0.00 -1.03 0.00 0.00 54.13 52.42 1r0s s LEU 53 Cb 0.13 0.27 0.03 0.00 0.03 0.00 0.00 46.19 46.65 1r0s s LEU 53 CO -0.04 -0.66 0.58 -0.90 0.23 0.00 0.00 176.35 175.57 1r0s n ASP 54 N 0.02 -1.65 0.23 2.29 5.68 -1.25 -3.88 116.55 117.99 1r0s n ASP 54 Ca -0.11 -2.66 0.18 0.00 -0.50 0.00 0.00 54.79 51.71 1r0s n ASP 54 Cb 0.62 2.90 0.85 0.00 -1.14 0.00 0.00 41.12 44.36 1r0s n ASP 54 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1r0s h LEU 55 N 0.00 0.00 0.00 -2.12 5.85 -1.87 -1.30 115.31 115.87 1r0s h LEU 55 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1r0s h LEU 55 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1r0s h LEU 55 CO 0.37 0.00 -0.16 0.61 -0.34 0.00 0.00 178.44 178.92 1r0s n GLY 56 N -1.34 -1.59 0.14 3.75 0.00 -1.26 -4.48 105.19 100.41 1r0s n GLY 56 Ca 0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1r0s n GLY 56 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r0s h SER 57 N 0.00 0.31 -0.42 1.61 0.02 -1.57 -2.54 113.55 110.96 1r0s h SER 57 Ca 0.00 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1r0s h SER 57 Cb 0.69 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 1r0s h SER 57 CO 0.00 0.23 0.08 -1.22 -1.14 0.00 0.00 176.83 174.78 1r0s n TYR 58 N -4.90 1.46 -0.18 3.45 4.01 -1.26 -4.43 117.16 115.30 1r0s n TYR 58 Ca -0.01 -0.63 -0.01 0.00 -0.16 0.00 0.00 57.90 57.08 1r0s n TYR 58 Cb 0.04 -0.43 0.09 0.00 -0.31 0.00 0.00 39.34 38.72 1r0s n TYR 58 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1r0s h LYS 59 N 2.20 0.35 -0.55 -0.72 3.11 -1.70 -1.97 116.57 117.28 1r0s h LYS 59 Ca 0.08 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.82 1r0s h LYS 59 Cb 1.59 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.72 1r0s h LYS 59 CO 0.39 0.23 0.06 -0.44 -2.81 0.00 0.00 179.45 176.88 1r0s h ASP 60 N 0.36 0.91 0.40 4.20 3.32 -1.84 -2.15 116.42 121.61 1r0s h ASP 60 Ca 0.28 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1r0s h ASP 60 Cb 0.33 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1r0s h ASP 60 CO -0.29 0.96 -0.24 0.15 -1.72 0.00 0.00 179.24 178.09 1r0s h PHE 61 N 0.83 -0.63 -0.31 4.55 3.57 -1.68 -0.79 116.94 122.48 1r0s h PHE 61 Ca 0.16 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1r0s h PHE 61 Cb 0.46 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1r0s h PHE 61 CO 0.03 -0.37 0.11 0.74 -2.23 0.00 0.00 178.31 176.59 1r0s h PHE 62 N -0.61 0.43 -0.18 0.41 0.04 -1.39 -0.15 116.94 115.49 1r0s h PHE 62 Ca -0.04 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 1r0s h PHE 62 Cb 0.50 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1r0s h PHE 62 CO -0.09 0.35 0.10 1.15 -0.60 0.00 0.00 178.31 179.22 1r0s h THR 63 N 0.43 1.09 -0.39 -1.55 2.02 -0.94 -1.60 112.91 111.97 1r0s h THR 63 Ca 0.11 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 1r0s h THR 63 Cb 0.11 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1r0s h THR 63 CO -0.01 0.09 -0.25 0.28 0.37 0.00 0.00 175.52 176.00 1r0s h SER 64 N 0.19 0.82 0.59 4.18 0.02 -0.41 -3.24 113.55 115.71 1r0s h SER 64 Ca 0.06 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1r0s h SER 64 Cb 0.05 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1r0s h SER 64 CO -0.01 1.03 -0.05 0.00 -1.14 0.00 0.00 176.83 176.66 1r0s n ALA 65 N -2.51 2.58 -2.09 3.77 0.00 -0.14 -4.71 120.51 117.42 1r0s n ALA 65 Ca -0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1r0s n ALA 65 Cb 0.45 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1r0s n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1r0s s GLN 66 N -2.65 4.29 0.19 0.00 2.00 -0.62 -4.60 119.66 118.27 1r0s s GLN 66 Ca 0.25 2.16 0.08 0.00 -2.00 0.00 0.00 55.36 55.86 1r0s s GLN 66 Cb 0.20 -3.22 -0.04 0.00 0.80 0.00 0.00 33.01 30.75 1r0s s GLN 66 CO 0.49 -0.48 -0.04 -0.65 -0.50 0.00 0.00 175.29 174.11 1r0s s GLN 67 N 1.07 2.26 0.17 1.67 -0.21 -1.26 -4.98 119.66 118.37 1r0s s GLN 67 Ca 0.66 -1.20 -0.30 0.00 0.02 0.00 0.00 55.36 54.54 1r0s s GLN 67 Cb -0.39 -2.26 -0.07 0.00 1.00 0.00 0.00 33.01 31.28 1r0s s GLN 67 CO 0.31 0.44 1.13 -1.14 -2.12 0.00 0.00 175.29 173.91 1r0s s GLN 68 N -2.98 4.55 0.03 2.91 0.74 -1.26 -4.98 119.66 118.67 1r0s s GLN 68 Ca 0.27 1.76 -0.00 0.00 0.05 0.00 0.00 55.36 57.44 1r0s s GLN 68 Cb -0.09 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 1r0s s GLN 68 CO 0.17 0.00 0.14 -0.51 -0.55 0.00 0.00 175.29 174.54 1r0s s LEU 69 N -0.20 4.12 0.16 3.68 1.43 -1.26 -4.52 118.68 122.09 1r0s s LEU 69 Ca 0.51 0.20 -0.32 0.00 -1.03 0.00 0.00 54.13 53.49 1r0s s LEU 69 Cb -0.30 -2.58 -0.11 0.00 0.03 0.00 0.00 46.19 43.24 1r0s s LEU 69 CO 0.35 0.22 1.67 -2.16 0.23 0.00 0.00 176.35 176.66 1r0s s PRO 70 N -2.11 4.17 0.29 1.29 0.04 -1.26 -4.78 135.00 132.64 1r0s s PRO 70 Ca 0.28 2.47 -0.29 0.00 0.04 0.00 0.00 61.00 63.50 1r0s s PRO 70 Cb -0.12 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.07 1r0s s PRO 70 CO 0.20 -0.70 1.43 0.21 0.04 0.00 0.00 177.00 178.18 1r0s s LYS 71 N 1.54 4.25 -0.77 4.56 2.20 -1.26 -2.81 119.74 127.46 1r0s s LYS 71 Ca 0.74 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.69 1r0s s LYS 71 Cb -0.46 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1r0s s LYS 71 CO 0.32 -0.40 0.00 0.09 -0.36 0.00 0.00 175.35 175.00 1r0s n ASN 72 N 1.70 -5.05 0.00 1.43 3.02 -0.84 -4.84 115.26 110.68 1r0s n ASN 72 Ca 0.04 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1r0s n ASN 72 Cb 0.40 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.39 1r0s n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1r0s n LYS 73 N -1.22 -0.83 -2.43 3.52 5.02 -1.12 -4.77 118.16 116.33 1r0s n LYS 73 Ca -0.07 -0.49 -0.42 0.00 -2.02 0.00 0.00 58.31 55.31 1r0s n LYS 73 Cb 0.43 -0.96 -0.03 0.00 -0.02 0.00 0.00 35.03 34.45 1r0s n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r0s s VAL 74 N -0.03 3.94 0.01 -0.18 1.01 -1.26 -1.10 120.40 122.80 1r0s s VAL 74 Ca 0.00 1.46 0.06 0.00 0.00 0.00 0.00 61.98 63.49 1r0s s VAL 74 Cb 0.00 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1r0s s VAL 74 CO 0.00 0.15 -0.17 -0.32 0.00 0.00 0.00 175.10 174.76 1r0s s MET 75 N 0.67 1.27 0.20 2.72 0.00 -0.77 -0.94 119.30 122.46 1r0s s MET 75 Ca 0.57 -0.70 0.10 0.00 0.00 0.00 0.00 55.69 55.65 1r0s s MET 75 Cb -0.30 -1.27 -0.04 0.00 0.00 0.00 0.00 34.83 33.21 1r0s s MET 75 CO 0.31 0.34 -0.15 -0.06 0.00 0.00 0.00 175.02 175.46 1r0s s PHE 76 N -0.57 2.49 0.01 4.11 0.08 0.25 -4.32 117.98 120.04 1r0s s PHE 76 Ca 0.06 -0.28 -0.07 0.00 0.12 0.00 0.00 56.93 56.76 1r0s s PHE 76 Cb -0.07 -1.20 -0.00 0.00 -0.57 0.00 0.00 43.02 41.18 1r0s s PHE 76 CO 0.00 0.54 0.12 1.67 -0.10 0.00 0.00 175.22 177.45 1r0s s TRP 77 N -1.82 0.09 -0.04 0.36 1.48 -1.26 -1.41 118.94 116.33 1r0s s TRP 77 Ca 0.24 -0.24 -0.02 0.00 -1.06 0.00 0.00 56.10 55.03 1r0s s TRP 77 Cb -0.08 -0.08 0.03 0.00 -1.16 0.00 0.00 33.47 32.19 1r0s s TRP 77 CO 0.14 -0.30 0.05 -1.12 -4.06 0.00 0.00 176.95 171.65 1r0s s SER 78 N -1.56 1.00 0.00 -2.66 0.01 0.88 -4.87 113.70 106.50 1r0s s SER 78 Ca -0.13 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1r0s s SER 78 Cb -0.06 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1r0s s SER 78 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1r0s n GLY 79 N 5.08 0.34 2.58 3.44 0.00 -1.26 -2.43 105.19 112.93 1r0s n GLY 79 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1r0s n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r0s n VAL 80 N -2.31 1.26 -0.06 1.61 0.24 -1.26 -4.76 118.33 113.04 1r0s n VAL 80 Ca 0.00 -3.78 -0.06 0.00 -2.04 0.00 0.00 64.34 58.47 1r0s n VAL 80 Cb 0.16 0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.52 1r0s n VAL 80 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1r0s h TYR 81 N 2.90 -0.70 -0.66 6.34 5.03 -1.96 -1.71 116.97 126.22 1r0s h TYR 81 Ca 0.02 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.40 1r0s h TYR 81 Cb 1.07 0.33 -0.04 0.00 1.55 0.00 0.00 36.73 39.63 1r0s h TYR 81 CO 0.58 -0.20 0.41 -0.44 -1.32 0.00 0.00 178.16 177.19 1r0s h ASP 82 N -0.15 0.66 -0.15 -2.11 3.32 -1.99 -1.93 116.42 114.06 1r0s h ASP 82 Ca 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1r0s h ASP 82 Cb 0.24 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1r0s h ASP 82 CO -0.25 0.45 0.04 -0.33 -1.72 0.00 0.00 179.24 177.44 1r0s h GLU 83 N 0.79 0.24 -0.64 3.56 3.07 -1.96 0.56 114.58 120.19 1r0s h GLU 83 Ca 0.27 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.01 1r0s h GLU 83 Cb 0.04 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 1r0s h GLU 83 CO -0.11 0.37 0.14 0.00 -1.40 0.00 0.00 179.01 178.01 1r0s h ALA 84 N 0.85 0.85 -0.10 3.43 0.00 -1.18 -0.80 119.26 122.31 1r0s h ALA 84 Ca 0.05 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1r0s h ALA 84 Cb 0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1r0s h ALA 84 CO -0.00 0.58 -0.72 0.45 0.00 0.00 0.00 179.25 179.56 1r0s h HIS 85 N 0.96 0.64 -0.77 0.00 3.86 -1.32 -0.69 115.15 117.84 1r0s h HIS 85 Ca 0.20 -0.28 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1r0s h HIS 85 Cb 0.38 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 1r0s h HIS 85 CO 0.03 1.04 0.40 -0.44 0.86 0.00 0.00 177.93 179.82 1r0s h ASP 86 N 0.33 0.98 -0.27 2.45 3.32 -0.77 -1.33 116.42 121.12 1r0s h ASP 86 Ca -0.03 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 56.75 1r0s h ASP 86 Cb 1.30 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1r0s h ASP 86 CO 0.13 0.82 -0.44 0.22 -1.72 0.00 0.00 179.24 178.24 1r0s h TYR 87 N 1.07 0.97 -0.20 4.55 3.20 -1.07 -3.02 116.97 122.48 1r0s h TYR 87 Ca 0.27 -0.33 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1r0s h TYR 87 Cb 0.08 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1r0s h TYR 87 CO 0.01 1.13 0.07 0.00 -1.64 0.00 0.00 178.16 177.73 1r0s h ALA 88 N 0.67 1.75 -5.58 1.82 0.00 -0.89 -3.44 119.26 113.60 1r0s h ALA 88 Ca 0.02 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 1r0s h ALA 88 Cb 1.04 -0.09 0.12 0.00 0.00 0.00 0.00 17.79 18.86 1r0s h ALA 88 CO 0.10 0.20 -0.63 -1.71 0.00 0.00 0.00 179.25 177.22 1r0s n ASN 89 N -4.44 -6.76 -3.96 0.00 2.85 -0.52 -0.09 115.26 102.33 1r0s n ASN 89 Ca -0.00 -0.57 -0.27 0.00 -0.11 0.00 0.00 54.58 53.63 1r0s n ASN 89 Cb 0.13 -4.87 -0.02 0.00 1.24 0.00 0.00 39.78 36.25 1r0s n ASN 89 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1r0s n THR 90 N -2.91 -3.13 -0.90 -0.44 -1.04 -1.26 -1.30 114.28 103.30 1r0s n THR 90 Ca -0.06 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1r0s n THR 90 Cb 0.58 -2.66 0.00 0.00 -1.82 0.00 0.00 70.33 66.44 1r0s n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r0s n GLY 91 N -2.01 0.64 0.15 3.41 0.00 -0.96 -4.87 105.19 101.55 1r0s n GLY 91 Ca -0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1r0s n GLY 91 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1r0s h ARG 92 N 1.84 0.52 0.00 1.61 0.11 -1.05 -3.40 114.38 114.01 1r0s h ARG 92 Ca 0.00 -0.79 -0.44 0.00 0.10 0.00 0.00 59.98 58.85 1r0s h ARG 92 Cb 0.07 0.28 -0.07 0.00 1.11 0.00 0.00 29.97 31.36 1r0s h ARG 92 CO 0.00 1.36 -2.49 1.17 0.10 0.00 0.00 179.97 180.11 1r0s n LYS 93 N -3.72 0.60 -4.12 0.08 4.81 0.87 -5.04 118.16 111.65 1r0s n LYS 93 Ca -0.14 0.25 -0.08 0.00 -0.87 0.00 0.00 58.31 57.47 1r0s n LYS 93 Cb 1.03 -1.51 -0.10 0.00 0.02 0.00 0.00 35.03 34.47 1r0s n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1r0s s TYR 94 N -2.51 0.70 -0.12 5.64 2.02 -0.81 -4.88 117.35 117.39 1r0s s TYR 94 Ca -0.38 -1.15 -0.05 0.00 -0.37 0.00 0.00 57.07 55.12 1r0s s TYR 94 Cb 0.13 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 41.22 1r0s s TYR 94 CO 0.52 -0.46 0.09 0.42 -1.57 0.00 0.00 175.55 174.55 1r0s s ILE 95 N -3.99 5.05 0.41 2.71 -1.09 -0.26 -2.26 121.20 121.77 1r0s s ILE 95 Ca 0.16 0.04 0.07 0.00 -2.23 0.00 0.00 60.65 58.69 1r0s s ILE 95 Cb 0.08 -3.19 -0.06 0.00 -1.58 0.00 0.00 42.46 37.71 1r0s s ILE 95 CO -0.04 0.60 0.09 0.42 -1.23 0.00 0.00 174.94 174.78 1r0s s THR 96 N -0.83 2.19 0.42 2.92 -4.23 -1.26 -1.85 115.64 113.00 1r0s s THR 96 Ca 0.13 -1.85 0.09 0.00 -1.18 0.00 0.00 61.69 58.88 1r0s s THR 96 Cb -0.12 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 71.02 1r0s s THR 96 CO 0.03 -0.01 2.03 0.25 -0.54 0.00 0.00 174.62 176.38 1r0s h LEU 97 N 1.61 0.44 -0.04 4.79 5.85 -1.97 -1.08 115.31 124.90 1r0s h LEU 97 Ca -0.43 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1r0s h LEU 97 Cb 1.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1r0s h LEU 97 CO 0.75 0.30 0.00 -0.62 -0.34 0.00 0.00 178.44 178.53 1r0s n GLU 98 N -4.48 0.01 0.02 1.25 4.71 -1.26 -1.92 120.64 118.98 1r0s n GLU 98 Ca 0.05 0.23 0.11 0.00 -0.01 0.00 0.00 57.16 57.55 1r0s n GLU 98 Cb 0.16 -1.52 0.03 0.00 -1.01 0.00 0.00 31.44 29.11 1r0s n GLU 98 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1r0s n ASP 99 N -1.54 0.63 -4.88 1.62 8.00 -0.41 -2.34 116.55 117.62 1r0s n ASP 99 Ca 0.04 -0.25 -0.30 0.00 0.71 0.00 0.00 54.79 54.99 1r0s n ASP 99 Cb 0.19 0.76 0.02 0.00 -0.02 0.00 0.00 41.12 42.07 1r0s n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1r0s s THR 100 N -3.17 4.46 0.12 -3.53 -4.23 -0.81 -4.76 115.64 103.71 1r0s s THR 100 Ca 0.04 0.63 -0.31 0.00 -1.18 0.00 0.00 61.69 60.88 1r0s s THR 100 Cb 0.15 -3.77 -0.09 0.00 1.34 0.00 0.00 72.50 70.13 1r0s s THR 100 CO 0.80 -0.96 1.58 0.25 -0.54 0.00 0.00 174.62 175.74 1r0s h LEU 101 N -0.28 -1.40 -1.09 4.79 5.85 -1.86 0.42 115.31 121.75 1r0s h LEU 101 Ca -0.45 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1r0s h LEU 101 Cb 1.21 0.55 -0.04 0.00 0.37 0.00 0.00 40.66 42.75 1r0s h LEU 101 CO 0.62 -0.47 0.44 1.55 -0.34 0.00 0.00 178.44 180.24 1r0s h PRO 102 N -0.59 1.07 -0.11 5.25 0.13 -1.89 -1.80 132.00 134.07 1r0s h PRO 102 Ca 0.04 -0.11 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 1r0s h PRO 102 Cb 0.67 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 1r0s h PRO 102 CO -0.35 0.77 -0.11 0.78 -0.23 0.00 0.00 178.00 178.86 1r0s h GLY 103 N 1.11 0.30 0.55 1.56 0.00 -1.48 -2.40 103.07 102.72 1r0s h GLY 103 Ca 0.28 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.37 1r0s h GLY 103 CO -0.05 0.28 0.24 -1.82 0.00 0.00 0.00 176.54 175.19 1r0s h TYR 104 N -0.13 0.44 -0.28 5.60 5.03 0.22 0.23 116.97 128.09 1r0s h TYR 104 Ca 0.02 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1r0s h TYR 104 Cb 0.63 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 1r0s h TYR 104 CO 0.09 0.17 0.08 0.52 -1.32 0.00 0.00 178.16 177.69 1r0s h MET 105 N 0.46 0.44 -0.01 1.82 2.86 -1.31 -3.29 114.93 115.89 1r0s h MET 105 Ca 0.27 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1r0s h MET 105 Cb 0.26 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1r0s h MET 105 CO -0.23 0.51 -0.47 1.28 1.06 0.00 0.00 176.91 179.06 1r0s n LEU 106 N -4.70 1.53 -4.64 1.22 7.99 -0.91 -4.77 117.00 112.72 1r0s n LEU 106 Ca -0.03 -0.54 -0.46 0.00 -0.01 0.00 0.00 56.01 54.97 1r0s n LEU 106 Cb 0.17 -0.05 -0.03 0.00 -0.11 0.00 0.00 43.42 43.40 1r0s n LEU 106 CO 0.37 0.30 0.96 -3.20 -1.51 0.00 0.00 177.39 174.30 1r0s n ASN 107 N -0.45 2.41 0.00 -1.43 5.15 0.81 -1.00 115.26 120.74 1r0s n ASN 107 Ca 0.09 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.21 1r0s n ASN 107 Cb 0.41 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.29 1r0s n ASN 107 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1r0s n SER 108 N 2.30 -0.17 -4.87 1.20 7.64 -1.26 -4.99 113.62 113.47 1r0s n SER 108 Ca 0.13 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.71 1r0s n SER 108 Cb 0.29 -1.69 -0.03 0.00 -1.01 0.00 0.00 64.21 61.77 1r0s n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1r0s s LEU 109 N 0.00 3.80 -0.04 -3.43 1.43 -0.17 -5.01 118.68 115.25 1r0s s LEU 109 Ca 0.00 1.16 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 1r0s s LEU 109 Cb 0.00 -4.05 0.01 0.00 0.03 0.00 0.00 46.19 42.18 1r0s s LEU 109 CO 0.00 -0.43 -0.12 -0.69 0.23 0.00 0.00 176.35 175.34 1r0s s VAL 110 N -2.42 1.07 0.18 -1.59 1.01 -1.26 -4.96 120.40 112.43 1r0s s VAL 110 Ca 0.52 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 1r0s s VAL 110 Cb -0.10 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.38 1r0s s VAL 110 CO 0.32 0.33 0.63 -1.66 0.00 0.00 0.00 175.10 174.72 1r0s s TRP 111 N 0.34 -0.46 -0.05 5.22 -2.14 -1.26 -0.36 118.94 120.22 1r0s s TRP 111 Ca -0.08 0.21 -0.29 0.00 2.66 0.00 0.00 56.10 58.60 1r0s s TRP 111 Cb -0.12 0.59 0.10 0.00 -3.10 0.00 0.00 33.47 30.93 1r0s s TRP 111 CO 0.02 -0.92 0.81 0.00 -2.66 0.00 0.00 176.95 174.20 1r0s s GLY 113 N -1.65 1.72 -0.08 0.00 0.00 -1.26 -0.99 107.32 105.07 1r0s s GLY 113 Ca -0.03 -1.11 -0.28 0.00 0.00 0.00 0.00 44.72 43.30 1r0s s GLY 113 CO 0.00 -0.66 0.64 -0.86 0.00 0.00 0.00 173.10 172.22 1r0s s GLN 114 N -5.25 0.97 0.09 2.90 -2.07 -0.07 -3.17 119.66 113.06 1r0s s GLN 114 Ca 0.62 0.34 -0.17 0.00 -1.82 0.00 0.00 55.36 54.34 1r0s s GLN 114 Cb -0.09 0.46 -0.09 0.00 -1.09 0.00 0.00 33.01 32.20 1r0s s GLN 114 CO 0.45 -0.27 1.44 0.00 -1.32 0.00 0.00 175.29 175.59 1r0s h ARG 115 N 3.49 0.59 -7.09 9.60 3.08 -1.77 -2.70 114.38 119.58 1r0s h ARG 115 Ca -0.28 -0.27 -0.51 0.00 0.07 0.00 0.00 59.98 59.00 1r0s h ARG 115 Cb 1.15 -0.01 0.08 0.00 0.08 0.00 0.00 29.97 31.27 1r0s h ARG 115 CO 0.33 0.85 0.44 0.00 -1.07 0.00 0.00 179.97 180.52 1r0s s ALA 116 N -4.53 2.67 0.57 0.04 0.00 -1.26 -4.60 121.76 114.65 1r0s s ALA 116 Ca -0.13 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.50 1r0s s ALA 116 Cb 0.08 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 1r0s s ALA 116 CO 0.79 -0.84 0.86 0.09 0.00 0.00 0.00 175.76 176.67 1r0s n ASN 117 N -1.34 0.37 -0.47 0.00 3.02 -1.26 -0.82 115.26 114.75 1r0s n ASN 117 Ca 0.12 0.81 0.01 0.00 -0.03 0.00 0.00 54.58 55.49 1r0s n ASN 117 Cb 0.51 -1.33 0.03 0.00 -0.61 0.00 0.00 39.78 38.38 1r0s n ASN 117 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1r0s n PRO 118 N -0.64 1.27 0.00 3.52 -0.04 -1.26 -4.88 135.00 132.97 1r0s n PRO 118 Ca 0.13 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1r0s n PRO 118 Cb 0.46 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1r0s n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r0s n GLY 119 N 0.21 1.82 3.17 0.55 0.00 0.00 -4.83 105.19 106.10 1r0s n GLY 119 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1r0s n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r0s s PHE 120 N -2.33 1.02 -0.35 1.61 -0.71 -1.26 -1.84 117.98 114.12 1r0s s PHE 120 Ca 0.00 -0.66 -0.15 0.00 -1.04 0.00 0.00 56.93 55.08 1r0s s PHE 120 Cb 0.00 -0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 41.24 1r0s s PHE 120 CO 0.00 -0.02 0.35 1.21 -1.34 0.00 0.00 175.22 175.42 1r0s s ASN 121 N -2.42 6.16 0.00 1.98 3.84 -0.16 -4.75 114.94 119.60 1r0s s ASN 121 Ca 0.05 -0.31 0.22 0.00 0.21 0.00 0.00 52.86 53.03 1r0s s ASN 121 Cb -0.03 -2.19 0.62 0.00 -0.55 0.00 0.00 41.25 39.10 1r0s s ASN 121 CO -0.00 -0.34 1.49 -0.62 -2.79 0.00 0.00 177.10 174.83 1r0s n GLU 122 N 5.35 2.01 -0.05 0.43 1.02 -1.26 -4.38 120.64 123.77 1r0s n GLU 122 Ca -0.09 -1.52 -0.07 0.00 -0.02 0.00 0.00 57.16 55.45 1r0s n GLU 122 Cb 0.49 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 30.43 1r0s n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r0s n LYS 123 N 0.75 0.24 -3.72 3.49 5.02 -1.26 -4.70 118.16 117.98 1r0s n LYS 123 Ca 0.17 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.39 1r0s n LYS 123 Cb 0.43 -1.15 -0.10 0.00 -0.02 0.00 0.00 35.03 34.19 1r0s n LYS 123 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1r0s s VAL 124 N -2.20 0.01 0.11 -0.18 0.11 -1.26 -4.40 120.40 112.59 1r0s s VAL 124 Ca -0.13 -0.06 0.10 0.00 -2.93 0.00 0.00 61.98 58.96 1r0s s VAL 124 Cb 0.04 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1r0s s VAL 124 CO 0.22 -0.03 -0.24 0.00 -3.33 0.00 0.00 175.10 171.72 1r0s n PRO 126 N 1.02 0.33 0.00 0.00 -0.02 -1.26 -1.90 135.00 133.16 1r0s n PRO 126 Ca -0.17 0.15 0.03 0.00 -2.02 0.00 0.00 63.50 61.49 1r0s n PRO 126 Cb 0.53 -1.84 0.19 0.00 -0.02 0.00 0.00 33.50 32.36 1r0s n PRO 126 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r0s n ASP 127 N -0.29 0.00 0.00 2.55 8.00 -1.26 -4.28 116.55 121.26 1r0s n ASP 127 Ca 0.10 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1r0s n ASP 127 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1r0s n ASP 127 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1r0s n PHE 128 N -0.64 0.00 0.55 1.24 3.01 -1.26 -4.14 117.46 116.22 1r0s n PHE 128 Ca 0.05 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.56 1r0s n PHE 128 Cb 0.02 -0.12 0.28 0.00 -0.01 0.00 0.00 39.48 39.65 1r0s n PHE 128 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1r0s n LYS 129 N -0.23 0.24 -0.06 -1.08 2.85 -1.26 -1.00 118.16 117.61 1r0s n LYS 129 Ca 0.00 0.09 -0.02 0.00 -1.05 0.00 0.00 58.31 57.33 1r0s n LYS 129 Cb 0.00 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 32.73 1r0s n LYS 129 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1r0s n THR 130 N -1.13 0.79 -2.86 0.58 -2.24 -1.26 -4.96 114.28 103.20 1r0s n THR 130 Ca 0.06 -0.66 -0.33 0.00 -2.27 0.00 0.00 64.05 60.85 1r0s n THR 130 Cb 0.05 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 1r0s n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r0s s PRO 132 N -3.28 -2.82 0.11 0.00 0.04 -1.26 -4.65 135.00 123.14 1r0s s PRO 132 Ca 0.59 0.14 -0.15 0.00 0.04 0.00 0.00 61.00 61.61 1r0s s PRO 132 Cb -0.10 -1.39 -0.04 0.00 0.04 0.00 0.00 34.50 33.01 1r0s s PRO 132 CO 0.18 -4.81 1.53 -0.24 0.04 0.00 0.00 177.00 173.71 1r0s h VAL 133 N -3.37 1.27 0.00 -0.36 3.04 -1.96 -2.24 116.25 112.64 1r0s h VAL 133 Ca -0.44 -1.07 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 1r0s h VAL 133 Cb 1.34 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.86 1r0s h VAL 133 CO 0.29 0.35 0.00 0.00 -1.01 0.00 0.00 177.57 177.20 1r0s n GLN 134 N -4.44 0.13 -0.08 4.17 0.00 -1.26 -1.61 117.38 114.29 1r0s n GLN 134 Ca -0.02 0.54 -0.22 0.00 0.00 0.00 0.00 57.00 57.31 1r0s n GLN 134 Cb 0.31 -1.86 -0.12 0.00 0.00 0.00 0.00 30.24 28.57 1r0s n GLN 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1r0s n ALA 135 N -1.73 1.10 -0.14 2.61 0.00 -1.15 -3.23 120.51 117.98 1r0s n ALA 135 Ca 0.00 -0.83 0.09 0.00 0.00 0.00 0.00 53.44 52.70 1r0s n ALA 135 Cb 0.10 -0.34 0.41 0.00 0.00 0.00 0.00 19.45 19.62 1r0s n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r0s h ARG 136 N -0.30 0.60 -0.57 0.00 3.08 -0.88 -2.55 114.38 113.76 1r0s h ARG 136 Ca -0.51 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.50 1r0s h ARG 136 Cb 1.81 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.72 1r0s h ARG 136 CO -0.10 0.40 0.00 0.39 -1.07 0.00 0.00 179.97 179.58 1r0s n GLU 137 N -4.48 3.16 -0.13 0.04 1.02 -0.63 -4.59 120.64 115.03 1r0s n GLU 137 Ca 0.10 -2.62 -0.06 0.00 -0.02 0.00 0.00 57.16 54.56 1r0s n GLU 137 Cb 0.28 -1.64 0.03 0.00 -0.02 0.00 0.00 31.44 30.09 1r0s n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1r0s h SER 138 N 3.49 0.22 0.11 1.62 0.87 -1.42 -0.49 113.55 117.95 1r0s h SER 138 Ca 0.00 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1r0s h SER 138 Cb 1.14 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1r0s h SER 138 CO 0.10 0.17 -0.05 0.15 -0.53 0.00 0.00 176.83 176.67 1r0s h PHE 139 N 0.36 -0.13 0.00 2.24 3.57 -1.81 -2.62 116.94 118.55 1r0s h PHE 139 Ca 0.18 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1r0s h PHE 139 Cb 0.13 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1r0s h PHE 139 CO -0.13 -0.08 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.34 1r0s h TRP 140 N -0.41 0.00 -0.07 0.41 4.06 -1.88 0.75 115.95 118.81 1r0s h TRP 140 Ca -0.01 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 1r0s h TRP 140 Cb 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 1r0s h TRP 140 CO 0.04 0.04 -0.32 0.78 -3.56 0.00 0.00 178.44 175.43 1r0s h GLY 141 N 1.39 0.37 1.71 1.49 0.00 -1.21 0.31 103.07 107.13 1r0s h GLY 141 Ca -0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1r0s h GLY 141 CO 0.01 0.46 -0.50 1.98 0.00 0.00 0.00 176.54 178.49 1r0s h MET 142 N -0.16 0.31 -0.23 4.80 1.85 -1.19 -1.03 114.93 119.28 1r0s h MET 142 Ca -0.02 -0.18 -0.00 0.00 -0.61 0.00 0.00 59.70 58.89 1r0s h MET 142 Cb 0.97 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.00 1r0s h MET 142 CO 0.07 0.74 0.14 0.00 -0.40 0.00 0.00 176.91 177.46 1r0s h ALA 143 N 1.23 0.30 -0.63 0.39 0.00 -0.74 0.13 119.26 119.93 1r0s h ALA 143 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1r0s h ALA 143 Cb 0.97 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1r0s h ALA 143 CO 0.08 -0.19 0.26 0.77 0.00 0.00 0.00 179.25 180.17 1r0s h SER 144 N 0.28 0.87 -0.19 0.00 0.02 -0.31 -0.64 113.55 113.57 1r0s h SER 144 Ca 0.08 -0.17 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 1r0s h SER 144 Cb 0.04 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1r0s h SER 144 CO -0.01 0.79 -0.27 0.28 -1.14 0.00 0.00 176.83 176.48 1r0s h SER 145 N 0.88 0.69 -0.14 3.07 0.02 -0.77 0.21 113.55 117.51 1r0s h SER 145 Ca 0.21 -0.26 -0.21 0.00 -0.84 0.00 0.00 61.79 60.69 1r0s h SER 145 Cb 0.19 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1r0s h SER 145 CO -0.02 0.93 -0.73 -1.28 -1.14 0.00 0.00 176.83 174.60 1r0s h SER 146 N 0.58 0.88 -0.41 3.07 0.87 -0.64 -1.57 113.55 116.32 1r0s h SER 146 Ca 0.07 -0.64 -0.02 0.00 -1.23 0.00 0.00 61.79 59.97 1r0s h SER 146 Cb 0.77 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1r0s h SER 146 CO 0.06 1.37 0.16 0.22 -0.53 0.00 0.00 176.83 178.11 1r0s h TYR 147 N 0.44 0.63 -0.65 2.24 3.20 -1.04 -2.48 116.97 119.31 1r0s h TYR 147 Ca -0.05 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.68 1r0s h TYR 147 Cb 1.36 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 1r0s h TYR 147 CO 0.09 0.56 0.07 0.00 -1.64 0.00 0.00 178.16 177.24 1r0s h ALA 148 N 1.01 0.89 -0.94 1.82 0.00 -0.94 -2.33 119.26 118.76 1r0s h ALA 148 Ca 0.14 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1r0s h ALA 148 Cb 0.20 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1r0s h ALA 148 CO -0.01 0.67 0.60 1.25 0.00 0.00 0.00 179.25 181.77 1r0s h HIS 149 N 1.02 1.04 -0.00 0.00 -0.00 -1.03 -2.63 115.15 113.54 1r0s h HIS 149 Ca 0.19 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 1r0s h HIS 149 Cb 0.49 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 1r0s h HIS 149 CO 0.04 0.46 -0.18 0.43 -0.00 0.00 0.00 177.93 178.67 1r0s n SER 150 N -4.56 0.56 -4.76 3.26 7.64 -0.93 -4.64 113.62 110.20 1r0s n SER 150 Ca 0.17 -0.51 -0.38 0.00 1.01 0.00 0.00 58.87 59.16 1r0s n SER 150 Cb 0.32 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.52 1r0s n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r0s s ALA 151 N -2.59 2.90 0.02 -0.43 0.00 -0.92 -4.35 121.76 116.38 1r0s s ALA 151 Ca 0.24 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.35 1r0s s ALA 151 Cb 0.19 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1r0s s ALA 151 CO 0.52 -1.00 -0.06 -1.21 0.00 0.00 0.00 175.76 174.01 1r0s s GLU 152 N -2.80 0.43 6.03 0.00 2.02 -1.26 -4.40 118.70 118.72 1r0s s GLU 152 Ca 0.67 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1r0s s GLU 152 Cb -0.34 -0.31 0.00 0.00 0.10 0.00 0.00 34.13 33.58 1r0s s GLU 152 CO 0.41 0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.17 1r0s n GLY 153 N 2.27 2.32 3.68 -1.39 0.00 0.42 -1.99 105.19 110.51 1r0s n GLY 153 Ca -0.18 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1r0s n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r0s s GLU 154 N 0.00 4.38 0.00 1.61 2.02 -1.26 -1.46 118.70 123.99 1r0s s GLU 154 Ca 0.00 1.49 0.01 0.00 0.02 0.00 0.00 54.97 56.49 1r0s s GLU 154 Cb 0.00 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 1r0s s GLU 154 CO 0.00 -0.40 0.04 0.14 0.02 0.00 0.00 175.26 175.06 1r0s s VAL 155 N 2.22 4.39 -0.06 2.63 -7.23 0.29 -3.98 120.40 118.66 1r0s s VAL 155 Ca 0.51 -0.54 0.03 0.00 -1.81 0.00 0.00 61.98 60.16 1r0s s VAL 155 Cb -0.20 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.72 1r0s s VAL 155 CO 0.18 0.35 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.31 1r0s s THR 156 N -1.15 3.28 -0.20 5.32 2.01 -0.11 -0.13 115.64 124.66 1r0s s THR 156 Ca 0.21 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 1r0s s THR 156 Cb -0.12 -2.31 0.06 0.00 0.01 0.00 0.00 72.50 70.14 1r0s s THR 156 CO 0.12 0.59 -0.01 -0.47 -0.69 0.00 0.00 174.62 174.16 1r0s s TYR 157 N -0.74 1.65 -0.20 4.92 5.04 0.11 0.88 117.35 129.01 1r0s s TYR 157 Ca 0.11 -1.22 -0.09 0.00 -2.44 0.00 0.00 57.07 53.43 1r0s s TYR 157 Cb -0.11 -1.28 -0.05 0.00 0.35 0.00 0.00 41.96 40.88 1r0s s TYR 157 CO 0.01 -0.67 0.12 1.41 -1.34 0.00 0.00 175.55 175.08 1r0s s MET 158 N 1.65 4.15 0.16 4.97 -2.45 -0.50 -0.11 119.30 127.16 1r0s s MET 158 Ca -0.02 -0.25 0.04 0.00 -1.25 0.00 0.00 55.69 54.21 1r0s s MET 158 Cb -0.17 -3.38 -0.05 0.00 1.25 0.00 0.00 34.83 32.48 1r0s s MET 158 CO -0.07 0.29 -0.07 0.14 1.05 0.00 0.00 175.02 176.36 1r0s s VAL 159 N 0.37 1.05 -0.33 10.11 -7.23 -0.41 -0.08 120.40 123.88 1r0s s VAL 159 Ca 0.07 -2.04 -0.22 0.00 -1.81 0.00 0.00 61.98 57.98 1r0s s VAL 159 Cb -0.11 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.88 1r0s s VAL 159 CO -0.01 -0.65 0.74 -0.62 -0.31 0.00 0.00 175.10 174.24 1r0s s ASP 160 N -3.18 6.57 -0.18 4.85 -1.08 -1.02 -0.86 116.67 121.77 1r0s s ASP 160 Ca 0.19 0.47 0.16 0.00 -0.52 0.00 0.00 52.55 52.85 1r0s s ASP 160 Cb 0.04 -2.38 0.77 0.00 -1.46 0.00 0.00 42.92 39.89 1r0s s ASP 160 CO 0.02 -0.62 1.69 0.61 0.52 0.00 0.00 175.17 177.39 1r0s n GLY 161 N 4.39 2.84 0.43 2.66 0.00 -0.34 -4.15 105.19 111.03 1r0s n GLY 161 Ca 0.02 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 45.22 1r0s n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r0s n SER 162 N 0.84 1.45 -4.19 1.61 7.64 -1.24 -1.04 113.62 118.69 1r0s n SER 162 Ca 0.27 -2.82 -0.38 0.00 1.01 0.00 0.00 58.87 56.95 1r0s n SER 162 Cb 1.06 -0.37 -0.11 0.00 -1.01 0.00 0.00 64.21 63.78 1r0s n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1r0s s ASN 163 N -2.33 5.36 0.00 6.43 3.84 -1.26 -4.80 114.94 122.17 1r0s s ASN 163 Ca 0.25 -1.68 0.06 0.00 0.21 0.00 0.00 52.86 51.70 1r0s s ASN 163 Cb 0.23 -1.88 0.31 0.00 -0.55 0.00 0.00 41.25 39.37 1r0s s ASN 163 CO -0.02 -0.49 1.05 -0.81 -2.79 0.00 0.00 177.10 174.03 1r0s n PRO 164 N 4.74 0.09 -0.00 0.43 -0.04 -1.26 -1.97 135.00 136.98 1r0s n PRO 164 Ca -0.08 0.23 0.04 0.00 -0.04 0.00 0.00 63.50 63.65 1r0s n PRO 164 Cb 0.42 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 1r0s n PRO 164 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r0s n LYS 165 N -1.29 3.07 -3.72 0.54 5.02 -1.26 -4.94 118.16 115.59 1r0s n LYS 165 Ca 0.03 -0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1r0s n LYS 165 Cb 0.05 -0.99 -0.16 0.00 -0.02 0.00 0.00 35.03 33.91 1r0s n LYS 165 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r0s s VAL 166 N -2.04 0.53 0.62 -0.18 1.01 -0.83 -5.12 120.40 114.39 1r0s s VAL 166 Ca 0.01 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 1r0s s VAL 166 Cb 0.06 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 1r0s s VAL 166 CO 0.36 -0.35 0.67 -2.65 0.00 0.00 0.00 175.10 173.12 1r0s n PRO 167 N 5.03 0.56 -0.13 2.72 -0.02 -1.26 -4.59 135.00 137.31 1r0s n PRO 167 Ca -0.07 0.23 -0.05 0.00 -2.02 0.00 0.00 63.50 61.59 1r0s n PRO 167 Cb 0.46 -1.89 0.04 0.00 -0.02 0.00 0.00 33.50 32.09 1r0s n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r0s h ALA 168 N 0.13 0.48 -3.45 3.55 0.00 -1.90 -3.40 119.26 114.67 1r0s h ALA 168 Ca -0.46 0.06 -0.67 0.00 0.00 0.00 0.00 54.91 53.84 1r0s h ALA 168 Cb 1.38 0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.94 1r0s h ALA 168 CO 0.47 -0.27 -0.79 -0.47 0.00 0.00 0.00 179.25 178.18 1r0s s TYR 169 N -6.15 2.73 -0.01 0.00 5.04 -1.26 -4.74 117.35 112.96 1r0s s TYR 169 Ca -0.13 -0.67 0.03 0.00 -2.44 0.00 0.00 57.07 53.86 1r0s s TYR 169 Cb 0.13 -1.78 -0.01 0.00 0.35 0.00 0.00 41.96 40.66 1r0s s TYR 169 CO 0.72 -0.20 -0.09 1.03 -1.34 0.00 0.00 175.55 175.66 1r0s s ARG 170 N 0.19 0.75 0.46 4.97 0.52 -1.26 -4.78 118.95 119.79 1r0s s ARG 170 Ca -0.09 -0.34 0.23 0.00 -0.52 0.00 0.00 55.73 55.01 1r0s s ARG 170 Cb -0.16 -0.73 1.09 0.00 0.52 0.00 0.00 34.95 35.68 1r0s s ARG 170 CO 0.06 0.20 1.92 -1.35 0.02 0.00 0.00 175.30 176.15 1r0s h PRO 171 N 5.90 0.00 -0.73 3.54 0.11 -1.99 -2.74 132.00 136.08 1r0s h PRO 171 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1r0s h PRO 171 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1r0s h PRO 171 CO 0.49 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 1r0s n ASP 172 N -3.64 3.95 -4.79 -2.05 5.75 -1.26 -2.10 116.55 112.42 1r0s n ASP 172 Ca -0.01 -2.00 -0.29 0.00 -0.01 0.00 0.00 54.79 52.48 1r0s n ASP 172 Cb 0.35 -0.48 0.13 0.00 -1.03 0.00 0.00 41.12 40.09 1r0s n ASP 172 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1r0s s SER 173 N -1.01 3.56 0.23 -1.12 1.04 -1.03 -4.71 113.70 110.64 1r0s s SER 173 Ca 0.49 0.95 -0.08 0.00 0.48 0.00 0.00 55.95 57.79 1r0s s SER 173 Cb 0.25 -1.52 0.21 0.00 0.10 0.00 0.00 66.02 65.06 1r0s s SER 173 CO 0.33 -2.52 1.88 -0.26 0.98 0.00 0.00 173.24 173.66 1r0s h PHE 174 N -1.48 1.16 -0.40 5.02 -1.00 -1.92 0.12 116.94 118.45 1r0s h PHE 174 Ca -0.50 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.16 1r0s h PHE 174 Cb 1.33 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 40.50 1r0s h PHE 174 CO 0.28 0.76 -0.25 0.35 -1.61 0.00 0.00 178.31 177.84 1r0s h PHE 175 N 1.22 0.95 -0.19 -0.55 3.57 -1.92 -0.69 116.94 119.32 1r0s h PHE 175 Ca 0.32 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1r0s h PHE 175 Cb -0.07 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 1r0s h PHE 175 CO -0.00 0.99 0.03 0.78 -2.23 0.00 0.00 178.31 177.88 1r0s h GLY 176 N 0.94 0.35 0.57 2.40 0.00 -1.35 0.73 103.07 106.70 1r0s h GLY 176 Ca 0.09 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 1r0s h GLY 176 CO 0.06 0.21 -0.52 1.70 0.00 0.00 0.00 176.54 177.99 1r0s h LYS 177 N 0.12 0.26 0.00 4.80 3.64 -0.25 -3.40 116.57 121.74 1r0s h LYS 177 Ca 0.06 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1r0s h LYS 177 Cb 0.31 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1r0s h LYS 177 CO 0.00 1.10 -0.11 0.66 -2.27 0.00 0.00 179.45 178.84 1r0s n TYR 178 N -4.30 0.00 0.00 1.91 4.01 -0.34 -4.67 117.16 113.77 1r0s n TYR 178 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1r0s n TYR 178 Cb 0.67 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 1r0s n TYR 178 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r0s n ALA 179 N -1.05 0.00 -0.33 -0.72 0.00 -0.56 -3.59 120.51 114.26 1r0s n ALA 179 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1r0s n ALA 179 Cb 0.03 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.58 1r0s n ALA 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1r0s h LEU 180 N 0.00 -0.95 -2.52 0.00 5.85 -1.16 0.20 115.31 116.72 1r0s h LEU 180 Ca 0.00 0.28 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1r0s h LEU 180 Cb 0.00 0.59 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1r0s h LEU 180 CO 0.00 -0.30 0.10 -0.65 -0.34 0.00 0.00 178.44 177.25 1r0s h PRO 181 N -0.01 0.00 -0.42 5.25 0.11 -1.78 -2.11 132.00 133.04 1r0s h PRO 181 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1r0s h PRO 181 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1r0s h PRO 181 CO -0.93 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 176.95 1r0s n ASN 182 N -3.43 3.29 -4.77 -2.05 3.02 0.67 -4.94 115.26 107.04 1r0s n ASN 182 Ca -0.02 -1.94 -0.39 0.00 -0.03 0.00 0.00 54.58 52.21 1r0s n ASN 182 Cb 0.19 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1r0s n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r0s s LEU 183 N -1.19 4.34 0.55 3.41 1.43 -0.80 -3.55 118.68 122.88 1r0s s LEU 183 Ca 0.34 2.31 0.08 0.00 -1.03 0.00 0.00 54.13 55.83 1r0s s LEU 183 Cb 0.19 -3.87 0.06 0.00 0.03 0.00 0.00 46.19 42.61 1r0s s LEU 183 CO 0.26 -0.44 0.60 0.42 0.23 0.00 0.00 176.35 177.42 1r0s s THR 184 N -1.33 1.94 -1.43 5.49 -4.23 -1.26 -4.97 115.64 109.84 1r0s s THR 184 Ca 0.52 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 1r0s s THR 184 Cb -0.31 -2.18 0.05 0.00 1.34 0.00 0.00 72.50 71.41 1r0s s THR 184 CO 0.39 0.00 0.91 -0.46 -0.54 0.00 0.00 174.62 174.92 1r0s n ASN 185 N -2.00 0.00 0.04 3.99 0.23 -1.26 -1.22 115.26 115.04 1r0s n ASN 185 Ca 0.07 0.24 0.14 0.00 -0.53 0.00 0.00 54.58 54.50 1r0s n ASN 185 Cb 0.63 -0.28 0.54 0.00 -2.08 0.00 0.00 39.78 38.59 1r0s n ASN 185 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1r0s n LYS 186 N -1.28 0.09 -3.38 -3.83 5.02 -1.26 -4.75 118.16 108.76 1r0s n LYS 186 Ca 0.01 0.08 -0.38 0.00 -2.02 0.00 0.00 58.31 56.00 1r0s n LYS 186 Cb 0.02 -1.60 -0.06 0.00 -0.02 0.00 0.00 35.03 33.37 1r0s n LYS 186 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r0s s VAL 187 N -3.04 4.89 -0.08 -0.18 1.01 -0.35 -0.44 120.40 122.21 1r0s s VAL 187 Ca 0.13 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.22 1r0s s VAL 187 Cb 0.16 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.63 1r0s s VAL 187 CO 0.54 0.56 0.03 0.35 0.00 0.00 0.00 175.10 176.59 1r0s n THR 188 N 1.81 0.59 -3.64 3.92 -2.24 -0.54 -4.83 114.28 109.35 1r0s n THR 188 Ca -0.12 -0.37 -0.15 0.00 -2.27 0.00 0.00 64.05 61.14 1r0s n THR 188 Cb 0.51 -0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 67.92 1r0s n THR 188 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1r0s s ARG 189 N -2.22 0.81 -0.22 -0.78 3.52 -1.25 -0.38 118.95 118.44 1r0s s ARG 189 Ca -0.04 0.44 -0.04 0.00 -0.13 0.00 0.00 55.73 55.96 1r0s s ARG 189 Cb 0.03 0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 33.79 1r0s s ARG 189 CO 0.36 -0.18 -0.02 0.08 -0.81 0.00 0.00 175.30 174.72 1r0s s VAL 190 N -0.50 3.57 -0.28 7.11 1.01 -0.85 -0.55 120.40 129.92 1r0s s VAL 190 Ca -0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1r0s s VAL 190 Cb -0.03 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1r0s s VAL 190 CO 0.05 0.42 0.02 -0.54 0.00 0.00 0.00 175.10 175.04 1r0s s LYS 191 N 1.39 2.97 -0.08 2.72 1.02 0.81 -2.62 119.74 125.94 1r0s s LYS 191 Ca 0.05 -0.92 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 1r0s s LYS 191 Cb -0.14 -3.22 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 1r0s s LYS 191 CO -0.01 -0.43 0.28 0.08 -0.92 0.00 0.00 175.35 174.35 1r0s s VAL 192 N 1.42 5.27 -0.24 3.17 1.01 -0.39 0.09 120.40 130.73 1r0s s VAL 192 Ca 0.01 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.56 1r0s s VAL 192 Cb -0.17 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1r0s s VAL 192 CO -0.00 0.54 -0.11 -0.63 0.00 0.00 0.00 175.10 174.90 1r0s s ILE 193 N -0.66 2.02 -0.26 2.22 1.01 0.84 -1.03 121.20 125.33 1r0s s ILE 193 Ca 0.19 -1.46 -0.17 0.00 0.00 0.00 0.00 60.65 59.20 1r0s s ILE 193 Cb -0.14 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 1r0s s ILE 193 CO 0.08 0.02 0.49 -0.69 0.00 0.00 0.00 174.94 174.84 1r0s s VAL 194 N 1.19 5.09 -0.24 2.92 1.01 0.73 -1.28 120.40 129.82 1r0s s VAL 194 Ca -0.07 0.83 -0.23 0.00 0.00 0.00 0.00 61.98 62.52 1r0s s VAL 194 Cb -0.19 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1r0s s VAL 194 CO -0.06 0.11 0.73 -0.22 0.00 0.00 0.00 175.10 175.66 1r0s s LEU 195 N 2.20 4.08 -0.45 3.92 0.20 -0.04 -1.67 118.68 126.92 1r0s s LEU 195 Ca 0.20 0.89 -0.08 0.00 0.69 0.00 0.00 54.13 55.84 1r0s s LEU 195 Cb -0.16 -3.03 0.11 0.00 -0.43 0.00 0.00 46.19 42.68 1r0s s LEU 195 CO 0.09 -0.43 0.30 -1.00 -0.29 0.00 0.00 176.35 175.02 1r0s s HIS 196 N 2.60 3.44 0.55 5.38 3.76 -1.26 -1.20 115.29 128.56 1r0s s HIS 196 Ca 0.31 -1.93 -0.20 0.00 -0.15 0.00 0.00 55.06 53.09 1r0s s HIS 196 Cb -0.15 -3.35 -0.06 0.00 1.11 0.00 0.00 32.58 30.12 1r0s s HIS 196 CO 0.08 -0.97 1.01 0.54 -0.85 0.00 0.00 174.74 174.56 1r0s n ARG 197 N 4.85 1.12 -2.10 1.40 1.74 -1.26 -4.88 116.66 117.53 1r0s n ARG 197 Ca -0.07 0.42 -0.42 0.00 -0.77 0.00 0.00 57.85 57.01 1r0s n ARG 197 Cb 0.41 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.46 29.65 1r0s n ARG 197 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r0s s LEU 198 N -1.71 4.33 0.00 0.55 1.43 -1.26 -2.63 118.68 119.39 1r0s s LEU 198 Ca 0.71 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 56.06 1r0s s LEU 198 Cb -0.45 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.21 1r0s s LEU 198 CO 0.50 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 176.89 1r0s n GLY 199 N 3.82 0.58 3.47 -3.19 0.00 -1.26 -5.05 105.19 103.56 1r0s n GLY 199 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1r0s n GLY 199 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r0s s GLU 200 N -0.14 1.67 0.20 1.61 2.02 -1.08 -5.10 118.70 117.88 1r0s s GLU 200 Ca 0.00 -1.66 -0.31 0.00 0.02 0.00 0.00 54.97 53.03 1r0s s GLU 200 Cb 0.00 -1.83 -0.10 0.00 0.10 0.00 0.00 34.13 32.31 1r0s s GLU 200 CO 0.00 0.36 1.48 0.21 0.02 0.00 0.00 175.26 177.33 1r0s s LYS 201 N -3.22 4.25 0.17 1.61 2.20 -1.26 -4.81 119.74 118.68 1r0s s LYS 201 Ca 0.27 2.30 -0.30 0.00 -0.36 0.00 0.00 55.97 57.88 1r0s s LYS 201 Cb -0.06 -3.14 -0.08 0.00 -1.51 0.00 0.00 37.83 33.04 1r0s s LYS 201 CO 0.14 -0.49 1.22 0.42 -0.36 0.00 0.00 175.35 176.27 1r0s s ILE 202 N 0.56 3.57 -0.10 5.43 1.01 -1.26 -4.66 121.20 125.75 1r0s s ILE 202 Ca 0.64 1.28 -0.06 0.00 0.00 0.00 0.00 60.65 62.51 1r0s s ILE 202 Cb -0.42 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1r0s s ILE 202 CO 0.37 0.19 -0.15 -0.38 0.00 0.00 0.00 174.94 174.97 1r0s n ILE 203 N 2.76 0.74 -4.29 2.92 2.08 -0.21 -5.00 119.36 118.36 1r0s n ILE 203 Ca 0.05 -0.09 -0.31 0.00 0.56 0.00 0.00 62.75 62.97 1r0s n ILE 203 Cb 0.44 -1.69 -0.10 0.00 -0.75 0.00 0.00 39.64 37.54 1r0s n ILE 203 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1r0s s GLU 204 N -2.23 2.37 0.01 0.38 0.41 -0.22 -5.01 118.70 114.40 1r0s s GLU 204 Ca -0.15 -0.88 0.00 0.00 -0.41 0.00 0.00 54.97 53.53 1r0s s GLU 204 Cb 0.05 -2.42 -0.01 0.00 -1.78 0.00 0.00 34.13 29.97 1r0s s GLU 204 CO 0.20 0.55 -0.02 0.15 -0.49 0.00 0.00 175.26 175.65 1r0s s LYS 205 N -1.94 0.15 0.36 1.61 1.02 -1.26 -4.80 119.74 114.87 1r0s s LYS 205 Ca 0.21 -0.23 -0.26 0.00 0.02 0.00 0.00 55.97 55.71 1r0s s LYS 205 Cb -0.11 -0.02 -0.13 0.00 -0.52 0.00 0.00 37.83 37.05 1r0s s LYS 205 CO 0.12 -0.00 0.90 0.00 -0.92 0.00 0.00 175.35 175.45 1r0s n GLY 207 N 1.35 0.50 3.38 0.00 0.00 -1.26 -5.01 105.19 104.14 1r0s n GLY 207 Ca 0.10 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1r0s n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r0s s ALA 208 N -1.90 -0.12 0.00 4.61 0.00 -1.06 -4.76 121.76 118.52 1r0s s ALA 208 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1r0s s ALA 208 Cb 0.00 0.89 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1r0s s ALA 208 CO 0.00 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1r0s n GLY 209 N -0.25 2.67 0.25 0.00 0.00 -1.26 -1.80 105.19 104.81 1r0s n GLY 209 Ca -0.07 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.86 1r0s n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r0s h SER 210 N 2.27 0.00 1.05 1.61 4.64 -1.93 -2.00 113.55 119.19 1r0s h SER 210 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1r0s h SER 210 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1r0s h SER 210 CO 0.00 0.09 -0.14 -0.07 -0.87 0.00 0.00 176.83 175.84 1r0s h LEU 211 N 0.00 0.00 0.18 5.97 3.38 -1.64 -0.57 115.31 122.62 1r0s h LEU 211 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 1r0s h LEU 211 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1r0s h LEU 211 CO 0.01 0.14 -1.47 0.25 0.09 0.00 0.00 178.44 177.46 1r0s h LEU 212 N 0.00 0.59 -0.66 1.67 5.85 -1.04 -1.83 115.31 119.89 1r0s h LEU 212 Ca -0.00 -0.70 -0.00 0.00 0.84 0.00 0.00 57.88 58.02 1r0s h LEU 212 Cb 0.70 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1r0s h LEU 212 CO 0.02 1.56 0.39 0.44 -0.34 0.00 0.00 178.44 180.51 1r0s h ASP 213 N 0.10 0.80 -0.20 1.25 3.32 -1.02 -0.61 116.42 120.06 1r0s h ASP 213 Ca -0.23 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1r0s h ASP 213 Cb 2.07 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 41.41 1r0s h ASP 213 CO 0.22 0.63 0.09 0.25 -1.72 0.00 0.00 179.24 178.70 1r0s h LEU 214 N 0.90 0.27 -0.65 1.55 5.85 -1.13 -1.97 115.31 120.13 1r0s h LEU 214 Ca 0.24 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.90 1r0s h LEU 214 Cb -0.02 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 1r0s h LEU 214 CO -0.04 0.34 0.29 -0.08 -0.34 0.00 0.00 178.44 178.61 1r0s h GLU 215 N 0.18 0.49 0.08 1.25 4.81 -0.93 0.53 114.58 120.98 1r0s h GLU 215 Ca 0.07 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1r0s h GLU 215 Cb 0.15 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1r0s h GLU 215 CO -0.01 0.32 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.20 1r0s h LYS 216 N 0.50 -0.31 -0.41 1.92 3.64 -0.72 -1.28 116.57 119.91 1r0s h LYS 216 Ca 0.32 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.78 1r0s h LYS 216 Cb 0.36 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1r0s h LYS 216 CO -0.28 -0.21 0.11 -0.07 -2.27 0.00 0.00 179.45 176.73 1r0s h LEU 217 N -0.33 0.08 -0.46 5.20 3.38 -0.77 -0.69 115.31 121.72 1r0s h LEU 217 Ca 0.03 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1r0s h LEU 217 Cb 0.35 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1r0s h LEU 217 CO -0.11 0.08 0.28 0.58 0.09 0.00 0.00 178.44 179.36 1r0s h VAL 218 N 0.26 1.07 0.00 1.22 2.07 -0.58 -1.53 116.25 118.75 1r0s h VAL 218 Ca 0.20 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1r0s h VAL 218 Cb 0.22 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1r0s h VAL 218 CO -0.23 0.10 -0.20 0.11 0.02 0.00 0.00 177.57 177.37 1r0s h LYS 219 N 0.56 0.00 0.00 1.57 1.57 -0.98 -2.33 116.57 116.97 1r0s h LYS 219 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1r0s h LYS 219 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1r0s h LYS 219 CO -0.07 0.20 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 1r0s h ALA 220 N 1.80 1.00 -0.54 3.86 0.00 -0.08 -0.77 119.26 124.52 1r0s h ALA 220 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r0s h ALA 220 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1r0s h ALA 220 CO 0.03 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.91 1r0s n LYS 221 N -2.36 3.49 -1.66 0.00 5.02 -0.92 -4.95 118.16 116.78 1r0s n LYS 221 Ca 0.02 -2.75 -0.16 0.00 -2.02 0.00 0.00 58.31 53.40 1r0s n LYS 221 Cb 0.26 -1.79 -0.06 0.00 -0.02 0.00 0.00 35.03 33.43 1r0s n LYS 221 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1r0s n HIS 222 N 0.78 -0.18 -3.62 2.13 8.25 -0.29 -5.01 115.22 117.27 1r0s n HIS 222 Ca 0.23 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.38 1r0s n HIS 222 Cb 0.82 -2.93 -0.05 0.00 1.12 0.00 0.00 29.99 28.96 1r0s n HIS 222 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1r0s s PHE 223 N -2.65 3.47 0.91 4.41 0.08 -0.97 -5.01 117.98 118.22 1r0s s PHE 223 Ca 0.00 0.59 -0.12 0.00 0.12 0.00 0.00 56.93 57.52 1r0s s PHE 223 Cb 0.00 -2.04 0.13 0.00 -0.57 0.00 0.00 43.02 40.55 1r0s s PHE 223 CO 0.00 0.39 1.11 0.00 -0.10 0.00 0.00 175.22 176.63 1r0s s ALA 224 N -1.72 1.66 -0.14 5.36 0.00 0.49 -4.12 121.76 123.29 1r0s s ALA 224 Ca 0.42 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 1r0s s ALA 224 Cb -0.12 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 19.96 1r0s s ALA 224 CO 0.25 -2.30 0.44 0.12 0.00 0.00 0.00 175.76 174.27 1r0s s PHE 225 N -3.14 -0.46 0.11 0.00 5.36 -1.26 -2.01 117.98 116.58 1r0s s PHE 225 Ca 0.63 1.06 -0.18 0.00 -0.96 0.00 0.00 56.93 57.48 1r0s s PHE 225 Cb -0.16 0.17 0.04 0.00 -0.34 0.00 0.00 43.02 42.74 1r0s s PHE 225 CO 0.55 -0.28 0.45 0.16 -1.46 0.00 0.00 175.22 174.63 1r0s s ASP 226 N -0.09 -0.32 -0.13 6.13 1.47 -1.08 -5.00 116.67 117.65 1r0s s ASP 226 Ca -0.03 -0.15 -0.10 0.00 1.18 0.00 0.00 52.55 53.45 1r0s s ASP 226 Cb -0.03 0.49 0.04 0.00 -0.34 0.00 0.00 42.92 43.07 1r0s s ASP 226 CO 0.02 -0.82 0.34 0.00 0.68 0.00 0.00 175.17 175.39 1r0s s VAL 228 N 0.60 0.57 -0.14 0.00 0.11 -0.20 -4.97 120.40 116.37 1r0s s VAL 228 Ca -0.03 -1.78 0.01 0.00 -2.93 0.00 0.00 61.98 57.25 1r0s s VAL 228 Cb -0.05 -1.48 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 1r0s s VAL 228 CO -0.04 -0.83 -0.16 -1.61 -3.33 0.00 0.00 175.10 169.13 1r0s s GLU 229 N -3.51 3.24 -1.13 1.54 2.02 -1.26 -0.19 118.70 119.40 1r0s s GLU 229 Ca 0.07 -0.76 -0.28 0.00 0.02 0.00 0.00 54.97 54.03 1r0s s GLU 229 Cb 0.04 -2.56 0.04 0.00 0.10 0.00 0.00 34.13 31.74 1r0s s GLU 229 CO -0.05 0.11 0.67 0.09 0.02 0.00 0.00 175.26 176.10 1r0s n ASN 230 N 3.78 -4.30 -4.71 -0.19 4.13 -0.67 -4.89 115.26 108.40 1r0s n ASN 230 Ca -0.19 -1.23 -0.34 0.00 1.68 0.00 0.00 54.58 54.50 1r0s n ASN 230 Cb 0.52 -1.68 0.11 0.00 -1.54 0.00 0.00 39.78 37.19 1r0s n ASN 230 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1r0s s PRO 231 N -6.92 1.95 0.25 3.52 0.04 -1.26 -4.52 135.00 128.06 1r0s s PRO 231 Ca 0.39 1.83 -0.07 0.00 0.04 0.00 0.00 61.00 63.19 1r0s s PRO 231 Cb -0.22 -1.80 0.45 0.00 0.04 0.00 0.00 34.50 32.97 1r0s s PRO 231 CO 0.96 -2.00 1.62 0.00 0.04 0.00 0.00 177.00 177.62 1r0s h ARG 232 N -0.44 0.06 -0.37 4.56 3.08 -1.99 0.14 114.38 119.42 1r0s h ARG 232 Ca -0.48 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 1r0s h ARG 232 Cb 1.31 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 1r0s h ARG 232 CO 0.48 0.04 0.23 0.00 -1.07 0.00 0.00 179.97 179.65 1r0s h ALA 233 N 1.77 1.71 0.15 0.04 0.00 -2.00 -1.25 119.26 119.67 1r0s h ALA 233 Ca 0.43 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 55.02 1r0s h ALA 233 Cb 0.75 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.42 1r0s h ALA 233 CO -0.74 0.26 -1.20 0.28 0.00 0.00 0.00 179.25 177.85 1r0s h VAL 234 N 0.50 1.33 -0.48 0.00 2.07 -1.17 -3.18 116.25 115.32 1r0s h VAL 234 Ca 0.13 -2.51 -0.02 0.00 0.82 0.00 0.00 66.70 65.13 1r0s h VAL 234 Cb -0.03 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1r0s h VAL 234 CO -0.03 0.75 0.21 0.25 0.02 0.00 0.00 177.57 178.77 1r0s h LEU 235 N 0.11 0.60 -1.11 2.57 5.85 -0.53 -1.99 115.31 120.81 1r0s h LEU 235 Ca -0.19 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 1r0s h LEU 235 Cb 1.90 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1r0s h LEU 235 CO 0.23 0.54 -0.43 -0.26 -0.34 0.00 0.00 178.44 178.17 1r0s h PHE 236 N 0.67 0.02 -0.02 1.25 0.04 -1.30 0.51 116.94 118.12 1r0s h PHE 236 Ca 0.17 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 1r0s h PHE 236 Cb 0.11 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 1r0s h PHE 236 CO 0.01 0.45 -0.00 1.25 -0.60 0.00 0.00 178.31 179.42 1r0s h LEU 237 N 0.02 0.03 -0.64 1.54 5.85 -1.38 -0.57 115.31 120.16 1r0s h LEU 237 Ca -0.00 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.47 1r0s h LEU 237 Cb 0.77 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1r0s h LEU 237 CO 0.06 0.34 0.31 -0.07 -0.34 0.00 0.00 178.44 178.75 1r0s h LEU 238 N -0.28 0.42 -1.01 2.25 3.38 -0.78 -2.29 115.31 117.00 1r0s h LEU 238 Ca 0.01 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1r0s h LEU 238 Cb 0.33 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1r0s h LEU 238 CO 0.00 0.26 -0.06 0.00 0.09 0.00 0.00 178.44 178.73 1r0s h SER 240 N 0.60 0.71 0.28 0.00 0.87 -0.50 0.54 113.55 116.05 1r0s h SER 240 Ca 0.11 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1r0s h SER 240 Cb 0.47 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1r0s h SER 240 CO 0.02 0.43 -0.10 0.47 -0.53 0.00 0.00 176.83 177.12 1r0s n ASP 241 N -4.51 0.59 -2.72 6.23 8.00 -1.03 -4.34 116.55 118.77 1r0s n ASP 241 Ca 0.14 -0.74 -0.08 0.00 0.71 0.00 0.00 54.79 54.83 1r0s n ASP 241 Cb 0.31 -0.04 0.07 0.00 -0.02 0.00 0.00 41.12 41.44 1r0s n ASP 241 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1r0s n ASN 242 N -0.81 -2.36 0.28 -2.24 4.05 0.54 -5.02 115.26 109.70 1r0s n ASN 242 Ca 0.16 -3.14 0.16 0.00 0.45 0.00 0.00 54.58 52.21 1r0s n ASN 242 Cb 0.28 1.68 0.87 0.00 1.23 0.00 0.00 39.78 43.84 1r0s n ASN 242 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1r0s h PRO 243 N 3.37 0.00 -0.02 1.20 0.13 -0.28 -1.86 132.00 134.54 1r0s h PRO 243 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1r0s h PRO 243 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1r0s h PRO 243 CO 0.17 0.00 -0.13 0.09 -0.23 0.00 0.00 178.00 177.90 1r0s n ASN 244 N -2.73 1.99 -4.75 1.44 5.03 -1.26 -4.81 115.26 110.17 1r0s n ASN 244 Ca -0.02 -1.56 -0.37 0.00 0.87 0.00 0.00 54.58 53.50 1r0s n ASN 244 Cb 0.19 0.11 0.04 0.00 -1.02 0.00 0.00 39.78 39.10 1r0s n ASN 244 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1r0s s ALA 245 N -2.17 2.64 0.40 5.41 0.00 -0.70 -4.91 121.76 122.43 1r0s s ALA 245 Ca 0.29 1.15 0.08 0.00 0.00 0.00 0.00 51.96 53.48 1r0s s ALA 245 Cb 0.20 -3.51 0.83 0.00 0.00 0.00 0.00 23.12 20.65 1r0s s ALA 245 CO 0.40 -1.28 2.00 -0.09 0.00 0.00 0.00 175.76 176.79 1r0s h ARG 246 N 1.11 0.43 0.00 0.00 2.43 -1.92 -0.82 114.38 115.61 1r0s h ARG 246 Ca -0.51 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1r0s h ARG 246 Cb 1.30 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1r0s h ARG 246 CO 0.56 0.36 0.00 0.39 -1.51 0.00 0.00 179.97 179.77 1r0s n GLU 247 N -4.40 0.08 -0.01 0.20 4.71 -1.26 -2.93 120.64 117.02 1r0s n GLU 247 Ca 0.01 0.23 0.09 0.00 -0.01 0.00 0.00 57.16 57.49 1r0s n GLU 247 Cb 0.14 -1.50 0.08 0.00 -1.01 0.00 0.00 31.44 29.15 1r0s n GLU 247 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1r0s n ARG 249 N 1.01 2.37 -3.18 0.00 0.63 -1.15 -4.96 116.66 111.38 1r0s n ARG 249 Ca 0.11 0.86 -0.31 0.00 -0.92 0.00 0.00 57.85 57.58 1r0s n ARG 249 Cb 0.45 -2.67 -0.05 0.00 0.45 0.00 0.00 32.46 30.64 1r0s n ARG 249 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1r0s s LEU 250 N 1.50 4.04 0.00 6.15 1.43 -1.26 -5.15 118.68 125.40 1r0s s LEU 250 Ca 0.80 1.09 0.08 0.00 -1.03 0.00 0.00 54.13 55.07 1r0s s LEU 250 Cb -0.62 -3.90 0.49 0.00 0.03 0.00 0.00 46.19 42.19 1r0s s LEU 250 CO 0.38 -0.21 0.94 0.00 0.23 0.00 0.00 176.35 177.69