#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r n GLN 2 N 0.00 -2.45 -2.17 -0.52 1.13 -1.26 -4.96 117.38 107.14 1n8r n GLN 2 Ca 0.00 2.08 -0.35 0.00 -1.94 0.00 0.00 57.00 56.80 1n8r n GLN 2 Cb 0.00 -3.30 0.01 0.00 0.11 0.00 0.00 30.24 27.07 1n8r n GLN 2 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1n8r s PRO 3 N -0.83 3.25 1.21 -1.09 0.02 -1.26 -5.02 135.00 131.27 1n8r s PRO 3 Ca -0.13 1.61 -0.17 0.00 0.02 0.00 0.00 61.00 62.33 1n8r s PRO 3 Cb 0.01 -1.99 0.29 0.00 0.02 0.00 0.00 34.50 32.83 1n8r s PRO 3 CO 0.44 -0.93 1.03 -1.12 -0.33 0.00 0.00 177.00 176.09 1n8r s SER 4 N -1.85 0.75 0.00 2.53 0.01 -1.26 -5.08 113.70 108.80 1n8r s SER 4 Ca 0.73 1.06 0.00 0.00 1.31 0.00 0.00 55.95 59.05 1n8r s SER 4 Cb -0.24 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.38 1n8r s SER 4 CO 0.29 -4.28 0.00 -1.14 0.41 0.00 0.00 173.24 168.53 1n8r n ARG 5 N -4.92 0.00 -0.92 12.44 0.63 -1.26 -5.16 116.66 117.47 1n8r n ARG 5 Ca 0.08 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.68 1n8r n ARG 5 Cb 0.58 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.61 1n8r n ARG 5 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1n8r n PRO 6 N -0.02 -0.12 -1.29 -0.14 -0.02 -1.26 -4.95 135.00 127.20 1n8r n PRO 6 Ca 0.00 0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 1n8r n PRO 6 Cb 0.00 -2.07 0.12 0.00 -0.02 0.00 0.00 33.50 31.53 1n8r n PRO 6 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1n8r s ARG 7 N -3.76 1.63 -0.47 -0.52 1.04 -1.26 -4.97 118.95 110.64 1n8r s ARG 7 Ca 0.64 0.84 -0.26 0.00 -1.04 0.00 0.00 55.73 55.91 1n8r s ARG 7 Cb -0.26 -1.85 0.03 0.00 -2.04 0.00 0.00 34.95 30.83 1n8r s ARG 7 CO 0.60 -1.99 0.95 0.15 -0.04 0.00 0.00 175.30 174.98 1n8r s LYS 8 N -4.98 3.54 0.00 3.89 -0.14 -1.26 -4.89 119.74 115.90 1n8r s LYS 8 Ca 0.62 0.18 0.00 0.00 -1.36 0.00 0.00 55.97 55.41 1n8r s LYS 8 Cb -0.17 -3.93 0.00 0.00 -1.68 0.00 0.00 37.83 32.05 1n8r s LYS 8 CO 0.56 -1.26 0.00 0.41 -0.76 0.00 0.00 175.35 174.30 1n8r n GLY 9 N 4.94 -1.53 3.85 -3.33 0.00 -1.15 -4.84 105.19 103.12 1n8r n GLY 9 Ca 0.07 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 1n8r n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n8r s SER 10 N -2.67 6.79 0.00 1.61 0.15 -1.26 -4.96 113.70 113.36 1n8r s SER 10 Ca 0.00 1.34 0.20 0.00 0.70 0.00 0.00 55.95 58.19 1n8r s SER 10 Cb 0.00 -2.40 0.54 0.00 -1.71 0.00 0.00 66.02 62.45 1n8r s SER 10 CO 0.00 -0.24 1.45 0.18 1.20 0.00 0.00 173.24 175.83 1n8r n LEU 11 N -0.46 3.67 -0.90 3.45 4.32 -1.26 -4.40 117.00 121.42 1n8r n LEU 11 Ca 0.04 -1.91 0.12 0.00 -0.02 0.00 0.00 56.01 54.24 1n8r n LEU 11 Cb 0.53 -0.40 0.25 0.00 -1.62 0.00 0.00 43.42 42.19 1n8r n LEU 11 CO 0.41 0.90 0.72 0.61 -1.22 0.00 0.00 177.39 178.80 1n8r n GLY 12 N 1.40 1.03 1.62 -0.72 0.00 -1.26 -4.24 105.19 103.03 1n8r n GLY 12 Ca 0.21 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 1n8r n GLY 12 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n8r n PHE 13 N 1.06 1.72 -4.22 1.61 3.01 -1.26 -5.06 117.46 114.32 1n8r n PHE 13 Ca 0.17 -1.94 -0.25 0.00 1.01 0.00 0.00 57.45 56.44 1n8r n PHE 13 Cb 0.52 -0.30 -0.08 0.00 -0.01 0.00 0.00 39.48 39.61 1n8r n PHE 13 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1n8r s GLY 14 N -3.45 2.29 0.49 1.37 0.00 -1.26 -4.01 107.32 102.75 1n8r s GLY 14 Ca 0.45 -2.10 -0.21 0.00 0.00 0.00 0.00 44.72 42.86 1n8r s GLY 14 CO -0.01 -1.92 1.11 2.56 0.00 0.00 0.00 173.10 174.84 1n8r s PRO 15 N -3.85 3.67 -1.24 2.90 0.04 -1.26 -5.03 135.00 130.23 1n8r s PRO 15 Ca 0.39 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 1n8r s PRO 15 Cb 0.04 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1n8r s PRO 15 CO 0.22 -0.59 2.26 0.54 0.04 0.00 0.00 177.00 179.47 1n8r n ARG 16 N -0.82 2.54 -3.80 4.56 3.00 -1.26 -4.91 116.66 115.97 1n8r n ARG 16 Ca 0.09 -2.19 -0.22 0.00 -0.01 0.00 0.00 57.85 55.52 1n8r n ARG 16 Cb 0.50 -3.00 -0.05 0.00 0.00 0.00 0.00 32.46 29.91 1n8r n ARG 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1n8r s LYS 17 N 3.53 2.45 0.60 5.56 -2.85 -1.26 -4.34 119.74 123.43 1n8r s LYS 17 Ca 0.53 -1.60 -0.19 0.00 -1.00 0.00 0.00 55.97 53.71 1n8r s LYS 17 Cb 0.14 -2.26 -0.03 0.00 -2.06 0.00 0.00 37.83 33.63 1n8r s LYS 17 CO -0.02 -0.11 1.25 1.03 0.10 0.00 0.00 175.35 177.60 1n8r s ARG 18 N -4.02 2.87 0.46 1.78 0.52 -1.26 -4.72 118.95 114.58 1n8r s ARG 18 Ca 0.44 1.96 -0.22 0.00 -0.52 0.00 0.00 55.73 57.39 1n8r s ARG 18 Cb -0.01 -1.95 -0.08 0.00 0.52 0.00 0.00 34.95 33.43 1n8r s ARG 18 CO 0.26 -1.32 1.11 0.45 0.02 0.00 0.00 175.30 175.81 1n8r s SER 19 N -1.44 6.27 0.07 0.23 0.15 -0.77 -4.99 113.70 113.22 1n8r s SER 19 Ca 0.78 2.16 -0.14 0.00 0.70 0.00 0.00 55.95 59.45 1n8r s SER 19 Cb -0.34 -2.59 -0.24 0.00 -1.71 0.00 0.00 66.02 61.14 1n8r s SER 19 CO 0.37 -0.84 1.18 0.74 1.20 0.00 0.00 173.24 175.89 1n8r h THR 20 N 1.79 1.28 -3.32 6.45 2.02 -1.93 -3.44 112.91 115.76 1n8r h THR 20 Ca -0.49 -2.26 -0.68 0.00 0.77 0.00 0.00 66.41 63.75 1n8r h THR 20 Cb 1.24 2.41 -0.33 0.00 -1.74 0.00 0.00 68.15 69.73 1n8r h THR 20 CO 0.60 0.70 -0.87 -0.44 0.37 0.00 0.00 175.52 175.88 1n8r s SER 21 N -7.31 3.17 0.52 4.18 0.01 -1.26 -4.97 113.70 108.05 1n8r s SER 21 Ca -0.10 -0.55 0.31 0.00 1.31 0.00 0.00 55.95 56.92 1n8r s SER 21 Cb 0.07 -1.43 1.19 0.00 0.21 0.00 0.00 66.02 66.06 1n8r s SER 21 CO 0.92 0.15 1.92 -0.08 0.41 0.00 0.00 173.24 176.56 1n8r h GLU 22 N 6.81 0.00 -5.59 12.44 4.81 -2.01 -3.40 114.58 127.65 1n8r h GLU 22 Ca -0.22 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.42 1n8r h GLU 22 Cb 1.23 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.51 1n8r h GLU 22 CO 0.49 0.04 -0.08 0.99 -0.73 0.00 0.00 179.01 179.72 1n8r s THR 23 N -3.62 5.14 0.58 0.32 2.01 -1.26 -4.37 115.64 114.44 1n8r s THR 23 Ca 0.02 0.93 -0.20 0.00 0.31 0.00 0.00 61.69 62.75 1n8r s THR 23 Cb 0.09 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1n8r s THR 23 CO 0.57 0.23 1.24 -2.84 -0.69 0.00 0.00 174.62 173.13 1n8r s PRO 24 N 1.32 3.03 -0.30 4.92 0.02 -1.26 -5.03 135.00 137.70 1n8r s PRO 24 Ca 0.24 1.92 -0.00 0.00 0.02 0.00 0.00 61.00 63.18 1n8r s PRO 24 Cb -0.15 -2.02 0.09 0.00 0.02 0.00 0.00 34.50 32.43 1n8r s PRO 24 CO 0.10 -1.18 0.07 1.03 -0.33 0.00 0.00 177.00 176.68 1n8r s ARG 25 N -3.20 0.94 0.46 5.54 1.81 -1.26 -5.01 118.95 118.24 1n8r s ARG 25 Ca 0.76 -1.14 -0.24 0.00 -1.72 0.00 0.00 55.73 53.39 1n8r s ARG 25 Cb -0.33 -2.27 -0.08 0.00 -0.45 0.00 0.00 34.95 31.82 1n8r s ARG 25 CO 0.36 -0.90 1.28 1.19 -0.68 0.00 0.00 175.30 176.55 1n8r n PHE 26 N 4.75 2.11 -0.47 -0.53 3.01 -1.26 -4.89 117.46 120.17 1n8r n PHE 26 Ca -0.03 0.48 0.05 0.00 1.01 0.00 0.00 57.45 58.96 1n8r n PHE 26 Cb 0.43 -2.36 0.12 0.00 -0.01 0.00 0.00 39.48 37.65 1n8r n PHE 26 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1n8r n ASN 27 N -0.13 2.66 -3.68 4.37 2.04 -1.26 -4.99 115.26 114.26 1n8r n ASN 27 Ca 0.08 -2.43 -0.15 0.00 -0.44 0.00 0.00 54.58 51.64 1n8r n ASN 27 Cb 0.41 -0.26 -0.08 0.00 -2.53 0.00 0.00 39.78 37.33 1n8r n ASN 27 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1n8r s SER 28 N -1.60 -0.38 0.09 0.53 0.01 -1.26 -5.18 113.70 105.91 1n8r s SER 28 Ca 0.21 0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.92 1n8r s SER 28 Cb 0.16 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.84 1n8r s SER 28 CO 0.06 -0.44 -0.08 0.26 0.41 0.00 0.00 173.24 173.45 1n8r s TRP 29 N -1.01 0.95 1.15 2.43 0.52 -1.26 -5.09 118.94 116.63 1n8r s TRP 29 Ca -0.10 -0.75 -0.13 0.00 0.02 0.00 0.00 56.10 55.14 1n8r s TRP 29 Cb -0.03 -0.53 0.28 0.00 -1.15 0.00 0.00 33.47 32.03 1n8r s TRP 29 CO 0.05 -0.07 1.03 -2.14 0.02 0.00 0.00 176.95 175.85 1n8r s PRO 30 N -3.14 -0.84 0.42 4.98 0.02 -1.26 -4.99 135.00 130.19 1n8r s PRO 30 Ca 0.07 0.86 -0.10 0.00 0.02 0.00 0.00 61.00 61.85 1n8r s PRO 30 Cb 0.00 -1.56 -0.06 0.00 0.02 0.00 0.00 34.50 32.90 1n8r s PRO 30 CO -0.02 -3.68 0.78 -1.54 -0.33 0.00 0.00 177.00 172.22 1n8r s SER 31 N -2.55 6.49 -1.28 2.53 1.04 -1.26 -4.97 113.70 113.70 1n8r s SER 31 Ca 0.68 1.13 -0.19 0.00 0.48 0.00 0.00 55.95 58.05 1n8r s SER 31 Cb -0.25 -2.32 0.04 0.00 0.10 0.00 0.00 66.02 63.59 1n8r s SER 31 CO 0.64 -0.43 1.79 0.47 0.98 0.00 0.00 173.24 176.69 1n8r n ASP 32 N -1.42 4.55 0.00 7.02 8.00 -1.26 -4.74 116.55 128.70 1n8r n ASP 32 Ca 0.02 -2.88 0.00 0.00 0.71 0.00 0.00 54.79 52.65 1n8r n ASP 32 Cb 0.54 -1.74 0.00 0.00 -0.02 0.00 0.00 41.12 39.90 1n8r n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1n8r n ASP 33 N 9.44 0.00 -3.25 -2.24 -0.08 -1.26 -4.88 116.55 114.28 1n8r n ASP 33 Ca 0.48 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 1n8r n ASP 33 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1n8r n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n8r n GLY 34 N 3.07 -2.56 3.68 0.27 0.00 -1.26 -4.54 105.19 103.85 1n8r n GLY 34 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1n8r n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n8r s GLN 35 N 0.00 1.03 0.30 1.61 -0.21 -1.26 -2.80 119.66 118.34 1n8r s GLN 35 Ca 0.00 1.00 -0.29 0.00 0.02 0.00 0.00 55.36 56.09 1n8r s GLN 35 Cb 0.00 -1.77 -0.11 0.00 1.00 0.00 0.00 33.01 32.13 1n8r s GLN 35 CO 0.00 -2.45 1.46 -2.14 -2.12 0.00 0.00 175.29 170.04 1n8r s PRO 36 N -4.81 4.22 -0.08 2.91 0.02 -1.26 -4.36 135.00 131.63 1n8r s PRO 36 Ca 0.64 2.41 -0.32 0.00 0.02 0.00 0.00 61.00 63.75 1n8r s PRO 36 Cb -0.20 -3.05 0.12 0.00 0.02 0.00 0.00 34.50 31.39 1n8r s PRO 36 CO 0.58 -0.45 1.11 0.20 -0.33 0.00 0.00 177.00 178.11 1n8r s GLY 37 N 0.11 -0.35 0.18 0.52 0.00 -0.04 -4.91 107.32 102.83 1n8r s GLY 37 Ca 0.57 1.18 -0.30 0.00 0.00 0.00 0.00 44.72 46.17 1n8r s GLY 37 CO 0.51 0.37 1.11 0.14 0.00 0.00 0.00 173.10 175.24 1n8r s VAL 38 N -2.69 3.81 -0.62 1.40 1.01 -1.26 -2.13 120.40 119.91 1n8r s VAL 38 Ca 0.09 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.61 1n8r s VAL 38 Cb -0.00 -4.00 0.31 0.00 0.00 0.00 0.00 36.38 32.69 1n8r s VAL 38 CO -0.05 0.27 2.16 0.00 0.00 0.00 0.00 175.10 177.47 1n8r n GLN 39 N 2.34 2.49 0.00 2.72 6.02 -0.03 -4.89 117.38 126.04 1n8r n GLN 39 Ca 0.03 -2.88 0.00 0.00 -0.01 0.00 0.00 57.00 54.14 1n8r n GLN 39 Cb 0.46 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.58 1n8r n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n8r n GLY 40 N -0.28 1.34 3.83 1.08 0.00 -1.26 -4.41 105.19 105.48 1n8r n GLY 40 Ca 0.52 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 1n8r n GLY 40 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n8r s PHE 41 N -2.00 0.03 0.15 1.61 5.36 -0.57 -4.97 117.98 117.59 1n8r s PHE 41 Ca 0.00 -0.57 -0.08 0.00 -0.96 0.00 0.00 56.93 55.32 1n8r s PHE 41 Cb 0.00 0.77 -0.01 0.00 -0.34 0.00 0.00 43.02 43.44 1n8r s PHE 41 CO 0.00 -1.29 0.23 0.00 -1.46 0.00 0.00 175.22 172.70 1n8r s ALA 42 N -2.65 0.09 0.05 11.12 0.00 -1.26 0.50 121.76 129.62 1n8r s ALA 42 Ca 0.16 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1n8r s ALA 42 Cb -0.04 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.89 1n8r s ALA 42 CO 0.08 -0.60 0.17 0.41 0.00 0.00 0.00 175.76 175.82 1n8r n GLY 43 N -0.17 1.51 3.17 0.00 0.00 -0.82 -4.67 105.19 104.20 1n8r n GLY 43 Ca -0.08 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 1n8r n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n8r s TYR 44 N -6.58 2.14 0.41 1.61 1.51 -0.19 -1.35 117.35 114.90 1n8r s TYR 44 Ca 0.04 -0.77 -0.26 0.00 -1.01 0.00 0.00 57.07 55.07 1n8r s TYR 44 Cb -0.01 -1.45 -0.09 0.00 -0.11 0.00 0.00 41.96 40.31 1n8r s TYR 44 CO 0.02 -0.30 1.33 0.21 -1.11 0.00 0.00 175.55 175.70 1n8r s LYS 45 N 0.24 3.93 0.00 -0.62 2.20 -0.94 -1.01 119.74 123.54 1n8r s LYS 45 Ca -0.12 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.71 1n8r s LYS 45 Cb -0.15 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 1n8r s LYS 45 CO 0.06 -0.55 0.00 0.00 -0.36 0.00 0.00 175.35 174.49 1n8r n ALA 46 N 0.09 2.42 0.00 3.13 0.00 -0.21 -0.68 120.51 125.26 1n8r n ALA 46 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1n8r n ALA 46 Cb 0.43 0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1n8r n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 47 N 3.05 -0.88 3.25 0.00 0.00 -1.12 -4.76 105.19 104.73 1n8r n GLY 47 Ca 0.00 -1.10 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 1n8r n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n8r s MET 48 N -1.71 1.05 0.38 1.61 -1.94 -1.26 0.15 119.30 117.58 1n8r s MET 48 Ca 0.00 -1.22 -0.14 0.00 -1.71 0.00 0.00 55.69 52.62 1n8r s MET 48 Cb 0.00 -1.03 0.05 0.00 2.01 0.00 0.00 34.83 35.86 1n8r s MET 48 CO 0.00 0.21 0.75 0.95 -0.01 0.00 0.00 175.02 176.92 1n8r s THR 49 N -1.90 0.00 0.33 2.05 -4.23 -0.68 -4.95 115.64 106.26 1n8r s THR 49 Ca 0.08 -1.08 0.10 0.00 -1.18 0.00 0.00 61.69 59.61 1n8r s THR 49 Cb -0.06 -2.85 -0.06 0.00 1.34 0.00 0.00 72.50 70.87 1n8r s THR 49 CO 0.04 0.00 -0.12 -1.38 -0.54 0.00 0.00 174.62 172.62 1n8r s HIS 50 N -2.41 2.35 0.01 3.99 -3.43 -1.26 -0.53 115.29 114.01 1n8r s HIS 50 Ca 0.17 -0.47 -0.02 0.00 -0.80 0.00 0.00 55.06 53.94 1n8r s HIS 50 Cb -0.04 -1.28 -0.01 0.00 -1.43 0.00 0.00 32.58 29.81 1n8r s HIS 50 CO 0.13 0.60 0.01 0.54 -2.00 0.00 0.00 174.74 174.02 1n8r s VAL 51 N -2.61 0.10 -0.22 -5.38 0.11 -0.57 -1.59 120.40 110.25 1n8r s VAL 51 Ca 0.32 -0.82 -0.11 0.00 -2.93 0.00 0.00 61.98 58.44 1n8r s VAL 51 Cb 0.01 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 1n8r s VAL 51 CO 0.16 -0.45 0.16 -0.69 -3.33 0.00 0.00 175.10 170.95 1n8r s VAL 52 N -1.39 5.37 0.29 2.04 1.01 0.11 0.06 120.40 127.89 1n8r s VAL 52 Ca -0.15 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1n8r s VAL 52 Cb -0.09 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1n8r s VAL 52 CO -0.00 0.39 -0.08 -0.76 0.00 0.00 0.00 175.10 174.64 1n8r s LEU 53 N 0.73 2.56 -0.24 3.92 1.02 0.17 -1.68 118.68 125.15 1n8r s LEU 53 Ca 0.09 -1.17 -0.16 0.00 0.02 0.00 0.00 54.13 52.91 1n8r s LEU 53 Cb -0.12 -0.77 -0.04 0.00 0.02 0.00 0.00 46.19 45.28 1n8r s LEU 53 CO 0.02 -0.26 0.40 -0.69 0.02 0.00 0.00 176.35 175.84 1n8r s VAL 54 N -2.87 5.17 -0.40 -1.59 1.01 -0.97 -0.92 120.40 119.83 1n8r s VAL 54 Ca 0.30 0.67 -0.40 0.00 0.00 0.00 0.00 61.98 62.54 1n8r s VAL 54 Cb 0.02 -3.73 -0.16 0.00 0.00 0.00 0.00 36.38 32.52 1n8r s VAL 54 CO 0.13 0.18 2.02 -3.20 0.00 0.00 0.00 175.10 174.23 1n8r n ASN 55 N 5.06 1.63 -0.00 3.32 2.85 0.89 -4.65 115.26 124.36 1n8r n ASN 55 Ca -0.08 0.72 -0.02 0.00 -0.11 0.00 0.00 54.58 55.09 1n8r n ASN 55 Cb 0.51 -1.08 -0.11 0.00 1.24 0.00 0.00 39.78 40.34 1n8r n ASN 55 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1n8r n ASP 56 N 7.55 0.64 -4.63 1.20 -0.08 -1.26 -0.47 116.55 119.49 1n8r n ASP 56 Ca 0.42 0.28 -0.42 0.00 -1.51 0.00 0.00 54.79 53.56 1n8r n ASP 56 Cb 0.09 0.45 -0.03 0.00 2.34 0.00 0.00 41.12 43.96 1n8r n ASP 56 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1n8r s GLU 57 N -2.87 3.67 0.58 -0.67 2.12 -1.26 -4.88 118.70 115.40 1n8r s GLU 57 Ca -0.05 2.31 0.36 0.00 0.36 0.00 0.00 54.97 57.95 1n8r s GLU 57 Cb 0.09 -4.25 1.76 0.00 0.26 0.00 0.00 34.13 31.98 1n8r s GLU 57 CO 0.83 -1.49 2.15 -1.00 -0.54 0.00 0.00 175.26 175.20 1n8r h PRO 58 N 12.60 0.00 -0.05 4.30 0.13 -1.99 -2.60 132.00 144.39 1n8r h PRO 58 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1n8r h PRO 58 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1n8r h PRO 58 CO 0.95 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.85 1n8r n ASN 59 N -3.26 2.56 -4.72 1.44 3.02 -1.26 -4.92 115.26 108.12 1n8r n ASN 59 Ca -0.01 -1.85 -0.40 0.00 -0.03 0.00 0.00 54.58 52.29 1n8r n ASN 59 Cb 0.21 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 1n8r n ASN 59 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1n8r s SER 60 N -1.96 7.05 0.00 6.41 0.15 -0.98 -4.90 113.70 119.46 1n8r s SER 60 Ca 0.32 1.26 0.06 0.00 0.70 0.00 0.00 55.95 58.28 1n8r s SER 60 Cb 0.20 -2.43 0.29 0.00 -1.71 0.00 0.00 66.02 62.37 1n8r s SER 60 CO 0.31 -0.08 1.05 -2.65 1.20 0.00 0.00 173.24 173.06 1n8r n PRO 61 N 3.53 0.07 -0.03 5.44 -0.02 -1.26 -0.80 135.00 141.93 1n8r n PRO 61 Ca -0.01 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 61.79 1n8r n PRO 61 Cb 0.51 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.57 1n8r n PRO 61 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n8r n ARG 62 N -1.31 1.27 -1.69 -0.52 1.74 -1.26 -5.02 116.66 109.87 1n8r n ARG 62 Ca 0.03 -1.48 -0.59 0.00 -0.77 0.00 0.00 57.85 55.03 1n8r n ARG 62 Cb 0.05 -1.29 -0.08 0.00 -1.02 0.00 0.00 32.46 30.12 1n8r n ARG 62 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1n8r n GLU 63 N 0.82 0.81 0.00 5.56 0.28 0.01 -0.90 120.64 127.23 1n8r n GLU 63 Ca 0.09 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1n8r n GLU 63 Cb 0.38 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 31.33 1n8r n GLU 63 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1n8r n GLY 64 N 3.74 1.18 3.96 -1.84 0.00 0.38 -4.92 105.19 107.70 1n8r n GLY 64 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 1n8r n GLY 64 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n8r s MET 65 N -0.73 2.77 1.05 1.61 -1.94 -0.08 -4.55 119.30 117.43 1n8r s MET 65 Ca 0.00 -0.67 -0.12 0.00 -1.71 0.00 0.00 55.69 53.20 1n8r s MET 65 Cb 0.00 -2.52 0.22 0.00 2.01 0.00 0.00 34.83 34.54 1n8r s MET 65 CO 0.00 -0.52 1.08 -1.21 -0.01 0.00 0.00 175.02 174.36 1n8r s GLU 66 N -4.67 -0.07 -0.30 2.03 0.41 -1.26 -0.08 118.70 114.76 1n8r s GLU 66 Ca 0.53 1.16 -0.18 0.00 -0.41 0.00 0.00 54.97 56.08 1n8r s GLU 66 Cb -0.10 -1.63 0.18 0.00 -1.78 0.00 0.00 34.13 30.80 1n8r s GLU 66 CO 0.38 -3.25 1.17 -2.00 -0.49 0.00 0.00 175.26 171.07 1n8r s GLU 67 N -4.54 0.14 -0.06 1.61 2.12 -0.10 -4.61 118.70 113.26 1n8r s GLU 67 Ca 0.68 0.35 -0.24 0.00 0.36 0.00 0.00 54.97 56.11 1n8r s GLU 67 Cb -0.24 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.32 1n8r s GLU 67 CO 0.62 -0.05 0.74 0.99 -0.54 0.00 0.00 175.26 177.02 1n8r s THR 68 N 2.17 5.02 -0.05 -1.70 2.01 -1.26 0.42 115.64 122.24 1n8r s THR 68 Ca -0.01 1.53 0.02 0.00 0.31 0.00 0.00 61.69 63.54 1n8r s THR 68 Cb -0.03 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.42 1n8r s THR 68 CO -0.16 0.23 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.20 1n8r s VAL 69 N 0.91 0.94 0.70 3.82 1.01 0.11 -4.97 120.40 122.92 1n8r s VAL 69 Ca 0.39 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 1n8r s VAL 69 Cb -0.18 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.35 1n8r s VAL 69 CO 0.19 0.31 1.12 -2.84 0.00 0.00 0.00 175.10 173.88 1n8r s PRO 70 N 0.65 2.54 -0.22 2.72 0.02 -1.26 -1.51 135.00 137.94 1n8r s PRO 70 Ca -0.12 1.41 -0.16 0.00 0.02 0.00 0.00 61.00 62.15 1n8r s PRO 70 Cb -0.15 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.52 1n8r s PRO 70 CO 0.02 -1.46 0.55 0.08 -0.33 0.00 0.00 177.00 175.87 1n8r s VAL 71 N -2.39 -0.01 -0.18 3.83 1.01 0.31 -2.24 120.40 120.73 1n8r s VAL 71 Ca 0.67 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 1n8r s VAL 71 Cb -0.21 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1n8r s VAL 71 CO 0.45 0.01 0.27 -0.89 0.00 0.00 0.00 175.10 174.94 1n8r s THR 72 N 0.86 5.31 -0.17 3.92 2.01 0.67 -1.68 115.64 126.56 1n8r s THR 72 Ca -0.05 0.48 -0.23 0.00 0.31 0.00 0.00 61.69 62.21 1n8r s THR 72 Cb -0.05 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1n8r s THR 72 CO -0.07 0.37 0.74 -0.69 -0.69 0.00 0.00 174.62 174.27 1n8r s VAL 73 N 0.64 4.95 -0.14 3.82 1.01 0.39 -1.81 120.40 129.25 1n8r s VAL 73 Ca 0.15 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1n8r s VAL 73 Cb -0.13 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1n8r s VAL 73 CO 0.04 0.08 -0.12 -0.63 0.00 0.00 0.00 175.10 174.46 1n8r s ILE 74 N 1.94 1.44 -0.25 2.22 1.01 -0.54 -1.05 121.20 125.97 1n8r s ILE 74 Ca 0.34 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 1n8r s ILE 74 Cb -0.16 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 1n8r s ILE 74 CO 0.12 0.43 1.34 -1.61 0.00 0.00 0.00 174.94 175.23 1n8r s GLU 75 N 1.54 3.98 -0.65 2.79 2.02 -0.18 -0.62 118.70 127.58 1n8r s GLU 75 Ca 0.05 1.43 0.05 0.00 0.02 0.00 0.00 54.97 56.52 1n8r s GLU 75 Cb -0.13 -3.88 0.27 0.00 0.10 0.00 0.00 34.13 30.50 1n8r s GLU 75 CO -0.10 -1.04 0.84 0.25 0.02 0.00 0.00 175.26 175.23 1n8r n THR 76 N 6.02 2.70 -0.86 3.63 -2.24 0.31 -1.02 114.28 122.81 1n8r n THR 76 Ca 0.15 -5.35 -0.29 0.00 -2.27 0.00 0.00 64.05 56.30 1n8r n THR 76 Cb 0.46 -1.94 0.22 0.00 -2.10 0.00 0.00 70.33 66.98 1n8r n THR 76 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1n8r s PRO 77 N -2.75 -0.57 0.69 -0.78 0.02 -1.25 -4.54 135.00 125.83 1n8r s PRO 77 Ca 0.42 0.53 -0.14 0.00 0.02 0.00 0.00 61.00 61.83 1n8r s PRO 77 Cb 0.18 -1.62 0.02 0.00 0.02 0.00 0.00 34.50 33.09 1n8r s PRO 77 CO -0.04 -3.41 1.12 -2.14 -0.33 0.00 0.00 177.00 172.21 1n8r s PRO 78 N -4.81 2.60 0.52 5.54 0.02 -1.26 -4.78 135.00 132.83 1n8r s PRO 78 Ca 0.67 1.42 0.01 0.00 0.02 0.00 0.00 61.00 63.12 1n8r s PRO 78 Cb -0.20 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.41 1n8r s PRO 78 CO 0.60 -1.41 0.07 -1.33 -0.33 0.00 0.00 177.00 174.60 1n8r n MET 79 N -2.63 0.75 -3.63 5.54 2.81 -0.25 -4.39 117.12 115.31 1n8r n MET 79 Ca 0.11 -3.68 -0.23 0.00 -1.81 0.00 0.00 57.70 52.09 1n8r n MET 79 Cb 0.52 0.89 -0.17 0.00 -0.71 0.00 0.00 33.22 33.75 1n8r n MET 79 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1n8r s ARG 80 N -3.91 0.01 -0.65 0.03 0.52 -1.00 -1.44 118.95 112.51 1n8r s ARG 80 Ca 0.05 0.15 -0.27 0.00 -0.52 0.00 0.00 55.73 55.14 1n8r s ARG 80 Cb -0.00 -1.20 0.01 0.00 0.52 0.00 0.00 34.95 34.27 1n8r s ARG 80 CO 0.03 -0.52 1.52 0.00 0.02 0.00 0.00 175.30 176.35 1n8r s ALA 81 N 2.17 2.56 -1.57 2.13 0.00 0.11 -3.13 121.76 124.03 1n8r s ALA 81 Ca 0.03 -0.95 0.27 0.00 0.00 0.00 0.00 51.96 51.32 1n8r s ALA 81 Cb -0.14 -4.24 0.94 0.00 0.00 0.00 0.00 23.12 19.68 1n8r s ALA 81 CO -0.07 -3.41 1.69 0.28 0.00 0.00 0.00 175.76 174.25 1n8r n VAL 82 N 6.78 0.00 -3.58 0.00 0.31 -0.68 -3.60 118.33 117.57 1n8r n VAL 82 Ca 0.11 -0.08 -0.07 0.00 -0.01 0.00 0.00 64.34 64.30 1n8r n VAL 82 Cb 0.50 0.13 -0.02 0.00 -0.91 0.00 0.00 33.84 33.54 1n8r n VAL 82 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n8r s ALA 83 N -2.58 -1.78 -0.23 3.52 0.00 -1.20 -3.41 121.76 116.07 1n8r s ALA 83 Ca 0.24 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1n8r s ALA 83 Cb 0.19 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.84 1n8r s ALA 83 CO 0.52 -0.80 -0.10 -1.17 0.00 0.00 0.00 175.76 174.22 1n8r s LEU 84 N -2.62 2.85 -0.07 0.00 1.98 -0.58 -1.57 118.68 118.67 1n8r s LEU 84 Ca 0.07 -1.17 -0.13 0.00 -2.89 0.00 0.00 54.13 50.01 1n8r s LEU 84 Cb -0.01 -1.37 -0.05 0.00 0.66 0.00 0.00 46.19 45.42 1n8r s LEU 84 CO -0.06 -0.18 0.32 -0.60 -1.89 0.00 0.00 176.35 173.94 1n8r s ARG 85 N 1.26 3.90 -0.05 1.98 3.52 0.15 -1.51 118.95 128.22 1n8r s ARG 85 Ca -0.05 0.21 0.04 0.00 -0.13 0.00 0.00 55.73 55.80 1n8r s ARG 85 Cb -0.18 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 1n8r s ARG 85 CO -0.07 0.58 -0.17 0.00 -0.81 0.00 0.00 175.30 174.83 1n8r s ALA 86 N -0.63 2.53 0.09 6.12 0.00 -0.54 -2.26 121.76 127.07 1n8r s ALA 86 Ca 0.20 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.22 1n8r s ALA 86 Cb -0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 1n8r s ALA 86 CO 0.09 0.52 -0.10 0.71 0.00 0.00 0.00 175.76 176.98 1n8r s TYR 87 N -0.61 2.74 -0.04 0.00 1.51 -1.19 0.22 117.35 119.98 1n8r s TYR 87 Ca 0.09 -0.15 0.07 0.00 -1.01 0.00 0.00 57.07 56.06 1n8r s TYR 87 Cb -0.11 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.28 1n8r s TYR 87 CO 0.01 0.41 -0.25 -1.83 -1.11 0.00 0.00 175.55 172.78 1n8r s GLU 88 N -2.07 2.29 0.09 -0.62 -1.05 0.13 0.26 118.70 117.73 1n8r s GLU 88 Ca 0.20 -0.88 -0.30 0.00 -0.15 0.00 0.00 54.97 53.84 1n8r s GLU 88 Cb -0.11 -2.04 -0.06 0.00 -0.44 0.00 0.00 34.13 31.47 1n8r s GLU 88 CO 0.12 0.44 1.19 -0.51 0.95 0.00 0.00 175.26 177.45 1n8r s ASP 89 N -0.32 7.10 0.17 0.83 1.01 0.64 -2.69 116.67 123.40 1n8r s ASP 89 Ca 0.02 2.06 -0.01 0.00 0.71 0.00 0.00 52.55 55.33 1n8r s ASP 89 Cb -0.12 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1n8r s ASP 89 CO 0.02 -0.43 0.11 0.42 0.21 0.00 0.00 175.17 175.50 1n8r s THR 90 N 0.74 0.04 -0.41 -1.27 -4.23 -0.61 -4.94 115.64 104.97 1n8r s THR 90 Ca 0.57 -1.94 0.12 0.00 -1.18 0.00 0.00 61.69 59.26 1n8r s THR 90 Cb -0.30 -2.29 0.12 0.00 1.34 0.00 0.00 72.50 71.36 1n8r s THR 90 CO 0.31 -0.20 1.32 -2.65 -0.54 0.00 0.00 174.62 172.86 1n8r n PRO 91 N -0.20 0.08 -1.84 3.99 -0.02 -1.26 -1.72 135.00 134.02 1n8r n PRO 91 Ca -0.01 0.55 -0.19 0.00 -2.02 0.00 0.00 63.50 61.83 1n8r n PRO 91 Cb 0.65 -1.84 0.05 0.00 -0.02 0.00 0.00 33.50 32.34 1n8r n PRO 91 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1n8r n TYR 92 N -1.91 2.31 -2.28 6.00 4.02 -1.26 -5.09 117.16 118.95 1n8r n TYR 92 Ca -0.01 -2.11 0.00 0.00 -0.01 0.00 0.00 57.90 55.77 1n8r n TYR 92 Cb 0.10 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.10 1n8r n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n8r n GLY 93 N -0.76 -1.71 3.87 2.72 0.00 -0.70 -4.91 105.19 103.70 1n8r n GLY 93 Ca 0.39 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 1n8r n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n8r s GLN 94 N 0.00 3.80 -0.03 1.61 -0.21 -1.26 -1.57 119.66 122.00 1n8r s GLN 94 Ca 0.00 0.28 -0.06 0.00 0.02 0.00 0.00 55.36 55.60 1n8r s GLN 94 Cb 0.00 -2.64 0.01 0.00 1.00 0.00 0.00 33.01 31.37 1n8r s GLN 94 CO 0.00 0.32 0.15 1.03 -2.12 0.00 0.00 175.29 174.66 1n8r s ARG 95 N -2.82 0.32 0.13 2.91 0.52 -1.10 -4.95 118.95 113.98 1n8r s ARG 95 Ca 0.47 -0.07 -0.31 0.00 -0.52 0.00 0.00 55.73 55.30 1n8r s ARG 95 Cb -0.11 0.14 -0.10 0.00 0.52 0.00 0.00 34.95 35.40 1n8r s ARG 95 CO 0.21 -0.06 1.69 -2.14 0.02 0.00 0.00 175.30 175.01 1n8r s PRO 96 N -0.61 4.17 -0.02 3.54 0.02 -1.26 -0.69 135.00 140.15 1n8r s PRO 96 Ca -0.07 2.46 -0.01 0.00 0.02 0.00 0.00 61.00 63.39 1n8r s PRO 96 Cb -0.04 -3.38 -0.00 0.00 0.02 0.00 0.00 34.50 31.10 1n8r s PRO 96 CO 0.01 -0.73 -0.03 -0.11 -0.33 0.00 0.00 177.00 175.81 1n8r n LEU 97 N 4.87 0.26 0.00 -5.54 0.00 0.59 -4.85 117.00 112.32 1n8r n LEU 97 Ca 0.16 0.28 -0.08 0.00 0.00 0.00 0.00 56.01 56.37 1n8r n LEU 97 Cb 0.38 -0.55 -0.01 0.00 0.00 0.00 0.00 43.42 43.24 1n8r n LEU 97 CO 0.63 -0.49 0.17 0.41 0.00 0.00 0.00 177.39 178.11 1n8r n THR 98 N -2.60 0.00 -3.82 1.96 -1.04 -1.21 -4.99 114.28 102.58 1n8r n THR 98 Ca -0.01 -0.96 -0.12 0.00 -2.04 0.00 0.00 64.05 60.92 1n8r n THR 98 Cb 0.04 0.66 -0.12 0.00 -1.82 0.00 0.00 70.33 69.09 1n8r n THR 98 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1n8r s GLU 99 N -2.36 0.28 -0.31 -2.82 2.02 -1.26 -1.47 118.70 112.78 1n8r s GLU 99 Ca 0.16 0.12 -0.03 0.00 0.02 0.00 0.00 54.97 55.23 1n8r s GLU 99 Cb -0.01 0.13 0.05 0.00 0.10 0.00 0.00 34.13 34.39 1n8r s GLU 99 CO 0.11 -0.05 0.04 0.08 0.02 0.00 0.00 175.26 175.46 1n8r s VAL 100 N -0.23 3.25 0.36 2.63 1.01 -0.57 -4.80 120.40 122.05 1n8r s VAL 100 Ca -0.03 -1.31 0.05 0.00 0.00 0.00 0.00 61.98 60.69 1n8r s VAL 100 Cb -0.03 -2.86 0.06 0.00 0.00 0.00 0.00 36.38 33.55 1n8r s VAL 100 CO 0.01 -0.14 0.49 0.79 0.00 0.00 0.00 175.10 176.25 1n8r n TRP 101 N 4.68 -2.66 -3.43 5.22 7.02 -1.26 -1.52 117.44 125.49 1n8r n TRP 101 Ca -0.13 -1.22 0.00 0.00 -1.02 0.00 0.00 57.50 55.13 1n8r n TRP 101 Cb 0.44 -0.34 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 1n8r n TRP 101 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1n8r n THR 102 N -1.82 0.00 0.00 -0.99 -2.24 -1.22 -4.87 114.28 103.14 1n8r n THR 102 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1n8r n THR 102 Cb 0.35 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1n8r n THR 102 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1n8r n ASP 103 N -0.61 4.37 -4.54 3.42 8.00 -1.26 -4.96 116.55 120.97 1n8r n ASP 103 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1n8r n ASP 103 Cb 0.00 0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 41.70 1n8r n ASP 103 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1n8r s GLU 104 N -1.82 3.37 0.07 -1.24 2.02 -1.26 -5.01 118.70 114.83 1n8r s GLU 104 Ca 0.00 -0.13 0.06 0.00 0.02 0.00 0.00 54.97 54.93 1n8r s GLU 104 Cb 0.00 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.14 1n8r s GLU 104 CO 0.00 -1.61 -0.12 -0.06 0.02 0.00 0.00 175.26 173.49 1n8r s PHE 105 N 4.39 2.70 0.20 1.61 0.40 -1.26 -4.94 117.98 121.09 1n8r s PHE 105 Ca 0.34 -0.17 -0.31 0.00 -0.60 0.00 0.00 56.93 56.20 1n8r s PHE 105 Cb -0.11 -1.47 -0.10 0.00 0.51 0.00 0.00 43.02 41.86 1n8r s PHE 105 CO 0.20 0.37 1.48 -1.58 0.70 0.00 0.00 175.22 176.39 1n8r s HIS 106 N -1.09 3.07 0.34 0.36 5.65 -1.26 -4.84 115.29 117.53 1n8r s HIS 106 Ca 0.18 0.87 0.29 0.00 0.25 0.00 0.00 55.06 56.65 1n8r s HIS 106 Cb -0.11 -3.84 1.10 0.00 -1.18 0.00 0.00 32.58 28.55 1n8r s HIS 106 CO 0.10 -2.88 1.05 -1.13 -0.65 0.00 0.00 174.74 171.23 1n8r n SER 107 N 3.16 0.07 -1.72 9.88 3.41 -1.26 -0.99 113.62 126.17 1n8r n SER 107 Ca 0.10 0.79 -0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1n8r n SER 107 Cb 0.40 -0.39 0.07 0.00 -0.26 0.00 0.00 64.21 64.03 1n8r n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n8r n GLU 108 N -3.63 2.69 0.22 4.33 1.02 -1.26 -4.65 120.64 119.36 1n8r n GLU 108 Ca 0.29 -3.76 0.13 0.00 -0.02 0.00 0.00 57.16 53.80 1n8r n GLU 108 Cb 1.23 -1.92 0.27 0.00 -0.02 0.00 0.00 31.44 31.00 1n8r n GLU 108 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1n8r h LEU 109 N 1.86 0.00 0.00 -4.62 5.85 -1.43 -3.12 115.31 113.85 1n8r h LEU 109 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1n8r h LEU 109 Cb 1.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1n8r h LEU 109 CO 0.46 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.66 1n8r n ASP 110 N -3.04 0.00 -0.01 1.25 5.75 -1.26 -2.05 116.55 117.19 1n8r n ASP 110 Ca 0.04 -0.96 0.13 0.00 -0.01 0.00 0.00 54.79 53.99 1n8r n ASP 110 Cb 0.48 0.00 0.50 0.00 -1.03 0.00 0.00 41.12 41.08 1n8r n ASP 110 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1n8r n ARG 111 N -0.86 0.07 0.00 0.11 1.74 -1.18 -4.37 116.66 112.17 1n8r n ARG 111 Ca 0.13 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1n8r n ARG 111 Cb 0.06 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1n8r n ARG 111 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1n8r n THR 112 N -1.45 0.00 -4.19 0.55 -1.04 -0.93 -4.95 114.28 102.28 1n8r n THR 112 Ca 0.07 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.86 1n8r n THR 112 Cb 0.33 -0.75 -0.06 0.00 -1.82 0.00 0.00 70.33 68.03 1n8r n THR 112 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1n8r s LEU 113 N -4.99 3.39 -1.09 -4.42 1.43 -0.87 -5.04 118.68 107.08 1n8r s LEU 113 Ca 0.00 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 1n8r s LEU 113 Cb 0.00 -1.90 0.20 0.00 0.03 0.00 0.00 46.19 44.52 1n8r s LEU 113 CO 0.00 -0.09 1.21 -1.81 0.23 0.00 0.00 176.35 175.89 1n8r s ASP 114 N -3.77 7.04 0.13 2.29 1.01 -1.26 -4.25 116.67 117.86 1n8r s ASP 114 Ca 0.34 -2.98 -0.34 0.00 0.71 0.00 0.00 52.55 50.28 1n8r s ASP 114 Cb -0.06 -2.32 -0.17 0.00 1.01 0.00 0.00 42.92 41.38 1n8r s ASP 114 CO 0.22 -0.64 1.10 0.52 0.21 0.00 0.00 175.17 176.58 1n8r n VAL 115 N 4.12 0.73 -1.81 -1.27 0.31 -1.26 -4.88 118.33 114.27 1n8r n VAL 115 Ca 0.28 -0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 64.01 1n8r n VAL 115 Cb 0.43 -0.60 -0.02 0.00 -0.91 0.00 0.00 33.84 32.75 1n8r n VAL 115 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1n8r s PRO 116 N -0.27 4.15 -0.03 5.55 0.02 -1.26 -4.91 135.00 138.26 1n8r s PRO 116 Ca 0.77 2.53 0.09 0.00 0.02 0.00 0.00 61.00 64.40 1n8r s PRO 116 Cb -0.95 -3.05 -0.13 0.00 0.02 0.00 0.00 34.50 30.39 1n8r s PRO 116 CO 0.53 -0.62 0.15 0.39 -0.33 0.00 0.00 177.00 177.12 1n8r n GLU 117 N 2.68 0.87 -3.48 5.54 1.02 -1.26 -4.93 120.64 121.07 1n8r n GLU 117 Ca 0.10 -0.06 -0.19 0.00 -0.02 0.00 0.00 57.16 56.98 1n8r n GLU 117 Cb 0.37 -1.21 -0.13 0.00 -0.02 0.00 0.00 31.44 30.46 1n8r n GLU 117 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1n8r s ASP 118 N -3.27 1.68 0.03 1.62 1.01 -1.26 -5.14 116.67 111.34 1n8r s ASP 118 Ca -0.03 -0.45 0.01 0.00 0.71 0.00 0.00 52.55 52.78 1n8r s ASP 118 Cb 0.05 0.32 -0.02 0.00 1.01 0.00 0.00 42.92 44.28 1n8r s ASP 118 CO 0.36 -0.35 -0.05 -2.28 0.21 0.00 0.00 175.17 173.06 1n8r s HIS 119 N 2.31 0.45 -0.68 4.23 5.65 -1.26 -5.11 115.29 120.89 1n8r s HIS 119 Ca 0.07 -0.52 -0.03 0.00 0.25 0.00 0.00 55.06 54.83 1n8r s HIS 119 Cb -0.15 -0.29 0.17 0.00 -1.18 0.00 0.00 32.58 31.13 1n8r s HIS 119 CO -0.19 -0.14 0.51 0.34 -0.65 0.00 0.00 174.74 174.61 1n8r s ASP 120 N -1.53 5.40 0.17 9.88 -1.08 -1.26 -4.96 116.67 123.28 1n8r s ASP 120 Ca -0.13 -3.00 -0.15 0.00 -0.52 0.00 0.00 52.55 48.75 1n8r s ASP 120 Cb -0.10 -1.88 0.11 0.00 -1.46 0.00 0.00 42.92 39.59 1n8r s ASP 120 CO -0.00 -0.34 1.73 -0.65 0.52 0.00 0.00 175.17 176.42 1n8r h PRO 121 N 6.88 0.22 -0.07 4.34 0.11 -1.91 -2.89 132.00 138.68 1n8r h PRO 121 Ca 0.02 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1n8r h PRO 121 Cb 0.93 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1n8r h PRO 121 CO 0.73 0.15 0.01 -0.44 -0.21 0.00 0.00 178.00 178.24 1n8r h ASP 122 N 0.23 0.01 -0.79 -2.05 5.19 -1.97 0.43 116.42 117.47 1n8r h ASP 122 Ca 0.19 0.01 0.12 0.00 -0.62 0.00 0.00 57.03 56.73 1n8r h ASP 122 Cb 0.22 0.01 -0.08 0.00 0.18 0.00 0.00 39.33 39.66 1n8r h ASP 122 CO -0.24 0.02 0.39 0.00 -3.12 0.00 0.00 179.24 176.29 1n8r h ALA 123 N 1.05 1.13 0.15 3.45 0.00 -1.97 1.02 119.26 124.10 1n8r h ALA 123 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1n8r h ALA 123 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n8r h ALA 123 CO -0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 179.25 179.07 1n8r h ALA 124 N 1.50 -0.20 -0.59 0.00 0.00 -1.27 0.51 119.26 119.22 1n8r h ALA 124 Ca 0.41 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1n8r h ALA 124 Cb 0.52 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1n8r h ALA 124 CO -0.33 -0.53 0.17 1.49 0.00 0.00 0.00 179.25 180.05 1n8r h GLU 125 N -0.36 0.30 0.47 0.00 4.81 1.00 -0.34 114.58 120.46 1n8r h GLU 125 Ca -0.02 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1n8r h GLU 125 Cb 0.29 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1n8r h GLU 125 CO 0.03 0.20 -0.32 1.49 -0.73 0.00 0.00 179.01 179.68 1n8r h GLU 126 N 0.31 -0.74 -1.01 1.92 4.81 0.14 -0.19 114.58 119.82 1n8r h GLU 126 Ca 0.31 0.05 0.24 0.00 -0.13 0.00 0.00 59.36 59.83 1n8r h GLU 126 Cb 0.43 0.17 -0.10 0.00 0.63 0.00 0.00 28.75 29.88 1n8r h GLU 126 CO -0.36 -0.49 0.64 0.37 -0.73 0.00 0.00 179.01 178.44 1n8r h GLN 127 N -0.77 0.46 -0.10 1.92 4.15 -0.20 0.15 115.11 120.73 1n8r h GLN 127 Ca -0.05 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1n8r h GLN 127 Cb 0.64 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1n8r h GLN 127 CO 0.03 0.31 -0.10 0.82 -1.93 0.00 0.00 178.83 177.96 1n8r h ILE 128 N 0.48 1.36 -0.30 2.39 2.04 -0.39 -2.05 117.51 121.03 1n8r h ILE 128 Ca 0.58 -1.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.12 1n8r h ILE 128 Cb 1.33 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 39.36 1n8r h ILE 128 CO -0.31 0.35 -0.13 0.03 0.00 0.00 0.00 178.15 178.09 1n8r h ARG 129 N -0.17 0.52 -0.23 2.37 3.08 0.44 -0.42 114.38 119.98 1n8r h ARG 129 Ca 0.02 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1n8r h ARG 129 Cb 0.61 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1n8r h ARG 129 CO 0.02 0.65 0.07 -0.44 -1.07 0.00 0.00 179.97 179.20 1n8r h ASP 130 N 0.48 0.34 -0.88 7.04 3.32 -0.76 0.45 116.42 126.41 1n8r h ASP 130 Ca 0.09 -0.21 0.08 0.00 0.02 0.00 0.00 57.03 57.01 1n8r h ASP 130 Cb 0.52 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.91 1n8r h ASP 130 CO 0.03 0.45 0.54 0.00 -1.72 0.00 0.00 179.24 178.54 1n8r h ALA 131 N 0.90 1.23 -0.35 3.45 0.00 -0.88 -0.02 119.26 123.59 1n8r h ALA 131 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1n8r h ALA 131 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1n8r h ALA 131 CO -0.00 0.24 -0.17 1.25 0.00 0.00 0.00 179.25 180.57 1n8r h HIS 132 N 0.94 0.70 -0.53 0.00 -0.00 -0.61 -1.04 115.15 114.62 1n8r h HIS 132 Ca 0.40 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.37 60.63 1n8r h HIS 132 Cb 0.26 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 1n8r h HIS 132 CO -0.03 0.77 0.30 0.93 -0.00 0.00 0.00 177.93 179.89 1n8r h GLU 133 N 0.57 0.73 0.00 5.26 5.08 0.86 -1.64 114.58 125.45 1n8r h GLU 133 Ca 0.09 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1n8r h GLU 133 Cb 0.61 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1n8r h GLU 133 CO 0.04 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.61 1n8r n ALA 134 N -2.29 1.98 -2.81 3.43 0.00 -0.35 -4.93 120.51 115.55 1n8r n ALA 134 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 1n8r n ALA 134 Cb 0.08 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.18 1n8r n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 135 N 0.71 0.33 0.00 0.00 0.00 -0.48 -4.95 105.19 100.81 1n8r n GLY 135 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1n8r n GLY 135 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n8r n ASP 136 N -0.61 1.58 -4.63 1.61 8.00 -0.69 -4.99 116.55 116.82 1n8r n ASP 136 Ca -0.03 -1.71 -0.43 0.00 0.71 0.00 0.00 54.79 53.33 1n8r n ASP 136 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 1n8r n ASP 136 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1n8r s LEU 137 N -0.71 3.85 0.58 0.64 2.96 -1.23 -0.26 118.68 124.51 1n8r s LEU 137 Ca 0.00 1.14 -0.02 0.00 -0.22 0.00 0.00 54.13 55.03 1n8r s LEU 137 Cb 0.00 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.18 1n8r s LEU 137 CO 0.00 -1.09 0.84 -0.83 -1.32 0.00 0.00 176.35 173.94 1n8r s GLY 138 N 2.75 1.73 0.48 7.98 0.00 0.73 -4.77 107.32 116.22 1n8r s GLY 138 Ca 0.55 -1.12 -0.12 0.00 0.00 0.00 0.00 44.72 44.04 1n8r s GLY 138 CO 0.23 -0.82 -0.65 2.09 0.00 0.00 0.00 173.10 173.96 1n8r n ASP 139 N -2.48 -1.84 -4.09 1.64 5.75 -1.26 -3.86 116.55 110.41 1n8r n ASP 139 Ca 0.07 0.02 -0.28 0.00 -0.01 0.00 0.00 54.79 54.59 1n8r n ASP 139 Cb 0.59 -0.27 -0.17 0.00 -1.03 0.00 0.00 41.12 40.24 1n8r n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1n8r s LEU 140 N 3.81 1.80 0.09 -2.12 1.43 -1.26 -3.16 118.68 119.26 1n8r s LEU 140 Ca 0.18 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 1n8r s LEU 140 Cb 0.01 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 1n8r s LEU 140 CO 0.34 0.06 -0.11 -0.13 0.23 0.00 0.00 176.35 176.74 1n8r s ARG 141 N 0.68 0.81 -0.20 1.70 0.52 -0.96 0.13 118.95 121.63 1n8r s ARG 141 Ca -0.13 -1.07 -0.04 0.00 -0.52 0.00 0.00 55.73 53.97 1n8r s ARG 141 Cb -0.16 -0.60 -0.02 0.00 0.52 0.00 0.00 34.95 34.69 1n8r s ARG 141 CO 0.03 0.11 -0.03 -0.51 0.02 0.00 0.00 175.30 174.92 1n8r s LEU 142 N -2.18 3.04 0.02 2.53 1.43 0.32 0.34 118.68 124.18 1n8r s LEU 142 Ca 0.02 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 1n8r s LEU 142 Cb -0.06 -1.77 -0.07 0.00 0.03 0.00 0.00 46.19 44.33 1n8r s LEU 142 CO 0.01 0.04 1.63 -0.63 0.23 0.00 0.00 176.35 177.63 1n8r s ILE 143 N 1.13 3.30 0.12 -0.59 -1.09 -0.61 -1.92 121.20 121.54 1n8r s ILE 143 Ca 0.02 0.61 0.08 0.00 -2.23 0.00 0.00 60.65 59.13 1n8r s ILE 143 Cb -0.15 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 1n8r s ILE 143 CO 0.00 -0.02 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.62 1n8r s THR 144 N 3.13 1.60 0.10 2.92 2.01 0.17 -1.69 115.64 123.88 1n8r s THR 144 Ca 0.73 -1.64 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 1n8r s THR 144 Cb -0.37 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 1n8r s THR 144 CO 0.31 -0.20 0.13 -1.38 -0.69 0.00 0.00 174.62 172.78 1n8r s HIS 145 N -1.56 0.39 0.52 4.92 -3.43 -1.18 0.20 115.29 115.14 1n8r s HIS 145 Ca 0.08 -0.84 0.08 0.00 -0.80 0.00 0.00 55.06 53.59 1n8r s HIS 145 Cb -0.08 -0.21 0.05 0.00 -1.43 0.00 0.00 32.58 30.91 1n8r s HIS 145 CO 0.04 -0.53 0.61 0.95 -2.00 0.00 0.00 174.74 173.82 1n8r s THR 146 N -3.92 2.29 -0.59 -5.38 -4.23 -0.79 -2.39 115.64 100.63 1n8r s THR 146 Ca 0.10 -1.15 0.06 0.00 -1.18 0.00 0.00 61.69 59.53 1n8r s THR 146 Cb 0.06 -2.43 0.25 0.00 1.34 0.00 0.00 72.50 71.71 1n8r s THR 146 CO -0.07 0.00 0.68 0.52 -0.54 0.00 0.00 174.62 175.21 1n8r n VAL 147 N -1.97 1.65 -0.36 2.29 0.31 -1.26 -4.42 118.33 114.56 1n8r n VAL 147 Ca 0.09 -4.93 0.37 0.00 -0.01 0.00 0.00 64.34 59.86 1n8r n VAL 147 Cb 0.62 -2.07 0.76 0.00 -0.91 0.00 0.00 33.84 32.23 1n8r n VAL 147 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1n8r h PRO 148 N 4.20 0.01 0.00 5.55 0.11 -1.82 0.95 132.00 141.00 1n8r h PRO 148 Ca 0.17 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1n8r h PRO 148 Cb 0.71 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 1n8r h PRO 148 CO 0.75 0.00 -0.01 0.22 -0.21 0.00 0.00 178.00 178.75 1n8r h ASP 149 N 0.01 0.00 1.16 -2.05 3.58 -1.80 0.21 116.42 117.52 1n8r h ASP 149 Ca 0.60 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.05 1n8r h ASP 149 Cb 2.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.44 1n8r h ASP 149 CO -0.01 0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.35 1n8r n ALA 150 N -2.29 2.05 -3.91 -0.78 0.00 0.33 -4.43 120.51 111.48 1n8r n ALA 150 Ca -0.03 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 1n8r n ALA 150 Cb 0.09 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.97 1n8r n ALA 150 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n8r s VAL 151 N -3.17 2.74 0.21 0.00 1.01 0.74 -4.99 120.40 116.94 1n8r s VAL 151 Ca 0.08 -2.25 -0.09 0.00 0.00 0.00 0.00 61.98 59.72 1n8r s VAL 151 Cb 0.12 -2.95 0.14 0.00 0.00 0.00 0.00 36.38 33.69 1n8r s VAL 151 CO 0.51 -0.65 1.78 -0.65 0.00 0.00 0.00 175.10 176.09 1n8r h PRO 152 N 7.77 0.53 -0.03 2.72 0.11 -1.77 -2.26 132.00 139.07 1n8r h PRO 152 Ca -0.08 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.01 1n8r h PRO 152 Cb 1.03 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1n8r h PRO 152 CO 0.60 0.35 0.04 0.77 -0.21 0.00 0.00 178.00 179.55 1n8r h SER 153 N 0.54 0.00 -3.57 -2.05 0.02 -1.86 -3.38 113.55 103.25 1n8r h SER 153 Ca 0.30 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.57 1n8r h SER 153 Cb 0.28 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.64 1n8r h SER 153 CO -0.24 0.00 -0.20 -0.69 -1.14 0.00 0.00 176.83 174.56 1n8r s VAL 154 N -4.49 5.09 0.27 2.27 1.01 -0.85 -4.84 120.40 118.85 1n8r s VAL 154 Ca -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1n8r s VAL 154 Cb 0.14 -3.99 0.28 0.00 0.00 0.00 0.00 36.38 32.81 1n8r s VAL 154 CO 0.50 -0.34 1.66 -0.65 0.00 0.00 0.00 175.10 176.27 1n8r h PRO 155 N 8.66 0.23 -7.07 2.72 0.11 -1.83 -3.44 132.00 131.38 1n8r h PRO 155 Ca -0.27 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.29 1n8r h PRO 155 Cb 1.12 -0.05 0.12 0.00 0.11 0.00 0.00 31.00 32.30 1n8r h PRO 155 CO 0.78 0.15 0.53 -1.59 -0.21 0.00 0.00 178.00 177.66 1n8r s LYS 156 N -5.99 3.06 -0.00 1.05 -2.85 -1.26 -4.92 119.74 108.82 1n8r s LYS 156 Ca -0.12 2.02 0.00 0.00 -1.00 0.00 0.00 55.97 56.87 1n8r s LYS 156 Cb 0.24 -2.10 -0.00 0.00 -2.06 0.00 0.00 37.83 33.91 1n8r s LYS 156 CO 0.76 -1.19 0.00 1.63 0.10 0.00 0.00 175.35 176.66 1n8r n LYS 157 N -1.29 3.21 -1.58 1.78 5.02 -1.26 -4.05 118.16 119.99 1n8r n LYS 157 Ca 0.12 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.95 1n8r n LYS 157 Cb 0.47 -1.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.44 1n8r n LYS 157 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1n8r n LYS 158 N -2.10 1.86 -2.08 1.97 4.81 -1.26 -4.52 118.16 116.84 1n8r n LYS 158 Ca -0.00 0.57 -0.36 0.00 -0.87 0.00 0.00 58.31 57.66 1n8r n LYS 158 Cb 0.50 -2.90 0.02 0.00 0.02 0.00 0.00 35.03 32.68 1n8r n LYS 158 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1n8r s PRO 159 N 5.70 3.09 -0.28 1.64 0.02 -1.26 -4.85 135.00 139.06 1n8r s PRO 159 Ca 1.00 1.74 -0.12 0.00 0.02 0.00 0.00 61.00 63.65 1n8r s PRO 159 Cb -0.55 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 1n8r s PRO 159 CO 0.43 -1.09 0.22 -0.51 -0.33 0.00 0.00 177.00 175.72 1n8r s ASP 160 N -1.69 6.06 -0.13 2.53 1.01 -1.26 -4.88 116.67 118.31 1n8r s ASP 160 Ca 0.75 0.04 -0.08 0.00 0.71 0.00 0.00 52.55 53.98 1n8r s ASP 160 Cb -0.28 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1n8r s ASP 160 CO 0.31 -0.07 0.16 -0.69 0.21 0.00 0.00 175.17 175.10 1n8r s VAL 161 N 1.77 5.45 -0.20 -1.27 1.01 -1.26 -1.89 120.40 124.01 1n8r s VAL 161 Ca 0.08 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.15 1n8r s VAL 161 Cb -0.16 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 32.83 1n8r s VAL 161 CO 0.11 0.58 0.53 0.00 0.00 0.00 0.00 175.10 176.32 1n8r s MET 162 N -0.76 0.61 0.04 2.72 0.23 0.52 -4.96 119.30 117.71 1n8r s MET 162 Ca 0.15 0.76 -0.26 0.00 -1.03 0.00 0.00 55.69 55.30 1n8r s MET 162 Cb -0.12 0.28 -0.05 0.00 -1.53 0.00 0.00 34.83 33.41 1n8r s MET 162 CO 0.04 -0.08 0.82 -2.00 -2.03 0.00 0.00 175.02 171.76 1n8r s GLU 163 N 0.37 4.53 -0.07 3.16 2.12 -1.26 -0.65 118.70 126.90 1n8r s GLU 163 Ca -0.01 1.15 0.02 0.00 0.36 0.00 0.00 54.97 56.49 1n8r s GLU 163 Cb -0.04 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 30.98 1n8r s GLU 163 CO -0.00 0.20 -0.10 0.99 -0.54 0.00 0.00 175.26 175.81 1n8r s THR 164 N 0.18 0.99 0.58 -1.70 2.01 -0.81 -4.94 115.64 111.96 1n8r s THR 164 Ca 0.41 -0.37 -0.19 0.00 0.31 0.00 0.00 61.69 61.86 1n8r s THR 164 Cb -0.21 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1n8r s THR 164 CO 0.24 0.33 1.17 -0.60 -0.69 0.00 0.00 174.62 175.07 1n8r s ARG 165 N 0.90 3.10 -0.28 4.92 3.52 -1.26 -0.52 118.95 129.32 1n8r s ARG 165 Ca -0.11 1.70 0.01 0.00 -0.13 0.00 0.00 55.73 57.20 1n8r s ARG 165 Cb -0.15 -1.96 0.06 0.00 -1.56 0.00 0.00 34.95 31.34 1n8r s ARG 165 CO 0.01 -1.07 -0.05 0.08 -0.81 0.00 0.00 175.30 173.45 1n8r s VAL 166 N -1.74 2.53 -0.11 7.11 1.01 0.12 -0.85 120.40 128.46 1n8r s VAL 166 Ca 0.74 -1.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1n8r s VAL 166 Cb -0.27 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1n8r s VAL 166 CO 0.31 -0.10 0.07 -0.83 0.00 0.00 0.00 175.10 174.56 1n8r s GLY 167 N 1.17 1.99 0.14 4.51 0.00 -0.91 -4.48 107.32 109.74 1n8r s GLY 167 Ca -0.06 -0.73 -0.05 0.00 0.00 0.00 0.00 44.72 43.88 1n8r s GLY 167 CO -0.03 -0.40 0.28 0.61 0.00 0.00 0.00 173.10 173.56 1n8r n GLY 168 N 2.27 1.62 0.00 0.20 0.00 -1.26 -0.86 105.19 107.17 1n8r n GLY 168 Ca -0.19 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1n8r n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 169 N -0.19 -0.97 3.92 -0.02 0.00 -1.12 -4.69 105.19 102.12 1n8r n GLY 169 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1n8r n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n8r s SER 170 N -2.55 5.65 0.15 1.61 1.04 -1.26 -4.91 113.70 113.43 1n8r s SER 170 Ca 0.00 0.66 -0.13 0.00 0.48 0.00 0.00 55.95 56.96 1n8r s SER 170 Cb 0.00 -1.70 0.02 0.00 0.10 0.00 0.00 66.02 64.45 1n8r s SER 170 CO 0.00 -0.99 1.65 -0.37 0.98 0.00 0.00 173.24 174.51 1n8r h VAL 171 N -0.08 1.24 0.16 5.02 -1.51 -1.99 -1.12 116.25 117.98 1n8r h VAL 171 Ca -0.46 -0.85 -0.00 0.00 -1.23 0.00 0.00 66.70 64.17 1n8r h VAL 171 Cb 1.25 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 1n8r h VAL 171 CO 0.60 0.30 -0.12 0.28 -1.23 0.00 0.00 177.57 177.41 1n8r h SER 172 N 0.67 -0.31 -0.31 4.19 0.02 -1.99 0.10 113.55 115.93 1n8r h SER 172 Ca 0.15 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1n8r h SER 172 Cb 0.33 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1n8r h SER 172 CO 0.00 -0.19 0.20 0.44 -1.14 0.00 0.00 176.83 176.14 1n8r h ASP 173 N -0.29 0.35 1.18 3.07 3.32 -1.92 -2.05 116.42 120.08 1n8r h ASP 173 Ca -0.01 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1n8r h ASP 173 Cb 0.26 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1n8r h ASP 173 CO -0.01 0.25 -0.27 0.08 -1.72 0.00 0.00 179.24 177.58 1n8r h ARG 174 N 0.41 0.00 0.25 3.56 0.11 -1.11 -1.28 114.38 116.32 1n8r h ARG 174 Ca 0.12 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.18 1n8r h ARG 174 Cb -0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.04 1n8r h ARG 174 CO -0.03 0.27 -0.12 1.25 0.10 0.00 0.00 179.97 181.44 1n8r h LEU 175 N 0.00 -0.28 -0.02 0.08 6.46 -0.43 0.21 115.31 121.32 1n8r h LEU 175 Ca -0.00 -0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1n8r h LEU 175 Cb 0.93 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.89 1n8r h LEU 175 CO 0.03 -0.09 -0.23 0.44 -0.62 0.00 0.00 178.44 177.98 1n8r h ASP 176 N -0.47 -0.67 -0.91 1.25 3.32 -1.26 -0.32 116.42 117.36 1n8r h ASP 176 Ca -0.03 0.10 0.24 0.00 0.02 0.00 0.00 57.03 57.35 1n8r h ASP 176 Cb 0.35 0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.05 1n8r h ASP 176 CO 0.06 -0.29 0.40 -0.74 -1.72 0.00 0.00 179.24 176.94 1n8r h HIS 177 N -0.35 0.65 0.18 4.55 2.76 -0.91 0.15 115.15 122.18 1n8r h HIS 177 Ca 0.07 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 1n8r h HIS 177 Cb 0.44 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1n8r h HIS 177 CO -0.28 -0.09 -0.08 0.00 -1.30 0.00 0.00 177.93 176.18 1n8r h ALA 178 N 1.74 -0.24 -0.77 5.26 0.00 0.76 -2.61 119.26 123.40 1n8r h ALA 178 Ca 0.59 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.44 1n8r h ALA 178 Cb 1.16 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1n8r h ALA 178 CO -0.56 -0.53 0.43 -0.07 0.00 0.00 0.00 179.25 178.52 1n8r h LEU 179 N -0.44 0.63 0.13 0.00 3.38 0.68 -2.17 115.31 117.53 1n8r h LEU 179 Ca -0.02 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n8r h LEU 179 Cb 0.34 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1n8r h LEU 179 CO 0.04 0.38 -0.16 0.44 0.09 0.00 0.00 178.44 179.23 1n8r h ASP 180 N 0.76 -0.43 0.19 -0.43 3.32 -0.69 0.29 116.42 119.43 1n8r h ASP 180 Ca 0.36 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.46 1n8r h ASP 180 Cb 0.28 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1n8r h ASP 180 CO -0.22 -0.24 -0.52 0.40 -1.72 0.00 0.00 179.24 176.94 1n8r h ILE 181 N -0.34 0.01 -0.00 0.35 2.04 -1.14 -2.84 117.51 115.59 1n8r h ILE 181 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1n8r h ILE 181 Cb 0.33 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1n8r h ILE 181 CO -0.06 0.00 -0.31 0.58 0.00 0.00 0.00 178.15 178.36 1n8r h VAL 182 N -0.80 0.00 -0.84 1.67 2.07 -1.24 -2.53 116.25 114.58 1n8r h VAL 182 Ca -0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 1n8r h VAL 182 Cb 0.78 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.40 1n8r h VAL 182 CO -0.25 0.00 -0.25 -0.62 0.02 0.00 0.00 177.57 176.47 1n8r n GLU 183 N -4.21 -0.12 0.00 1.57 -0.58 0.08 -2.18 120.64 115.21 1n8r n GLU 183 Ca -0.04 1.31 0.00 0.00 -0.42 0.00 0.00 57.16 58.01 1n8r n GLU 183 Cb 0.23 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 1n8r n GLU 183 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1n8r n ASP 184 N -5.33 0.00 0.00 1.62 8.00 -1.08 -4.76 116.55 114.99 1n8r n ASP 184 Ca 0.12 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.19 1n8r n ASP 184 Cb 0.39 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1n8r n ASP 184 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n8r n GLY 185 N -0.86 0.52 3.44 0.44 0.00 -0.92 -4.90 105.19 102.90 1n8r n GLY 185 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1n8r n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 186 N 0.00 1.29 3.66 -0.02 0.00 -0.97 -4.51 105.19 104.64 1n8r n GLY 186 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1n8r n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n8r s GLU 187 N -0.17 4.15 0.11 1.61 2.12 -1.26 0.08 118.70 125.33 1n8r s GLU 187 Ca 0.00 2.55 -0.05 0.00 0.36 0.00 0.00 54.97 57.83 1n8r s GLU 187 Cb 0.00 -4.08 -0.02 0.00 0.26 0.00 0.00 34.13 30.29 1n8r s GLU 187 CO 0.00 -0.93 0.13 -3.38 -0.54 0.00 0.00 175.26 170.55 1n8r s HIS 188 N 4.22 0.46 0.17 5.30 -3.43 -0.52 -4.96 115.29 116.53 1n8r s HIS 188 Ca 0.86 -0.89 0.02 0.00 -0.80 0.00 0.00 55.06 54.25 1n8r s HIS 188 Cb -0.42 -0.23 -0.05 0.00 -1.43 0.00 0.00 32.58 30.46 1n8r s HIS 188 CO 0.39 -0.55 -0.02 0.00 -2.00 0.00 0.00 174.74 172.57 1n8r s ALA 189 N -3.95 1.37 0.37 -1.38 0.00 -1.26 -1.09 121.76 115.82 1n8r s ALA 189 Ca 0.13 -1.57 0.16 0.00 0.00 0.00 0.00 51.96 50.68 1n8r s ALA 189 Cb 0.06 0.45 1.08 0.00 0.00 0.00 0.00 23.12 24.70 1n8r s ALA 189 CO -0.05 -0.28 1.72 1.98 0.00 0.00 0.00 175.76 179.13 1n8r h MET 190 N 2.71 0.38 -0.74 0.00 4.05 -1.86 0.27 114.93 119.74 1n8r h MET 190 Ca -0.37 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.05 1n8r h MET 190 Cb 1.20 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.87 1n8r h MET 190 CO 0.63 0.25 0.47 -0.91 0.23 0.00 0.00 176.91 177.59 1n8r h ASN 191 N 0.40 0.79 0.19 1.39 2.35 -1.95 0.53 115.58 119.27 1n8r h ASN 191 Ca 0.67 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.41 1n8r h ASN 191 Cb 1.59 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.78 1n8r h ASN 191 CO -0.43 0.56 0.00 0.47 -1.65 0.00 0.00 177.43 176.37 1n8r n ASP 192 N -4.62 0.01 0.00 5.81 8.00 0.95 -3.72 116.55 122.99 1n8r n ASP 192 Ca 0.08 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.08 1n8r n ASP 192 Cb 0.07 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1n8r n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1n8r n ILE 193 N -1.51 0.07 -4.12 0.53 5.41 -1.00 -4.89 119.36 113.85 1n8r n ILE 193 Ca 0.01 0.02 -0.26 0.00 1.00 0.00 0.00 62.75 63.53 1n8r n ILE 193 Cb 0.06 -1.36 -0.06 0.00 -0.71 0.00 0.00 39.64 37.58 1n8r n ILE 193 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1n8r s PHE 194 N -2.00 3.06 -0.00 1.39 0.40 0.14 -5.07 117.98 115.90 1n8r s PHE 194 Ca 0.00 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.31 1n8r s PHE 194 Cb 0.00 -1.46 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 1n8r s PHE 194 CO 0.00 0.52 -0.14 0.50 0.70 0.00 0.00 175.22 176.80 1n8r s ARG 195 N -3.16 1.13 0.12 0.44 6.06 -1.26 -4.29 118.95 117.99 1n8r s ARG 195 Ca 0.30 -0.55 -0.32 0.00 -2.50 0.00 0.00 55.73 52.67 1n8r s ARG 195 Cb -0.10 -1.10 -0.11 0.00 0.06 0.00 0.00 34.95 33.70 1n8r s ARG 195 CO 0.22 0.30 1.81 0.00 -2.50 0.00 0.00 175.30 175.13 1n8r n ALA 196 N 2.60 2.08 0.00 6.12 0.00 -1.26 -2.34 120.51 127.70 1n8r n ALA 196 Ca -0.15 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1n8r n ALA 196 Cb 0.55 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1n8r n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 197 N 4.16 1.70 3.86 0.00 0.00 0.66 0.12 105.19 115.69 1n8r n GLY 197 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1n8r n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8r s GLU 198 N 0.00 3.74 -0.20 1.61 2.02 -0.99 -3.91 118.70 120.98 1n8r s GLU 198 Ca 0.00 0.82 -0.13 0.00 0.02 0.00 0.00 54.97 55.68 1n8r s GLU 198 Cb 0.00 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 1n8r s GLU 198 CO 0.00 -0.44 0.27 0.71 0.02 0.00 0.00 175.26 175.82 1n8r s TYR 199 N -2.94 3.39 0.20 1.61 1.51 -1.26 -1.01 117.35 118.84 1n8r s TYR 199 Ca 0.56 0.46 0.11 0.00 -1.01 0.00 0.00 57.07 57.20 1n8r s TYR 199 Cb -0.11 -2.36 -0.04 0.00 -0.11 0.00 0.00 41.96 39.34 1n8r s TYR 199 CO 0.44 0.12 -0.22 0.00 -1.11 0.00 0.00 175.55 174.78 1n8r s ALA 200 N 0.88 2.46 -0.21 3.71 0.00 0.21 -0.27 121.76 128.53 1n8r s ALA 200 Ca 0.14 -1.65 -0.10 0.00 0.00 0.00 0.00 51.96 50.34 1n8r s ALA 200 Cb -0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1n8r s ALA 200 CO 0.05 0.36 0.13 -0.51 0.00 0.00 0.00 175.76 175.78 1n8r s ASP 201 N -2.83 6.14 -0.23 0.00 1.01 0.29 0.77 116.67 121.82 1n8r s ASP 201 Ca 0.21 0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.62 1n8r s ASP 201 Cb -0.07 -2.08 -0.00 0.00 1.01 0.00 0.00 42.92 41.77 1n8r s ASP 201 CO 0.10 0.15 -0.03 -0.69 0.21 0.00 0.00 175.17 174.92 1n8r s VAL 202 N 0.53 3.42 0.12 -1.27 1.01 -0.75 -2.31 120.40 121.15 1n8r s VAL 202 Ca 0.08 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1n8r s VAL 202 Cb -0.12 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1n8r s VAL 202 CO -0.00 0.36 0.14 0.00 0.00 0.00 0.00 175.10 175.59 1n8r s ALA 203 N 1.47 3.66 0.00 5.51 0.00 -0.72 -0.84 121.76 130.83 1n8r s ALA 203 Ca 0.05 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1n8r s ALA 203 Cb -0.15 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1n8r s ALA 203 CO -0.03 0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1n8r n GLY 204 N -0.02 1.25 3.57 0.00 0.00 -0.56 -1.50 105.19 107.93 1n8r n GLY 204 Ca -0.08 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1n8r n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8r s VAL 205 N -2.00 4.49 1.10 1.61 1.01 -1.26 -1.22 120.40 124.13 1n8r s VAL 205 Ca 0.00 0.81 -0.19 0.00 0.00 0.00 0.00 61.98 62.60 1n8r s VAL 205 Cb 0.00 -4.42 0.07 0.00 0.00 0.00 0.00 36.38 32.03 1n8r s VAL 205 CO 0.00 -0.79 -0.13 0.35 0.00 0.00 0.00 175.10 174.53 1n8r n THR 206 N 6.35 0.00 -2.17 3.92 -2.24 0.13 -3.79 114.28 116.49 1n8r n THR 206 Ca 0.06 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 1n8r n THR 206 Cb 0.48 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 1n8r n THR 206 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1n8r s LYS 207 N -3.31 4.36 0.06 -0.78 1.02 -1.26 -2.60 119.74 117.23 1n8r s LYS 207 Ca 0.54 2.11 -0.25 0.00 0.02 0.00 0.00 55.97 58.40 1n8r s LYS 207 Cb -0.10 -3.17 -0.06 0.00 -0.52 0.00 0.00 37.83 33.97 1n8r s LYS 207 CO 0.66 -0.30 0.76 0.20 -0.92 0.00 0.00 175.35 175.75 1n8r s GLY 208 N 0.36 2.80 -0.04 -3.33 0.00 -1.26 -2.85 107.32 102.99 1n8r s GLY 208 Ca 0.57 0.28 0.06 0.00 0.00 0.00 0.00 44.72 45.63 1n8r s GLY 208 CO 0.39 1.03 1.02 0.28 0.00 0.00 0.00 173.10 175.82 1n8r n LYS 209 N 2.59 2.17 0.00 2.90 5.02 -0.56 -4.88 118.16 125.39 1n8r n LYS 209 Ca -0.03 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.47 1n8r n LYS 209 Cb 0.50 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1n8r n LYS 209 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n8r n GLY 210 N -0.77 1.92 3.83 0.72 0.00 -1.20 -4.64 105.19 105.04 1n8r n GLY 210 Ca 0.05 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 1n8r n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n8r s THR 211 N 0.00 4.90 0.05 2.61 -4.23 -1.26 -0.01 115.64 117.70 1n8r s THR 211 Ca 0.00 0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 61.45 1n8r s THR 211 Cb 0.00 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 1n8r s THR 211 CO 0.00 0.52 0.04 -1.10 -0.54 0.00 0.00 174.62 173.53 1n8r s GLN 212 N -1.24 0.58 0.98 3.99 -1.52 -0.05 -4.90 119.66 117.50 1n8r s GLN 212 Ca 0.28 -0.94 -0.13 0.00 -1.95 0.00 0.00 55.36 52.62 1n8r s GLN 212 Cb -0.17 0.22 0.18 0.00 -0.22 0.00 0.00 33.01 33.01 1n8r s GLN 212 CO 0.16 -0.13 1.13 0.20 -0.25 0.00 0.00 175.29 176.41 1n8r s GLY 213 N -2.42 1.58 0.20 3.09 0.00 -1.26 -2.46 107.32 106.05 1n8r s GLY 213 Ca -0.01 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 1n8r s GLY 213 CO -0.07 0.06 1.80 -2.55 0.00 0.00 0.00 173.10 172.34 1n8r h PRO 214 N -1.77 0.58 -0.33 2.90 0.11 -1.81 0.13 132.00 131.82 1n8r h PRO 214 Ca -0.51 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.64 1n8r h PRO 214 Cb 1.32 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 1n8r h PRO 214 CO 0.56 0.39 -0.20 0.28 -0.21 0.00 0.00 178.00 178.82 1n8r h VAL 215 N 0.60 0.44 0.20 3.15 2.07 -1.82 1.13 116.25 122.02 1n8r h VAL 215 Ca 0.27 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.50 1n8r h VAL 215 Cb 0.17 0.44 0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1n8r h VAL 215 CO -0.18 0.00 -1.33 0.50 0.02 0.00 0.00 177.57 176.59 1n8r h LYS 216 N -0.15 0.42 -0.38 1.57 3.64 -1.83 -1.73 116.57 118.11 1n8r h LYS 216 Ca 0.17 -0.72 -0.13 0.00 -1.27 0.00 0.00 60.65 58.69 1n8r h LYS 216 Cb 0.41 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1n8r h LYS 216 CO -0.42 1.35 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.73 1n8r h ARG 217 N -0.05 0.86 -0.00 1.90 2.43 -0.53 -3.36 114.38 115.63 1n8r h ARG 217 Ca -0.24 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 1n8r h ARG 217 Cb 1.97 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 1n8r h ARG 217 CO 0.21 1.06 -0.16 0.91 -1.51 0.00 0.00 179.97 180.48 1n8r n TRP 218 N -4.17 0.00 -1.82 2.20 7.02 0.38 -5.01 117.44 116.05 1n8r n TRP 218 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1n8r n TRP 218 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 1n8r n TRP 218 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1n8r n GLY 219 N 1.04 0.40 3.84 6.99 0.00 -0.48 -2.92 105.19 114.05 1n8r n GLY 219 Ca 0.01 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1n8r n GLY 219 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n8r s VAL 220 N -2.00 4.36 1.22 1.61 -7.23 -1.23 -4.91 120.40 112.22 1n8r s VAL 220 Ca 0.00 0.94 -0.19 0.00 -1.81 0.00 0.00 61.98 60.93 1n8r s VAL 220 Cb 0.00 -3.64 0.29 0.00 0.56 0.00 0.00 36.38 33.59 1n8r s VAL 220 CO 0.00 -0.83 1.07 -1.10 -0.31 0.00 0.00 175.10 173.93 1n8r s GLN 221 N -4.59 -1.36 0.17 4.82 -0.21 -1.26 -4.35 119.66 112.87 1n8r s GLN 221 Ca 0.58 0.09 0.05 0.00 0.02 0.00 0.00 55.36 56.11 1n8r s GLN 221 Cb -0.12 -1.57 -0.04 0.00 1.00 0.00 0.00 33.01 32.29 1n8r s GLN 221 CO 0.44 -3.84 0.16 0.15 -2.12 0.00 0.00 175.29 170.08 1n8r s LYS 222 N -5.23 2.98 0.52 2.91 1.02 -1.26 -4.79 119.74 115.89 1n8r s LYS 222 Ca 0.70 -0.84 -0.21 0.00 0.02 0.00 0.00 55.97 55.64 1n8r s LYS 222 Cb -0.12 -2.69 -0.08 0.00 -0.52 0.00 0.00 37.83 34.41 1n8r s LYS 222 CO 0.57 0.49 0.89 0.54 -0.92 0.00 0.00 175.35 176.92 1n8r n ARG 223 N -0.41 1.01 -4.22 1.68 5.12 -0.40 -4.96 116.66 114.47 1n8r n ARG 223 Ca -0.08 0.37 -0.24 0.00 -1.93 0.00 0.00 57.85 55.98 1n8r n ARG 223 Cb 0.55 -2.02 -0.07 0.00 -1.16 0.00 0.00 32.46 29.76 1n8r n ARG 223 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1n8r s LYS 224 N -2.30 2.25 1.81 5.56 -0.14 -1.26 -4.50 119.74 121.16 1n8r s LYS 224 Ca 0.69 -1.59 0.00 0.00 -1.36 0.00 0.00 55.97 53.71 1n8r s LYS 224 Cb -0.48 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 33.58 1n8r s LYS 224 CO 0.53 0.17 0.00 0.41 -0.76 0.00 0.00 175.35 175.70 1n8r n GLY 225 N -1.03 2.74 0.22 -3.33 0.00 -1.26 -1.46 105.19 101.08 1n8r n GLY 225 Ca -0.04 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1n8r n GLY 225 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1n8r h LYS 226 N 0.00 0.00 0.00 1.61 3.64 -2.02 -2.31 116.57 117.49 1n8r h LYS 226 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1n8r h LYS 226 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1n8r h LYS 226 CO 0.00 0.20 -0.13 0.45 -2.27 0.00 0.00 179.45 177.71 1n8r h HIS 227 N 0.00 0.00 0.00 1.91 3.86 -1.62 -2.25 115.15 117.04 1n8r h HIS 227 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1n8r h HIS 227 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1n8r h HIS 227 CO 0.00 0.13 0.00 0.00 0.86 0.00 0.00 177.93 178.92 1n8r n ALA 228 N -2.39 2.28 0.26 2.45 0.00 -0.87 -3.30 120.51 118.94 1n8r n ALA 228 Ca -0.02 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.34 1n8r n ALA 228 Cb 0.21 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 1n8r n ALA 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n8r n ARG 229 N -1.26 2.67 0.20 0.00 1.74 -0.85 -4.72 116.66 114.44 1n8r n ARG 229 Ca 0.12 -0.03 0.06 0.00 -0.77 0.00 0.00 57.85 57.23 1n8r n ARG 229 Cb 0.19 -1.03 0.43 0.00 -1.02 0.00 0.00 32.46 31.03 1n8r n ARG 229 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1n8r h GLN 230 N 0.00 0.00 0.00 5.56 1.08 -1.55 -3.45 115.11 116.75 1n8r h GLN 230 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1n8r h GLN 230 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1n8r h GLN 230 CO 0.00 0.32 0.00 0.41 -0.95 0.00 0.00 178.83 178.61 1n8r n GLY 231 N -0.28 -0.20 3.04 3.46 0.00 -1.26 -5.12 105.19 104.82 1n8r n GLY 231 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1n8r n GLY 231 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n8r s TRP 232 N 0.00 2.07 0.00 1.61 0.51 -1.26 -4.99 118.94 116.88 1n8r s TRP 232 Ca 0.00 -1.08 0.00 0.00 -2.12 0.00 0.00 56.10 52.90 1n8r s TRP 232 Cb 0.00 -1.51 0.00 0.00 -0.81 0.00 0.00 33.47 31.15 1n8r s TRP 232 CO 0.00 -0.58 0.00 0.54 -0.51 0.00 0.00 176.95 176.40 1n8r n ARG 233 N 4.50 0.00 -2.42 4.98 1.74 -1.26 -4.16 116.66 120.05 1n8r n ARG 233 Ca -0.18 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.74 1n8r n ARG 233 Cb 0.51 -0.58 0.02 0.00 -1.02 0.00 0.00 32.46 31.39 1n8r n ARG 233 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1n8r n ARG 234 N -2.82 2.76 -4.59 5.56 1.74 -1.26 -1.27 116.66 116.78 1n8r n ARG 234 Ca 0.00 -3.96 -0.26 0.00 -0.77 0.00 0.00 57.85 52.87 1n8r n ARG 234 Cb 0.46 -1.96 -0.17 0.00 -1.02 0.00 0.00 32.46 29.77 1n8r n ARG 234 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1n8r s ARG 235 N -3.57 1.83 1.24 5.56 0.52 -1.26 -4.59 118.95 118.68 1n8r s ARG 235 Ca 0.41 -0.45 -0.18 0.00 -0.52 0.00 0.00 55.73 54.99 1n8r s ARG 235 Cb 0.39 -1.52 0.26 0.00 0.52 0.00 0.00 34.95 34.61 1n8r s ARG 235 CO -0.03 0.02 0.59 0.44 0.02 0.00 0.00 175.30 176.34 1n8r n ILE 236 N 3.88 0.00 -0.06 1.52 -5.35 -1.26 -4.82 119.36 113.26 1n8r n ILE 236 Ca -0.22 -0.15 -0.14 0.00 -0.27 0.00 0.00 62.75 61.97 1n8r n ILE 236 Cb 0.52 -0.78 -0.06 0.00 -1.74 0.00 0.00 39.64 37.57 1n8r n ILE 236 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1n8r h GLY 237 N -2.96 0.55 -3.31 3.28 0.00 -2.00 -3.47 103.07 95.15 1n8r h GLY 237 Ca -0.42 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 46.34 1n8r h GLY 237 CO 0.29 0.54 0.32 0.54 0.00 0.00 0.00 176.54 178.23 1n8r s ASN 238 N -6.37 -0.50 0.00 0.19 4.22 -1.26 -5.02 114.94 106.21 1n8r s ASN 238 Ca -0.13 0.10 0.17 0.00 -2.14 0.00 0.00 52.86 50.85 1n8r s ASN 238 Cb 0.06 0.50 0.79 0.00 1.28 0.00 0.00 41.25 43.89 1n8r s ASN 238 CO 0.79 -0.78 1.54 0.18 -2.04 0.00 0.00 177.10 176.79 1n8r n LEU 239 N -0.13 0.75 0.00 3.54 4.77 -1.26 -4.99 117.00 119.67 1n8r n LEU 239 Ca -0.14 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1n8r n LEU 239 Cb 0.63 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1n8r n LEU 239 CO 0.13 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1n8r n GLY 240 N 0.90 1.30 3.84 -0.72 0.00 -1.26 -4.34 105.19 104.91 1n8r n GLY 240 Ca 0.13 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1n8r n GLY 240 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n8r s PRO 241 N -1.13 0.96 0.17 1.61 0.04 -1.26 -4.98 135.00 130.42 1n8r s PRO 241 Ca 0.00 0.01 -0.14 0.00 0.04 0.00 0.00 61.00 60.91 1n8r s PRO 241 Cb 0.00 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.78 1n8r s PRO 241 CO 0.00 -2.26 1.82 2.35 0.04 0.00 0.00 177.00 178.95 1n8r h TRP 242 N -1.54 0.60 -3.67 0.56 2.91 -2.01 -3.42 115.95 109.38 1n8r h TRP 242 Ca -0.47 0.02 -0.45 0.00 1.13 0.00 0.00 58.89 59.11 1n8r h TRP 242 Cb 1.30 -0.20 -0.32 0.00 -0.51 0.00 0.00 29.16 29.44 1n8r h TRP 242 CO -0.37 0.35 -0.79 -0.80 -1.03 0.00 0.00 178.44 175.80 1n8r s ASN 243 N -5.61 1.36 0.04 2.65 0.01 -1.26 -2.74 114.94 109.39 1n8r s ASN 243 Ca -0.13 -0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 51.50 1n8r s ASN 243 Cb 0.13 -0.48 -0.07 0.00 0.41 0.00 0.00 41.25 41.24 1n8r s ASN 243 CO 0.74 0.05 1.55 -2.16 -1.51 0.00 0.00 177.10 175.76 1n8r s PRO 244 N 0.41 4.23 -0.86 -0.60 0.04 -1.26 -5.06 135.00 131.90 1n8r s PRO 244 Ca -0.07 2.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.91 1n8r s PRO 244 Cb -0.11 -3.58 -0.16 0.00 0.04 0.00 0.00 34.50 30.68 1n8r s PRO 244 CO 0.01 -0.67 1.90 -1.13 0.04 0.00 0.00 177.00 177.16 1n8r n SER 245 N 5.49 2.46 -3.63 6.66 3.41 -1.11 -4.66 113.62 122.24 1n8r n SER 245 Ca 0.15 -2.65 -0.03 0.00 -0.26 0.00 0.00 58.87 56.08 1n8r n SER 245 Cb 0.42 -1.33 -0.04 0.00 -0.26 0.00 0.00 64.21 63.00 1n8r n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n8r s ARG 246 N 6.06 0.12 -0.26 4.33 1.70 -1.26 -5.13 118.95 124.50 1n8r s ARG 246 Ca 0.65 0.02 -0.22 0.00 -0.47 0.00 0.00 55.73 55.71 1n8r s ARG 246 Cb 0.07 0.06 -0.01 0.00 -0.57 0.00 0.00 34.95 34.50 1n8r s ARG 246 CO 0.16 -0.04 0.69 0.08 -1.08 0.00 0.00 175.30 175.11 1n8r s VAL 247 N -1.18 4.93 0.69 4.99 1.01 -1.26 -4.90 120.40 124.68 1n8r s VAL 247 Ca 0.08 1.20 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 1n8r s VAL 247 Cb -0.01 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.38 1n8r s VAL 247 CO -0.06 -0.04 1.12 -0.13 0.00 0.00 0.00 175.10 175.99 1n8r s ARG 248 N 2.64 2.57 0.15 2.72 0.52 -1.26 -4.92 118.95 121.36 1n8r s ARG 248 Ca 0.29 1.43 0.26 0.00 -0.52 0.00 0.00 55.73 57.19 1n8r s ARG 248 Cb -0.15 -1.92 0.94 0.00 0.52 0.00 0.00 34.95 34.34 1n8r s ARG 248 CO 0.09 -1.43 1.80 -1.13 0.02 0.00 0.00 175.30 174.65 1n8r n SER 249 N -2.65 0.56 0.00 0.23 3.41 -1.26 -3.18 113.62 110.73 1n8r n SER 249 Ca 0.11 0.56 0.14 0.00 -0.26 0.00 0.00 58.87 59.41 1n8r n SER 249 Cb 0.52 -0.71 0.65 0.00 -0.26 0.00 0.00 64.21 64.42 1n8r n SER 249 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n8r n THR 250 N -2.03 0.08 -2.99 6.66 -2.24 -1.26 -4.76 114.28 107.74 1n8r n THR 250 Ca 0.06 0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.46 1n8r n THR 250 Cb 0.38 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.02 1n8r n THR 250 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n8r s VAL 251 N -2.79 4.91 -0.15 2.28 0.11 -1.19 -4.98 120.40 118.58 1n8r s VAL 251 Ca 0.20 1.57 -0.29 0.00 -2.93 0.00 0.00 61.98 60.53 1n8r s VAL 251 Cb 0.19 -4.09 -0.06 0.00 -1.53 0.00 0.00 36.38 30.89 1n8r s VAL 251 CO 0.47 0.29 2.03 -2.16 -3.33 0.00 0.00 175.10 172.40 1n8r s PRO 252 N 0.48 3.53 0.34 1.54 0.04 -1.26 -4.99 135.00 134.69 1n8r s PRO 252 Ca 0.39 2.10 0.03 0.00 0.04 0.00 0.00 61.00 63.56 1n8r s PRO 252 Cb -0.19 -4.25 -0.05 0.00 0.04 0.00 0.00 34.50 30.05 1n8r s PRO 252 CO 0.21 -1.65 0.08 -0.65 0.04 0.00 0.00 177.00 175.03 1n8r s GLN 253 N 5.52 1.71 0.76 4.56 -0.21 -1.26 -4.85 119.66 125.90 1n8r s GLN 253 Ca 0.91 -1.98 -0.13 0.00 0.02 0.00 0.00 55.36 54.19 1n8r s GLN 253 Cb -0.34 -0.78 0.06 0.00 1.00 0.00 0.00 33.01 32.95 1n8r s GLN 253 CO 0.36 -0.27 1.13 -1.14 -2.12 0.00 0.00 175.29 173.25 1n8r s GLN 254 N -3.86 2.11 0.00 2.91 -0.44 -1.26 -4.58 119.66 114.54 1n8r s GLN 254 Ca 0.33 1.44 0.00 0.00 -2.50 0.00 0.00 55.36 54.63 1n8r s GLN 254 Cb 0.07 -1.86 0.00 0.00 -1.64 0.00 0.00 33.01 29.58 1n8r s GLN 254 CO 0.15 -1.79 0.00 0.41 0.50 0.00 0.00 175.29 174.56 1n8r n GLY 255 N -0.37 -1.37 3.70 2.59 0.00 -1.03 -4.98 105.19 103.73 1n8r n GLY 255 Ca 0.11 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1n8r n GLY 255 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n8r s GLN 256 N -1.65 4.21 -0.07 1.61 -0.44 -1.26 -0.87 119.66 121.20 1n8r s GLN 256 Ca 0.00 2.32 0.00 0.00 -2.50 0.00 0.00 55.36 55.19 1n8r s GLN 256 Cb 0.00 -3.47 0.02 0.00 -1.64 0.00 0.00 33.01 27.93 1n8r s GLN 256 CO 0.00 -0.69 -0.04 0.95 0.50 0.00 0.00 175.29 176.01 1n8r s THR 257 N 2.18 0.63 0.00 -0.34 -4.23 0.99 -4.65 115.64 110.22 1n8r s THR 257 Ca 0.72 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1n8r s THR 257 Cb -0.41 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 72.75 1n8r s THR 257 CO 0.32 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.28 1n8r n GLY 258 N 4.51 1.88 2.81 3.99 0.00 -1.26 -1.49 105.19 115.63 1n8r n GLY 258 Ca -0.17 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 1n8r n GLY 258 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1n8r n TYR 259 N 1.88 -1.73 -4.29 1.61 9.36 -1.07 -4.58 117.16 118.35 1n8r n TYR 259 Ca 0.00 0.68 -0.21 0.00 3.32 0.00 0.00 57.90 61.69 1n8r n TYR 259 Cb 0.00 -4.06 -0.13 0.00 -0.63 0.00 0.00 39.34 34.53 1n8r n TYR 259 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1n8r s HIS 260 N -3.28 1.42 0.27 2.98 3.76 -1.26 -1.85 115.29 117.33 1n8r s HIS 260 Ca 0.15 -0.41 -0.28 0.00 -0.15 0.00 0.00 55.06 54.36 1n8r s HIS 260 Cb -0.02 -0.80 -0.09 0.00 1.11 0.00 0.00 32.58 32.77 1n8r s HIS 260 CO 0.55 0.09 0.94 -1.14 -0.85 0.00 0.00 174.74 174.33 1n8r s GLN 261 N -1.58 4.73 -0.06 1.40 0.74 -1.26 0.20 119.66 123.83 1n8r s GLN 261 Ca 0.02 1.41 -0.04 0.00 0.05 0.00 0.00 55.36 56.79 1n8r s GLN 261 Cb -0.09 -3.07 0.03 0.00 1.10 0.00 0.00 33.01 30.97 1n8r s GLN 261 CO 0.02 0.42 0.15 1.03 -0.55 0.00 0.00 175.29 176.37 1n8r s ARG 262 N -1.55 0.14 -0.51 1.67 1.81 -0.36 -4.91 118.95 115.24 1n8r s ARG 262 Ca 0.45 0.29 -0.05 0.00 -1.72 0.00 0.00 55.73 54.70 1n8r s ARG 262 Cb -0.23 -0.03 0.13 0.00 -0.45 0.00 0.00 34.95 34.37 1n8r s ARG 262 CO 0.28 -0.08 0.33 0.99 -0.68 0.00 0.00 175.30 176.14 1n8r s THR 263 N 0.57 3.70 -0.45 0.02 2.01 -1.26 -1.50 115.64 118.72 1n8r s THR 263 Ca -0.04 -2.30 -0.28 0.00 0.31 0.00 0.00 61.69 59.37 1n8r s THR 263 Cb -0.06 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 69.02 1n8r s THR 263 CO -0.03 -0.78 1.10 -0.70 -0.69 0.00 0.00 174.62 173.52 1n8r s GLU 264 N 0.77 3.75 0.56 4.92 2.12 -0.02 -4.89 118.70 125.91 1n8r s GLU 264 Ca 0.11 0.58 -0.18 0.00 0.36 0.00 0.00 54.97 55.84 1n8r s GLU 264 Cb -0.22 -3.89 -0.05 0.00 0.26 0.00 0.00 34.13 30.24 1n8r s GLU 264 CO -0.03 -1.29 1.08 -0.51 -0.54 0.00 0.00 175.26 173.97 1n8r s LEU 265 N 4.23 3.64 -0.98 2.70 1.02 -1.26 -1.81 118.68 126.21 1n8r s LEU 265 Ca 0.46 1.99 -0.12 0.00 0.02 0.00 0.00 54.13 56.47 1n8r s LEU 265 Cb -0.08 -4.56 -0.00 0.00 0.02 0.00 0.00 46.19 41.57 1n8r s LEU 265 CO 0.29 -1.18 0.72 0.59 0.02 0.00 0.00 176.35 176.79 1n8r n ASN 266 N -1.63 -5.64 -4.55 2.29 3.02 -1.25 -4.95 115.26 102.56 1n8r n ASN 266 Ca 0.10 -0.84 -0.39 0.00 -0.03 0.00 0.00 54.58 53.43 1n8r n ASN 266 Cb 0.52 -3.22 -0.11 0.00 -0.61 0.00 0.00 39.78 36.36 1n8r n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n8r s LYS 267 N -5.21 3.76 0.16 3.52 -0.14 0.23 -4.85 119.74 117.20 1n8r s LYS 267 Ca 0.26 -0.45 -0.30 0.00 -1.36 0.00 0.00 55.97 54.12 1n8r s LYS 267 Cb -0.10 -3.67 -0.08 0.00 -1.68 0.00 0.00 37.83 32.31 1n8r s LYS 267 CO 0.86 -0.27 1.26 0.50 -0.76 0.00 0.00 175.35 176.94 1n8r s ARG 268 N 1.73 4.43 -0.64 1.68 3.52 -1.26 -0.62 118.95 127.78 1n8r s ARG 268 Ca 0.07 1.94 -0.20 0.00 -0.13 0.00 0.00 55.73 57.40 1n8r s ARG 268 Cb -0.16 -3.25 0.10 0.00 -1.56 0.00 0.00 34.95 30.08 1n8r s ARG 268 CO 0.10 -0.22 0.83 -0.51 -0.81 0.00 0.00 175.30 174.69 1n8r s LEU 269 N 0.23 5.05 0.38 -0.88 1.43 -0.18 -1.26 118.68 123.44 1n8r s LEU 269 Ca 0.57 -1.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.39 1n8r s LEU 269 Cb -0.34 -2.35 0.76 0.00 0.03 0.00 0.00 46.19 44.30 1n8r s LEU 269 CO 0.35 -1.22 1.94 0.40 0.23 0.00 0.00 176.35 178.05 1n8r h ILE 270 N 5.91 1.16 -1.33 -0.59 1.08 -1.30 0.19 117.51 122.63 1n8r h ILE 270 Ca -0.25 -0.64 0.14 0.00 -0.39 0.00 0.00 64.86 63.72 1n8r h ILE 270 Cb 1.08 0.99 -0.28 0.00 -3.07 0.00 0.00 36.82 35.54 1n8r h ILE 270 CO 1.12 0.21 0.70 -0.62 -0.69 0.00 0.00 178.15 178.88 1n8r s ASP 271 N -6.81 -0.23 -0.21 1.72 2.15 -1.18 -4.60 116.67 107.50 1n8r s ASP 271 Ca -0.07 0.36 0.01 0.00 0.43 0.00 0.00 52.55 53.29 1n8r s ASP 271 Cb 0.16 0.34 0.05 0.00 -0.30 0.00 0.00 42.92 43.17 1n8r s ASP 271 CO 0.74 -0.14 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.88 1n8r s ILE 272 N -0.44 1.64 0.00 4.11 1.01 -1.26 0.16 121.20 126.42 1n8r s ILE 272 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.57 1n8r s ILE 272 Cb -0.03 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1n8r s ILE 272 CO -0.07 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1n8r n GLY 273 N 4.66 5.03 3.55 6.18 0.00 -0.59 -4.98 105.19 119.04 1n8r n GLY 273 Ca -0.14 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 1n8r n GLY 273 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n8r s GLU 274 N 1.06 0.77 0.00 1.61 2.12 -1.26 -0.31 118.70 122.69 1n8r s GLU 274 Ca 0.00 0.88 0.00 0.00 0.36 0.00 0.00 54.97 56.21 1n8r s GLU 274 Cb 0.00 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.76 1n8r s GLU 274 CO 0.00 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 1n8r n GLY 275 N 2.66 0.54 0.28 -1.50 0.00 0.58 -4.81 105.19 102.94 1n8r n GLY 275 Ca -0.14 -1.92 0.04 0.00 0.00 0.00 0.00 46.02 44.00 1n8r n GLY 275 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n8r n ASP 276 N 0.00 2.52 0.14 1.61 5.75 -1.26 -0.49 116.55 124.83 1n8r n ASP 276 Ca 0.00 -2.32 0.18 0.00 -0.01 0.00 0.00 54.79 52.64 1n8r n ASP 276 Cb 0.00 -0.20 0.77 0.00 -1.03 0.00 0.00 41.12 40.66 1n8r n ASP 276 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1n8r h GLU 277 N 0.73 0.00 0.00 0.11 5.08 -1.87 -1.64 114.58 116.99 1n8r h GLU 277 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n8r h GLU 277 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1n8r h GLU 277 CO 0.03 0.00 -0.92 -0.35 -1.00 0.00 0.00 179.01 176.77 1n8r n PRO 278 N -3.91 0.12 -1.76 2.33 -0.04 -1.26 -4.93 135.00 125.56 1n8r n PRO 278 Ca 0.05 -0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.10 1n8r n PRO 278 Cb 0.46 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1n8r n PRO 278 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1n8r n THR 279 N -1.69 2.72 -3.18 0.52 -1.04 -0.62 -4.85 114.28 106.15 1n8r n THR 279 Ca 0.03 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.28 1n8r n THR 279 Cb 0.38 -1.85 -0.02 0.00 -1.82 0.00 0.00 70.33 67.02 1n8r n THR 279 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1n8r s VAL 280 N -1.18 5.02 0.01 12.58 1.01 -1.26 -4.60 120.40 131.97 1n8r s VAL 280 Ca 0.60 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1n8r s VAL 280 Cb -0.45 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1n8r s VAL 280 CO 0.58 -0.53 1.30 -1.81 0.00 0.00 0.00 175.10 174.64 1n8r s ASP 281 N -3.69 6.96 0.00 3.32 1.01 0.37 -2.33 116.67 122.31 1n8r s ASP 281 Ca 0.43 2.02 0.00 0.00 0.71 0.00 0.00 52.55 55.72 1n8r s ASP 281 Cb -0.10 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1n8r s ASP 281 CO 0.35 -0.62 0.00 0.61 0.21 0.00 0.00 175.17 175.73 1n8r n GLY 282 N 3.45 3.22 0.00 0.21 0.00 -1.26 -3.98 105.19 106.84 1n8r n GLY 282 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1n8r n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 283 N -1.12 2.34 3.66 -0.02 0.00 -0.98 -4.93 105.19 104.13 1n8r n GLY 283 Ca 0.00 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1n8r n GLY 283 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n8r s PHE 284 N -1.82 1.55 -0.12 1.61 0.40 0.11 -4.76 117.98 114.95 1n8r s PHE 284 Ca 0.00 -0.23 -0.38 0.00 -0.60 0.00 0.00 56.93 55.71 1n8r s PHE 284 Cb 0.00 -4.14 -0.16 0.00 0.51 0.00 0.00 43.02 39.23 1n8r s PHE 284 CO 0.00 -5.00 1.60 0.28 0.70 0.00 0.00 175.22 172.80 1n8r n VAL 285 N 5.47 0.21 -1.43 -0.44 0.31 -1.26 -0.54 118.33 120.65 1n8r n VAL 285 Ca 0.19 -0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.34 1n8r n VAL 285 Cb 0.41 -1.14 -0.06 0.00 -0.91 0.00 0.00 33.84 32.14 1n8r n VAL 285 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1n8r n ASN 286 N 4.38 -4.88 0.00 4.52 3.02 -1.26 -4.79 115.26 116.25 1n8r n ASN 286 Ca 0.23 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 55.14 1n8r n ASN 286 Cb 0.17 -3.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 1n8r n ASN 286 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n8r n TYR 287 N -2.54 0.00 -0.75 3.10 9.36 0.30 -4.92 117.16 121.71 1n8r n TYR 287 Ca -0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.07 1n8r n TYR 287 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 1n8r n TYR 287 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1n8r n GLY 288 N 2.02 0.03 3.54 2.98 0.00 -0.46 -4.73 105.19 108.56 1n8r n GLY 288 Ca 0.00 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 1n8r n GLY 288 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8r s GLU 289 N -2.00 3.77 -0.11 1.61 2.02 -1.26 0.05 118.70 122.78 1n8r s GLU 289 Ca 0.00 -0.45 -0.18 0.00 0.02 0.00 0.00 54.97 54.36 1n8r s GLU 289 Cb 0.00 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1n8r s GLU 289 CO 0.00 0.19 0.47 0.08 0.02 0.00 0.00 175.26 176.03 1n8r s VAL 290 N 0.54 5.17 -0.47 2.63 1.01 -1.26 -4.79 120.40 123.24 1n8r s VAL 290 Ca -0.00 0.95 0.04 0.00 0.00 0.00 0.00 61.98 62.97 1n8r s VAL 290 Cb -0.14 -3.81 0.23 0.00 0.00 0.00 0.00 36.38 32.66 1n8r s VAL 290 CO 0.02 0.34 0.90 -0.67 0.00 0.00 0.00 175.10 175.69 1n8r n ASP 291 N 3.56 -2.77 0.00 3.32 2.03 -1.17 -4.03 116.55 117.50 1n8r n ASP 291 Ca -0.07 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.45 1n8r n ASP 291 Cb 0.52 1.58 0.00 0.00 -0.72 0.00 0.00 41.12 42.49 1n8r n ASP 291 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n8r n GLY 292 N 2.13 -0.57 3.67 0.27 0.00 0.36 -4.66 105.19 106.39 1n8r n GLY 292 Ca 0.11 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1n8r n GLY 292 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1n8r s PRO 293 N -0.07 4.16 0.18 1.61 0.02 -1.26 -0.31 135.00 139.33 1n8r s PRO 293 Ca 0.00 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1n8r s PRO 293 Cb 0.00 -3.98 -0.04 0.00 0.02 0.00 0.00 34.50 30.49 1n8r s PRO 293 CO 0.00 -0.88 0.07 1.52 -0.33 0.00 0.00 177.00 177.37 1n8r s TYR 294 N 3.94 1.14 -0.00 6.54 -0.85 0.57 -0.53 117.35 128.16 1n8r s TYR 294 Ca 0.81 -1.21 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 1n8r s TYR 294 Cb -0.40 -0.62 -0.01 0.00 0.38 0.00 0.00 41.96 41.31 1n8r s TYR 294 CO 0.36 -0.45 -0.06 0.99 -1.52 0.00 0.00 175.55 174.88 1n8r s THR 295 N -3.93 0.43 -0.33 -3.49 2.01 0.21 -1.55 115.64 108.99 1n8r s THR 295 Ca 0.30 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1n8r s THR 295 Cb 0.07 -0.37 0.04 0.00 0.01 0.00 0.00 72.50 72.25 1n8r s THR 295 CO 0.07 0.09 0.08 -0.76 -0.69 0.00 0.00 174.62 173.41 1n8r s LEU 296 N -0.20 4.18 -0.19 4.42 1.43 0.12 -1.46 118.68 126.98 1n8r s LEU 296 Ca 0.01 -1.13 -0.13 0.00 -1.03 0.00 0.00 54.13 51.85 1n8r s LEU 296 Cb -0.03 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 1n8r s LEU 296 CO -0.00 -0.30 0.27 -0.69 0.23 0.00 0.00 176.35 175.86 1n8r s VAL 297 N 1.38 5.31 0.17 -1.59 1.01 -0.75 -0.82 120.40 125.11 1n8r s VAL 297 Ca -0.02 0.48 -0.32 0.00 0.00 0.00 0.00 61.98 62.12 1n8r s VAL 297 Cb -0.19 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 1n8r s VAL 297 CO 0.02 0.36 1.64 -0.75 0.00 0.00 0.00 175.10 176.37 1n8r s LYS 298 N 0.71 4.18 2.89 2.72 2.20 -0.39 -0.24 119.74 131.80 1n8r s LYS 298 Ca 0.14 2.46 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 1n8r s LYS 298 Cb -0.13 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1n8r s LYS 298 CO 0.04 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 1n8r n GLY 299 N 3.86 -0.46 3.96 5.54 0.00 -0.95 -4.64 105.19 112.51 1n8r n GLY 299 Ca 0.15 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 1n8r n GLY 299 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n8r s SER 300 N -4.00 6.22 -0.06 1.61 1.04 -1.26 -2.89 113.70 114.36 1n8r s SER 300 Ca 0.00 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.63 1n8r s SER 300 Cb 0.00 -1.80 0.02 0.00 0.10 0.00 0.00 66.02 64.34 1n8r s SER 300 CO 0.00 -0.26 -0.07 -0.69 0.98 0.00 0.00 173.24 173.20 1n8r s VAL 301 N -2.18 0.81 1.08 5.02 1.01 -1.26 -5.02 120.40 119.86 1n8r s VAL 301 Ca 0.39 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1n8r s VAL 301 Cb -0.09 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.49 1n8r s VAL 301 CO 0.33 0.30 -0.44 -0.81 0.00 0.00 0.00 175.10 174.47 1n8r n PRO 302 N 4.17 -1.05 0.00 2.72 -0.04 -1.26 -4.83 135.00 134.71 1n8r n PRO 302 Ca -0.21 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 1n8r n PRO 302 Cb 0.51 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1n8r n PRO 302 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n8r n GLY 303 N 2.46 -2.29 3.96 0.55 0.00 -1.25 -4.88 105.19 103.74 1n8r n GLY 303 Ca 0.00 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.32 1n8r n GLY 303 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n8r s PRO 304 N -2.91 2.73 0.38 1.61 0.04 -1.26 -4.67 135.00 130.91 1n8r s PRO 304 Ca 0.00 -0.67 -0.27 0.00 0.04 0.00 0.00 61.00 60.10 1n8r s PRO 304 Cb 0.00 -2.51 -0.11 0.00 0.04 0.00 0.00 34.50 31.92 1n8r s PRO 304 CO 0.00 -0.56 1.39 -0.25 0.04 0.00 0.00 177.00 177.62 1n8r n ASP 305 N -2.26 3.27 0.00 6.66 8.00 -1.26 -1.97 116.55 128.99 1n8r n ASP 305 Ca 0.06 1.20 0.00 0.00 0.71 0.00 0.00 54.79 56.75 1n8r n ASP 305 Cb 0.59 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 1n8r n ASP 305 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1n8r n LYS 306 N 0.37 0.00 -2.31 -1.24 5.02 0.14 -4.97 118.16 115.17 1n8r n LYS 306 Ca 0.03 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.97 1n8r n LYS 306 Cb 0.38 -0.54 -0.01 0.00 -0.02 0.00 0.00 35.03 34.84 1n8r n LYS 306 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1n8r s ARG 307 N -0.51 3.62 -0.02 1.97 3.52 -0.83 -4.60 118.95 122.09 1n8r s ARG 307 Ca 0.00 1.64 -0.30 0.00 -0.13 0.00 0.00 55.73 56.94 1n8r s ARG 307 Cb 0.00 -2.21 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 1n8r s ARG 307 CO 0.00 -0.63 1.18 -1.17 -0.81 0.00 0.00 175.30 173.87 1n8r s LEU 308 N -3.38 4.31 0.08 -0.88 2.96 -1.26 -2.22 118.68 118.28 1n8r s LEU 308 Ca 0.67 1.84 0.09 0.00 -0.22 0.00 0.00 54.13 56.52 1n8r s LEU 308 Cb -0.25 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 1n8r s LEU 308 CO 0.29 -0.53 -0.24 0.68 -1.32 0.00 0.00 176.35 175.23 1n8r s VAL 309 N 1.85 2.34 0.05 1.68 -7.23 -0.46 -4.65 120.40 113.98 1n8r s VAL 309 Ca 0.56 -1.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.32 1n8r s VAL 309 Cb -0.25 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 1n8r s VAL 309 CO 0.24 0.26 -0.14 -0.13 -0.31 0.00 0.00 175.10 175.02 1n8r s ARG 310 N -1.59 2.18 0.12 4.82 0.52 -0.56 -1.95 118.95 122.48 1n8r s ARG 310 Ca 0.13 -0.94 0.07 0.00 -0.52 0.00 0.00 55.73 54.47 1n8r s ARG 310 Cb -0.10 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 1n8r s ARG 310 CO 0.04 0.55 -0.05 -0.06 0.02 0.00 0.00 175.30 175.80 1n8r s PHE 311 N -1.00 2.83 -0.26 -0.53 0.40 0.18 -1.76 117.98 117.85 1n8r s PHE 311 Ca 0.16 -0.12 -0.18 0.00 -0.60 0.00 0.00 56.93 56.20 1n8r s PHE 311 Cb -0.11 -1.45 0.07 0.00 0.51 0.00 0.00 43.02 42.05 1n8r s PHE 311 CO 0.07 0.47 0.66 0.50 0.70 0.00 0.00 175.22 177.62 1n8r s ARG 312 N -2.42 0.71 0.16 0.44 3.52 -0.98 -1.51 118.95 118.87 1n8r s ARG 312 Ca 0.24 1.10 -0.34 0.00 -0.13 0.00 0.00 55.73 56.60 1n8r s ARG 312 Cb -0.11 0.20 -0.14 0.00 -1.56 0.00 0.00 34.95 33.34 1n8r s ARG 312 CO 0.16 -0.13 1.56 -2.30 -0.81 0.00 0.00 175.30 173.78 1n8r n PRO 313 N 3.81 2.10 -1.51 5.12 -0.02 -1.26 0.11 135.00 143.34 1n8r n PRO 313 Ca -0.18 0.76 -0.55 0.00 -2.02 0.00 0.00 63.50 61.50 1n8r n PRO 313 Cb 0.57 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1n8r n PRO 313 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n8r n ALA 314 N 3.30 -2.70 0.12 3.55 0.00 0.62 -4.61 120.51 120.80 1n8r n ALA 314 Ca 0.17 0.55 0.12 0.00 0.00 0.00 0.00 53.44 54.27 1n8r n ALA 314 Cb 0.28 -1.83 0.01 0.00 0.00 0.00 0.00 19.45 17.92 1n8r n ALA 314 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1n8r h VAL 315 N 2.74 0.00 -1.43 0.00 -1.51 -1.90 -3.40 116.25 110.75 1n8r h VAL 315 Ca -0.46 -1.00 -0.46 0.00 -1.23 0.00 0.00 66.70 63.55 1n8r h VAL 315 Cb 1.40 1.53 -0.32 0.00 -2.13 0.00 0.00 31.29 31.78 1n8r h VAL 315 CO 0.67 0.00 -0.93 -2.11 -1.23 0.00 0.00 177.57 173.96 1n8r n ARG 316 N -2.71 0.74 -1.88 5.19 1.85 -1.26 -4.96 116.66 113.62 1n8r n ARG 316 Ca 0.00 -2.80 -0.32 0.00 -1.00 0.00 0.00 57.85 53.74 1n8r n ARG 316 Cb 0.55 -1.29 0.02 0.00 -1.05 0.00 0.00 32.46 30.69 1n8r n ARG 316 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1n8r s PRO 317 N -0.66 3.22 -0.12 2.89 0.02 -1.26 -4.84 135.00 134.24 1n8r s PRO 317 Ca 0.34 1.08 0.12 0.00 0.02 0.00 0.00 61.00 62.56 1n8r s PRO 317 Cb 0.19 -2.02 -0.16 0.00 0.02 0.00 0.00 34.50 32.52 1n8r s PRO 317 CO -0.15 -0.88 0.06 0.09 -0.33 0.00 0.00 177.00 175.79 1n8r n ASN 318 N -2.45 1.77 -4.66 2.53 3.02 -1.26 -5.01 115.26 109.19 1n8r n ASN 318 Ca 0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.40 1n8r n ASN 318 Cb 0.53 0.86 -0.07 0.00 -0.61 0.00 0.00 39.78 40.50 1n8r n ASN 318 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1n8r s ASP 319 N -4.56 4.64 0.53 6.41 1.01 -1.26 -5.12 116.67 118.32 1n8r s ASP 319 Ca -0.06 -0.61 -0.16 0.00 0.71 0.00 0.00 52.55 52.43 1n8r s ASP 319 Cb 0.04 -0.90 -0.07 0.00 1.01 0.00 0.00 42.92 43.00 1n8r s ASP 319 CO 0.54 -0.01 0.99 -1.58 0.21 0.00 0.00 175.17 175.32 1n8r s GLN 320 N -3.69 3.88 0.30 8.23 2.00 -1.26 -5.01 119.66 124.11 1n8r s GLN 320 Ca 0.32 0.94 -0.29 0.00 -2.00 0.00 0.00 55.36 54.33 1n8r s GLN 320 Cb -0.06 -2.13 -0.10 0.00 0.80 0.00 0.00 33.01 31.52 1n8r s GLN 320 CO 0.20 -0.33 1.23 -2.14 -0.50 0.00 0.00 175.29 173.76 1n8r s PRO 321 N -4.20 4.46 -0.53 1.67 0.02 -1.26 -4.98 135.00 130.17 1n8r s PRO 321 Ca 0.59 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.70 1n8r s PRO 321 Cb -0.10 -3.13 0.15 0.00 0.02 0.00 0.00 34.50 31.44 1n8r s PRO 321 CO 0.34 -0.05 0.34 1.03 -0.33 0.00 0.00 177.00 178.33 1n8r s ARG 322 N -1.50 1.71 0.80 5.54 0.52 -1.25 -5.06 118.95 119.71 1n8r s ARG 322 Ca 0.48 -2.54 -0.14 0.00 -0.52 0.00 0.00 55.73 53.00 1n8r s ARG 322 Cb -0.37 -2.68 0.02 0.00 0.52 0.00 0.00 34.95 32.44 1n8r s ARG 322 CO 0.47 -1.23 0.77 1.28 0.02 0.00 0.00 175.30 176.62 1n8r n LEU 323 N 2.86 2.07 -2.45 2.53 4.77 -1.26 -4.36 117.00 121.16 1n8r n LEU 323 Ca 0.15 0.54 -0.18 0.00 -0.03 0.00 0.00 56.01 56.49 1n8r n LEU 323 Cb 0.36 -1.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.14 1n8r n LEU 323 CO 0.24 -2.65 -0.13 0.47 -1.33 0.00 0.00 177.39 173.99 1n8r n ASP 324 N -1.67 -2.56 -4.76 -1.43 9.92 0.32 -4.88 116.55 111.49 1n8r n ASP 324 Ca 0.11 -0.18 -0.37 0.00 -0.53 0.00 0.00 54.79 53.82 1n8r n ASP 324 Cb 0.51 -0.77 0.02 0.00 -0.64 0.00 0.00 41.12 40.24 1n8r n ASP 324 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1n8r s PRO 325 N -1.76 3.19 -0.20 -0.24 0.02 -1.26 -4.95 135.00 129.80 1n8r s PRO 325 Ca 0.14 1.87 -0.28 0.00 0.02 0.00 0.00 61.00 62.76 1n8r s PRO 325 Cb -0.01 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.42 1n8r s PRO 325 CO 0.43 -1.04 0.98 -2.00 -0.33 0.00 0.00 177.00 175.03 1n8r s GLU 326 N -3.12 4.28 -0.39 5.54 2.12 -1.26 -4.99 118.70 120.88 1n8r s GLU 326 Ca 0.73 1.26 -0.12 0.00 0.36 0.00 0.00 54.97 57.20 1n8r s GLU 326 Cb -0.31 -3.61 0.03 0.00 0.26 0.00 0.00 34.13 30.49 1n8r s GLU 326 CO 0.35 -0.52 0.24 0.08 -0.54 0.00 0.00 175.26 174.88 1n8r s VAL 327 N 2.79 4.77 -0.01 3.70 1.01 -1.26 -2.29 120.40 129.11 1n8r s VAL 327 Ca 0.43 -0.86 0.12 0.00 0.00 0.00 0.00 61.98 61.67 1n8r s VAL 327 Cb -0.16 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.32 1n8r s VAL 327 CO 0.09 -0.29 0.83 0.03 0.00 0.00 0.00 175.10 175.76 1n8r h ARG 328 N 8.50 0.00 -2.83 2.72 3.08 -1.68 -3.48 114.38 120.69 1n8r h ARG 328 Ca -0.26 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 1n8r h ARG 328 Cb 1.11 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.92 1n8r h ARG 328 CO 0.70 0.60 -0.27 -0.47 -1.07 0.00 0.00 179.97 179.46 1n8r s TYR 329 N -2.65 -0.40 -0.19 3.04 5.04 -1.16 -4.96 117.35 116.07 1n8r s TYR 329 Ca -0.03 0.96 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 1n8r s TYR 329 Cb 0.08 0.14 0.05 0.00 0.35 0.00 0.00 41.96 42.58 1n8r s TYR 329 CO 0.82 -0.22 -0.07 0.08 -1.34 0.00 0.00 175.55 174.83 1n8r s VAL 330 N 0.08 1.39 0.25 3.14 1.01 -1.26 0.06 120.40 125.07 1n8r s VAL 330 Ca -0.01 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1n8r s VAL 330 Cb -0.03 -1.56 -0.10 0.00 0.00 0.00 0.00 36.38 34.70 1n8r s VAL 330 CO 0.01 0.09 1.42 -0.55 0.00 0.00 0.00 175.10 176.07 1n8r s SER 331 N 1.49 6.68 0.00 3.32 0.15 -0.62 -4.89 113.70 119.84 1n8r s SER 331 Ca -0.01 2.65 0.00 0.00 0.70 0.00 0.00 55.95 59.28 1n8r s SER 331 Cb -0.16 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1n8r s SER 331 CO -0.08 -0.68 0.77 0.59 1.20 0.00 0.00 173.24 175.05 1n8r n ASN 332 N 2.23 1.46 -4.75 5.45 3.02 -1.26 -4.70 115.26 116.71 1n8r n ASN 332 Ca 0.06 -1.59 -0.42 0.00 -0.03 0.00 0.00 54.58 52.61 1n8r n ASN 332 Cb 0.41 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.56 1n8r n ASN 332 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1n8r n GLU 333 N -0.29 2.70 -1.58 3.52 2.13 -1.26 -0.48 120.64 125.38 1n8r n GLU 333 Ca 0.00 0.96 -0.45 0.00 0.66 0.00 0.00 57.16 58.33 1n8r n GLU 333 Cb 0.20 -2.74 -0.02 0.00 0.27 0.00 0.00 31.44 29.16 1n8r n GLU 333 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1n8r n SER 334 N 1.96 1.14 -0.69 4.31 2.88 -1.26 -4.34 113.62 117.63 1n8r n SER 334 Ca 0.08 1.17 0.04 0.00 -1.33 0.00 0.00 58.87 58.83 1n8r n SER 334 Cb 0.37 -1.26 0.14 0.00 -0.75 0.00 0.00 64.21 62.70 1n8r n SER 334 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1n8r n ASN 335 N 1.31 1.94 -4.22 -3.46 3.02 -1.26 -4.64 115.26 107.96 1n8r n ASN 335 Ca 0.10 -2.10 -0.34 0.00 -0.03 0.00 0.00 54.58 52.21 1n8r n ASN 335 Cb 0.31 -0.30 -0.15 0.00 -0.61 0.00 0.00 39.78 39.03 1n8r n ASN 335 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1n8r s GLN 336 N -1.63 3.04 0.00 3.52 -0.21 -1.26 -4.95 119.66 118.17 1n8r s GLN 336 Ca 0.20 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1n8r s GLN 336 Cb 0.12 -2.91 0.00 0.00 1.00 0.00 0.00 33.01 31.22 1n8r s GLN 336 CO 0.11 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.40