#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tcr s SER 2 N 0.00 -0.48 0.00 1.69 0.15 -1.20 -4.97 113.70 108.90 1tcr s SER 2 Ca 0.00 0.82 0.02 0.00 0.70 0.00 0.00 55.95 57.48 1tcr s SER 2 Cb 0.00 1.07 -0.01 0.00 -1.71 0.00 0.00 66.02 65.37 1tcr s SER 2 CO 0.00 -0.13 -0.05 -0.69 1.20 0.00 0.00 173.24 173.56 1tcr s VAL 3 N 0.95 0.40 -0.11 4.45 1.01 -1.26 -0.23 120.40 125.60 1tcr s VAL 3 Ca -0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1tcr s VAL 3 Cb -0.04 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 36.01 1tcr s VAL 3 CO -0.12 0.01 -0.00 -0.89 0.00 0.00 0.00 175.10 174.10 1tcr s THR 4 N -0.35 0.52 -0.39 3.92 2.01 0.31 -4.61 115.64 117.05 1tcr s THR 4 Ca -0.01 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 1tcr s THR 4 Cb -0.03 -0.75 0.08 0.00 0.01 0.00 0.00 72.50 71.81 1tcr s THR 4 CO -0.00 0.15 0.19 -1.10 -0.69 0.00 0.00 174.62 173.17 1tcr s GLN 5 N 1.90 2.34 0.52 4.92 -0.21 -1.26 -1.32 119.66 126.55 1tcr s GLN 5 Ca 0.03 -1.55 0.16 0.00 0.02 0.00 0.00 55.36 54.02 1tcr s GLN 5 Cb -0.14 -3.59 1.26 0.00 1.00 0.00 0.00 33.01 31.55 1tcr s GLN 5 CO -0.06 -0.93 2.14 -1.00 -2.12 0.00 0.00 175.29 173.32 1tcr h PRO 6 N 8.19 0.00 -5.06 2.91 0.13 -1.96 -3.42 132.00 132.79 1tcr h PRO 6 Ca -0.19 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.29 1tcr h PRO 6 Cb 1.07 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.92 1tcr h PRO 6 CO 0.69 0.01 -0.72 -0.51 -0.23 0.00 0.00 178.00 177.23 1tcr s ASP 7 N -7.07 4.31 0.22 1.44 1.01 -1.26 -4.98 116.67 110.34 1tcr s ASP 7 Ca -0.05 -0.36 0.17 0.00 0.71 0.00 0.00 52.55 53.02 1tcr s ASP 7 Cb 0.17 -1.73 0.02 0.00 1.01 0.00 0.00 42.92 42.39 1tcr s ASP 7 CO 0.67 0.02 1.22 0.00 0.21 0.00 0.00 175.17 177.29 1tcr h ALA 8 N 7.82 0.68 -3.60 5.23 0.00 -1.81 -3.41 119.26 124.17 1tcr h ALA 8 Ca -0.39 -0.48 -0.22 0.00 0.00 0.00 0.00 54.91 53.83 1tcr h ALA 8 Cb 1.17 0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.73 1tcr h ALA 8 CO 0.60 0.58 -0.67 0.50 0.00 0.00 0.00 179.25 180.26 1tcr s ARG 9 N -3.02 0.06 -0.16 0.00 3.52 -1.26 -1.31 118.95 116.78 1tcr s ARG 9 Ca 0.02 0.04 -0.04 0.00 -0.13 0.00 0.00 55.73 55.62 1tcr s ARG 9 Cb 0.08 0.03 0.06 0.00 -1.56 0.00 0.00 34.95 33.55 1tcr s ARG 9 CO 0.76 -0.01 0.07 0.08 -0.81 0.00 0.00 175.30 175.40 1tcr s VAL 10 N -0.02 0.04 -0.29 7.11 1.01 -0.69 -4.95 120.40 122.60 1tcr s VAL 10 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 1tcr s VAL 10 Cb -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1tcr s VAL 10 CO 0.00 -0.20 0.19 -0.89 0.00 0.00 0.00 175.10 174.21 1tcr s THR 11 N 2.09 5.21 0.09 3.92 2.01 -1.26 -1.17 115.64 126.53 1tcr s THR 11 Ca 0.02 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.10 1tcr s THR 11 Cb -0.16 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1tcr s THR 11 CO -0.08 0.18 -0.14 0.54 -0.69 0.00 0.00 174.62 174.44 1tcr s VAL 12 N 1.73 1.18 0.28 3.82 0.11 -0.53 -4.99 120.40 122.00 1tcr s VAL 12 Ca 0.07 -1.51 -0.14 0.00 -2.93 0.00 0.00 61.98 57.46 1tcr s VAL 12 Cb -0.16 -1.29 -0.08 0.00 -1.53 0.00 0.00 36.38 33.31 1tcr s VAL 12 CO 0.10 -0.34 0.69 -0.44 -3.33 0.00 0.00 175.10 171.78 1tcr s SER 13 N -2.10 6.78 0.16 3.54 0.01 -1.26 -0.53 113.70 120.30 1tcr s SER 13 Ca 0.03 1.21 -0.33 0.00 1.31 0.00 0.00 55.95 58.17 1tcr s SER 13 Cb -0.07 -2.34 -0.13 0.00 0.21 0.00 0.00 66.02 63.69 1tcr s SER 13 CO 0.02 -0.13 1.67 1.21 0.41 0.00 0.00 173.24 176.42 1tcr n GLU 14 N -0.11 2.41 0.00 12.44 2.13 -0.43 -1.69 120.64 135.39 1tcr n GLU 14 Ca 0.02 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.71 1tcr n GLU 14 Cb 0.53 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.55 1tcr n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tcr n GLY 15 N 3.72 2.94 3.77 8.31 0.00 -0.11 -4.91 105.19 118.91 1tcr n GLY 15 Ca 0.17 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1tcr n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tcr s ALA 16 N -1.07 2.10 0.53 4.61 0.00 -0.68 -4.36 121.76 122.88 1tcr s ALA 16 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 1tcr s ALA 16 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1tcr s ALA 16 CO 0.00 -1.86 0.85 -1.54 0.00 0.00 0.00 175.76 173.20 1tcr s SER 17 N -3.54 6.09 -0.01 0.00 1.04 -1.24 -1.18 113.70 114.85 1tcr s SER 17 Ca 0.61 0.93 0.02 0.00 0.48 0.00 0.00 55.95 58.00 1tcr s SER 17 Cb -0.16 -2.14 -0.00 0.00 0.10 0.00 0.00 66.02 63.81 1tcr s SER 17 CO 0.56 -0.74 -0.08 -0.22 0.98 0.00 0.00 173.24 173.74 1tcr s LEU 18 N -4.86 1.96 -0.03 2.42 2.96 -0.63 -4.89 118.68 115.61 1tcr s LEU 18 Ca 0.50 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 1tcr s LEU 18 Cb -0.10 -0.42 0.03 0.00 0.50 0.00 0.00 46.19 46.19 1tcr s LEU 18 CO 0.46 0.09 0.01 -1.58 -1.32 0.00 0.00 176.35 174.00 1tcr s GLN 19 N -0.09 0.27 -0.14 1.98 0.74 -1.26 -0.92 119.66 120.24 1tcr s GLN 19 Ca 0.02 0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.53 1tcr s GLN 19 Cb -0.04 -0.49 -0.01 0.00 1.10 0.00 0.00 33.01 33.58 1tcr s GLN 19 CO -0.00 -0.15 -0.16 -0.51 -0.55 0.00 0.00 175.29 173.92 1tcr s LEU 20 N 1.12 2.51 -0.02 3.68 1.43 0.31 -4.97 118.68 122.74 1tcr s LEU 20 Ca -0.08 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 1tcr s LEU 20 Cb -0.13 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 1tcr s LEU 20 CO -0.02 0.12 0.42 -0.13 0.23 0.00 0.00 176.35 176.97 1tcr s ARG 21 N 0.61 3.99 -0.04 1.70 0.52 -1.26 -0.92 118.95 123.56 1tcr s ARG 21 Ca -0.09 0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 55.54 1tcr s ARG 21 Cb -0.16 -3.25 0.03 0.00 0.52 0.00 0.00 34.95 32.09 1tcr s ARG 21 CO 0.03 0.61 0.02 0.00 0.02 0.00 0.00 175.30 175.98 1tcr s LYS 23 N 1.47 2.04 0.05 0.00 3.01 -0.43 -1.52 119.74 124.37 1tcr s LYS 23 Ca -0.04 -0.99 0.01 0.00 -1.01 0.00 0.00 55.97 53.95 1tcr s LYS 23 Cb -0.13 -2.14 -0.03 0.00 -1.01 0.00 0.00 37.83 34.52 1tcr s LYS 23 CO -0.03 0.54 -0.06 1.52 0.51 0.00 0.00 175.35 177.83 1tcr s TYR 24 N -0.85 0.61 -0.49 3.18 -0.85 -1.20 0.12 117.35 117.87 1tcr s TYR 24 Ca 0.13 -0.66 0.03 0.00 -0.52 0.00 0.00 57.07 56.06 1tcr s TYR 24 Cb -0.10 -0.38 0.15 0.00 0.38 0.00 0.00 41.96 42.01 1tcr s TYR 24 CO 0.03 -0.15 0.30 0.45 -1.52 0.00 0.00 175.55 174.66 1tcr s SER 25 N -2.01 3.59 -0.05 -0.18 0.15 0.68 -4.88 113.70 111.01 1tcr s SER 25 Ca -0.05 -2.94 0.01 0.00 0.70 0.00 0.00 55.95 53.66 1tcr s SER 25 Cb -0.05 -1.10 0.02 0.00 -1.71 0.00 0.00 66.02 63.19 1tcr s SER 25 CO -0.02 -0.22 -0.03 -0.47 1.20 0.00 0.00 173.24 173.70 1tcr s TYR 26 N -0.07 0.70 -0.57 3.44 5.04 -1.26 -3.20 117.35 121.43 1tcr s TYR 26 Ca 0.21 -0.19 -0.28 0.00 -2.44 0.00 0.00 57.07 54.37 1tcr s TYR 26 Cb -0.17 -0.66 0.03 0.00 0.35 0.00 0.00 41.96 41.51 1tcr s TYR 26 CO -0.06 -0.21 1.16 -1.12 -1.34 0.00 0.00 175.55 173.99 1tcr s SER 27 N 1.07 6.45 0.00 4.32 0.01 -1.26 -4.73 113.70 119.56 1tcr s SER 27 Ca -0.09 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1tcr s SER 27 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1tcr s SER 27 CO -0.01 -1.44 0.00 0.00 0.41 0.00 0.00 173.24 172.20 1tcr n ALA 28 N 8.31 0.00 -3.67 1.44 0.00 -1.26 -4.88 120.51 120.45 1tcr n ALA 28 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 1tcr n ALA 28 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 1tcr n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1tcr s THR 29 N -2.14 3.63 0.67 0.00 2.01 -1.26 -4.99 115.64 113.55 1tcr s THR 29 Ca 0.00 -1.91 -0.15 0.00 0.31 0.00 0.00 61.69 59.94 1tcr s THR 29 Cb 0.00 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1tcr s THR 29 CO 0.00 -0.69 1.12 -2.16 -0.69 0.00 0.00 174.62 172.20 1tcr s PRO 30 N 1.23 2.74 0.05 4.92 0.04 -1.26 -4.67 135.00 138.05 1tcr s PRO 30 Ca 0.07 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1tcr s PRO 30 Cb -0.24 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1tcr s PRO 30 CO -0.03 -1.30 0.18 0.71 0.04 0.00 0.00 177.00 176.60 1tcr s TYR 31 N -2.31 3.47 -0.01 0.56 1.51 -0.98 -4.90 117.35 114.68 1tcr s TYR 31 Ca 0.68 0.24 0.02 0.00 -1.01 0.00 0.00 57.07 56.99 1tcr s TYR 31 Cb -0.21 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 1tcr s TYR 31 CO 0.42 0.59 -0.06 -0.51 -1.11 0.00 0.00 175.55 174.87 1tcr s LEU 32 N -2.38 1.85 0.23 -1.29 1.43 -0.10 -2.56 118.68 115.87 1tcr s LEU 32 Ca 0.33 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1tcr s LEU 32 Cb -0.13 -0.38 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 1tcr s LEU 32 CO 0.25 0.05 0.10 -0.36 0.23 0.00 0.00 176.35 176.63 1tcr s PHE 33 N 0.09 1.40 -0.05 0.29 0.40 -0.49 -0.57 117.98 119.05 1tcr s PHE 33 Ca -0.01 -1.23 -0.02 0.00 -0.60 0.00 0.00 56.93 55.07 1tcr s PHE 33 Cb -0.06 -0.78 0.03 0.00 0.51 0.00 0.00 43.02 42.73 1tcr s PHE 33 CO -0.00 -0.42 0.08 -1.58 0.70 0.00 0.00 175.22 174.00 1tcr s TRP 34 N -3.87 0.01 0.16 0.36 0.52 -0.73 -1.86 118.94 113.52 1tcr s TRP 34 Ca 0.37 0.33 0.08 0.00 0.02 0.00 0.00 56.10 56.90 1tcr s TRP 34 Cb 0.07 -0.42 -0.04 0.00 -1.15 0.00 0.00 33.47 31.94 1tcr s TRP 34 CO 0.12 -0.20 -0.07 0.71 0.02 0.00 0.00 176.95 177.54 1tcr s TYR 35 N 2.13 2.72 0.05 -1.98 1.51 0.39 -0.44 117.35 121.74 1tcr s TYR 35 Ca 0.04 -0.18 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 1tcr s TYR 35 Cb -0.12 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 1tcr s TYR 35 CO -0.04 0.50 -0.15 0.54 -1.11 0.00 0.00 175.55 175.29 1tcr s VAL 36 N -1.62 1.19 -0.18 0.71 0.11 -0.10 -0.06 120.40 120.45 1tcr s VAL 36 Ca 0.25 -1.15 -0.01 0.00 -2.93 0.00 0.00 61.98 58.13 1tcr s VAL 36 Cb -0.09 -1.09 0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1tcr s VAL 36 CO 0.16 -0.07 -0.02 -1.58 -3.33 0.00 0.00 175.10 170.26 1tcr s GLN 37 N -1.40 1.18 0.58 1.54 0.74 0.50 -1.24 119.66 121.56 1tcr s GLN 37 Ca 0.01 -0.52 -0.12 0.00 0.05 0.00 0.00 55.36 54.78 1tcr s GLN 37 Cb -0.09 -2.06 -0.05 0.00 1.10 0.00 0.00 33.01 31.91 1tcr s GLN 37 CO 0.02 -0.51 1.00 0.71 -0.55 0.00 0.00 175.29 175.96 1tcr s TYR 38 N 1.68 3.58 0.04 1.67 2.02 -1.26 -1.93 117.35 123.14 1tcr s TYR 38 Ca -0.01 1.30 -0.30 0.00 -0.37 0.00 0.00 57.07 57.69 1tcr s TYR 38 Cb -0.16 -2.71 -0.09 0.00 -0.40 0.00 0.00 41.96 38.60 1tcr s TYR 38 CO -0.07 -0.57 1.96 -2.30 -1.57 0.00 0.00 175.55 173.00 1tcr n PRO 39 N -2.39 2.82 -1.77 -1.71 -0.02 -1.26 -1.90 135.00 128.77 1tcr n PRO 39 Ca 0.06 1.03 -0.17 0.00 -2.02 0.00 0.00 63.50 62.40 1tcr n PRO 39 Cb 0.54 -2.98 -0.05 0.00 -0.02 0.00 0.00 33.50 30.99 1tcr n PRO 39 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1tcr n ARG 40 N 7.30 -1.23 -4.39 -0.52 0.00 -1.26 -5.03 116.66 111.53 1tcr n ARG 40 Ca 0.20 1.00 -0.29 0.00 -0.00 0.00 0.00 57.85 58.76 1tcr n ARG 40 Cb 0.40 -5.29 -0.06 0.00 0.00 0.00 0.00 32.46 27.50 1tcr n ARG 40 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1tcr s GLN 41 N -3.90 2.19 1.19 -0.14 -2.07 -0.80 -5.14 119.66 111.00 1tcr s GLN 41 Ca 0.00 -2.17 -0.20 0.00 -1.82 0.00 0.00 55.36 51.17 1tcr s GLN 41 Cb 0.00 -1.78 0.30 0.00 -1.09 0.00 0.00 33.01 30.44 1tcr s GLN 41 CO 0.00 -0.36 1.03 0.41 -1.32 0.00 0.00 175.29 175.06 1tcr n GLY 42 N -1.37 -2.84 3.80 2.60 0.00 -1.26 -4.66 105.19 101.46 1tcr n GLY 42 Ca -0.10 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 1tcr n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tcr s LEU 43 N 0.00 4.53 -0.09 0.99 1.43 -1.26 -4.48 118.68 119.80 1tcr s LEU 43 Ca 0.68 1.42 0.02 0.00 -1.03 0.00 0.00 54.13 55.21 1tcr s LEU 43 Cb -0.07 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 1tcr s LEU 43 CO 0.52 0.23 -0.15 -1.10 0.23 0.00 0.00 176.35 176.08 1tcr s GLN 44 N -1.22 2.96 0.41 1.70 -0.21 -0.38 -4.94 119.66 117.98 1tcr s GLN 44 Ca 0.33 -0.71 -0.26 0.00 0.02 0.00 0.00 55.36 54.74 1tcr s GLN 44 Cb -0.21 -2.49 -0.09 0.00 1.00 0.00 0.00 33.01 31.23 1tcr s GLN 44 CO 0.22 0.39 1.32 -1.17 -2.12 0.00 0.00 175.29 173.93 1tcr s LEU 45 N -0.12 4.21 -0.17 2.90 2.96 -1.26 -0.93 118.68 126.27 1tcr s LEU 45 Ca -0.02 2.69 -0.05 0.00 -0.22 0.00 0.00 54.13 56.53 1tcr s LEU 45 Cb -0.14 -3.89 -0.09 0.00 0.50 0.00 0.00 46.19 42.57 1tcr s LEU 45 CO 0.04 -0.87 -0.20 -0.11 -1.32 0.00 0.00 176.35 173.89 1tcr n LEU 46 N 0.12 1.81 -3.51 -0.68 7.94 0.42 -4.83 117.00 118.28 1tcr n LEU 46 Ca 0.04 0.11 -0.12 0.00 -1.11 0.00 0.00 56.01 54.93 1tcr n LEU 46 Cb 0.43 -0.53 -0.04 0.00 0.53 0.00 0.00 43.42 43.82 1tcr n LEU 46 CO 0.56 0.50 0.60 -1.48 -1.11 0.00 0.00 177.39 176.46 1tcr s LEU 47 N -6.60 -0.48 0.05 -1.96 0.05 -1.04 -4.00 118.68 104.70 1tcr s LEU 47 Ca -0.23 0.27 -0.04 0.00 0.05 0.00 0.00 54.13 54.18 1tcr s LEU 47 Cb 0.08 2.21 -0.02 0.00 -2.05 0.00 0.00 46.19 46.41 1tcr s LEU 47 CO 0.33 -0.61 0.05 -1.59 -0.55 0.00 0.00 176.35 173.97 1tcr s LYS 48 N -2.27 0.61 -0.05 1.48 -2.85 -1.26 -1.78 119.74 113.62 1tcr s LYS 48 Ca -0.01 -0.95 -0.02 0.00 -1.00 0.00 0.00 55.97 53.99 1tcr s LYS 48 Cb -0.01 0.23 0.04 0.00 -2.06 0.00 0.00 37.83 36.03 1tcr s LYS 48 CO -0.03 -0.14 0.10 -0.47 0.10 0.00 0.00 175.35 174.91 1tcr s TYR 49 N -3.18 -0.07 0.01 1.78 5.04 0.27 -4.85 117.35 116.33 1tcr s TYR 49 Ca -0.00 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 1tcr s TYR 49 Cb 0.02 -0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.14 1tcr s TYR 49 CO -0.07 -0.15 0.00 0.66 -1.34 0.00 0.00 175.55 174.64 1tcr n TYR 50 N 4.43 -0.00 -3.47 4.97 4.01 -1.26 -0.92 117.16 124.91 1tcr n TYR 50 Ca -0.22 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.38 1tcr n TYR 50 Cb 0.51 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.50 1tcr n TYR 50 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1tcr s SER 51 N -5.05 -0.58 0.58 7.72 1.04 -1.26 -4.88 113.70 111.27 1tcr s SER 51 Ca 0.00 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1tcr s SER 51 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1tcr s SER 51 CO 0.00 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1tcr n GLY 52 N 0.13 1.41 3.61 7.32 0.00 -1.26 -4.89 105.19 111.51 1tcr n GLY 52 Ca -0.18 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1tcr n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tcr s ASP 53 N -4.00 5.75 0.62 1.61 2.15 -1.26 -4.86 116.67 116.68 1tcr s ASP 53 Ca 0.00 1.69 0.39 0.00 0.43 0.00 0.00 52.55 55.06 1tcr s ASP 53 Cb 0.00 -2.52 2.07 0.00 -0.30 0.00 0.00 42.92 42.17 1tcr s ASP 53 CO 0.00 -1.76 2.26 1.55 -0.17 0.00 0.00 175.17 177.05 1tcr h PRO 54 N 13.64 0.00 -4.64 4.34 0.13 -1.91 -3.39 132.00 140.18 1tcr h PRO 54 Ca -0.38 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.05 1tcr h PRO 54 Cb 1.20 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 1tcr h PRO 54 CO 0.99 0.01 -0.55 0.08 -0.23 0.00 0.00 178.00 178.30 1tcr s VAL 55 N -4.14 4.30 0.00 1.56 1.01 -1.26 0.22 120.40 122.08 1tcr s VAL 55 Ca -0.04 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 1tcr s VAL 55 Cb 0.13 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1tcr s VAL 55 CO 0.47 -0.19 0.09 -0.69 0.00 0.00 0.00 175.10 174.78 1tcr s VAL 56 N 1.51 4.77 0.34 2.92 1.01 -0.08 -4.97 120.40 125.90 1tcr s VAL 56 Ca 0.01 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1tcr s VAL 56 Cb -0.19 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1tcr s VAL 56 CO 0.05 0.34 0.18 -1.10 0.00 0.00 0.00 175.10 174.57 1tcr s GLN 57 N -1.79 2.46 0.00 2.72 1.11 -1.26 -1.41 119.66 121.49 1tcr s GLN 57 Ca 0.24 -1.49 0.00 0.00 0.01 0.00 0.00 55.36 54.11 1tcr s GLN 57 Cb -0.12 -2.25 0.00 0.00 -1.01 0.00 0.00 33.01 29.63 1tcr s GLN 57 CO 0.15 0.09 0.00 0.41 0.01 0.00 0.00 175.29 175.95 1tcr n GLY 58 N -1.21 3.79 3.73 3.09 0.00 -0.11 -4.59 105.19 109.88 1tcr n GLY 58 Ca -0.03 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1tcr n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tcr s VAL 59 N -2.09 3.59 -0.28 1.61 1.01 -1.26 -3.66 120.40 119.34 1tcr s VAL 59 Ca 0.00 1.25 -0.00 0.00 0.00 0.00 0.00 61.98 63.23 1tcr s VAL 59 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1tcr s VAL 59 CO 0.00 0.16 0.01 0.59 0.00 0.00 0.00 175.10 175.86 1tcr n ASN 60 N 3.09 -1.81 -1.32 3.32 5.03 -1.26 -3.81 115.26 118.50 1tcr n ASN 60 Ca 0.07 -0.01 -0.12 0.00 0.87 0.00 0.00 54.58 55.39 1tcr n ASN 60 Cb 0.44 -1.19 -0.01 0.00 -1.02 0.00 0.00 39.78 38.00 1tcr n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1tcr n GLY 61 N -0.99 -0.02 3.66 7.41 0.00 -1.24 -4.89 105.19 109.12 1tcr n GLY 61 Ca -0.04 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1tcr n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tcr s PHE 62 N -2.58 3.39 0.12 1.61 0.08 -1.25 -4.33 117.98 115.02 1tcr s PHE 62 Ca 0.00 1.24 0.09 0.00 0.12 0.00 0.00 56.93 58.38 1tcr s PHE 62 Cb 0.00 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.37 1tcr s PHE 62 CO 0.00 -0.29 -0.18 -2.00 -0.10 0.00 0.00 175.22 172.65 1tcr s GLU 63 N 2.36 1.78 -0.09 0.44 2.12 -0.10 -0.93 118.70 124.27 1tcr s GLU 63 Ca 0.38 -1.18 -0.04 0.00 0.36 0.00 0.00 54.97 54.49 1tcr s GLU 63 Cb -0.16 -2.11 0.05 0.00 0.26 0.00 0.00 34.13 32.17 1tcr s GLU 63 CO 0.11 0.48 0.19 0.00 -0.54 0.00 0.00 175.26 175.50 1tcr s ALA 64 N -1.14 -0.31 -0.14 6.30 0.00 -0.50 -0.61 121.76 125.35 1tcr s ALA 64 Ca 0.18 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1tcr s ALA 64 Cb -0.11 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1tcr s ALA 64 CO 0.10 -0.44 -0.06 -2.00 0.00 0.00 0.00 175.76 173.36 1tcr s GLU 65 N 1.92 3.52 0.29 0.00 2.12 -1.13 -0.90 118.70 124.52 1tcr s GLU 65 Ca -0.02 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 54.69 1tcr s GLU 65 Cb -0.12 -2.81 -0.06 0.00 0.26 0.00 0.00 34.13 31.41 1tcr s GLU 65 CO -0.07 0.27 0.57 0.12 -0.54 0.00 0.00 175.26 175.61 1tcr s PHE 66 N 0.25 3.47 -0.29 5.30 5.36 0.13 -3.52 117.98 128.68 1tcr s PHE 66 Ca -0.05 0.71 0.04 0.00 -0.96 0.00 0.00 56.93 56.67 1tcr s PHE 66 Cb -0.14 -2.15 0.19 0.00 -0.34 0.00 0.00 43.02 40.57 1tcr s PHE 66 CO 0.04 0.17 0.56 -1.54 -1.46 0.00 0.00 175.22 172.98 1tcr s SER 67 N -3.03 -1.25 0.29 6.13 1.04 -1.17 -4.86 113.70 110.84 1tcr s SER 67 Ca 0.45 0.25 0.01 0.00 0.48 0.00 0.00 55.95 57.14 1tcr s SER 67 Cb -0.11 1.91 0.45 0.00 0.10 0.00 0.00 66.02 68.37 1tcr s SER 67 CO 0.29 -0.30 1.80 0.50 0.98 0.00 0.00 173.24 176.50 1tcr h LYS 68 N 8.03 0.64 -0.75 4.02 3.64 -1.98 0.29 116.57 130.45 1tcr h LYS 68 Ca -0.07 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1tcr h LYS 68 Cb 1.17 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.83 1tcr h LYS 68 CO 0.19 0.69 -0.45 0.43 -2.27 0.00 0.00 179.45 178.04 1tcr n SER 69 N -4.22 -0.80 -0.48 4.20 7.64 -1.26 -2.90 113.62 115.79 1tcr n SER 69 Ca 0.02 1.48 0.07 0.00 1.01 0.00 0.00 58.87 61.44 1tcr n SER 69 Cb 0.30 -0.24 0.14 0.00 -1.01 0.00 0.00 64.21 63.40 1tcr n SER 69 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1tcr n ASN 70 N -4.77 1.72 -3.66 6.43 6.94 -1.16 -5.05 115.26 115.70 1tcr n ASN 70 Ca 0.02 -3.21 -0.25 0.00 -0.02 0.00 0.00 54.58 51.11 1tcr n ASN 70 Cb 0.20 -0.44 0.01 0.00 -2.36 0.00 0.00 39.78 37.19 1tcr n ASN 70 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1tcr n SER 71 N -0.96 -4.51 -4.09 0.53 3.41 0.99 -4.98 113.62 104.01 1tcr n SER 71 Ca 0.15 -0.81 -0.10 0.00 -0.26 0.00 0.00 58.87 57.85 1tcr n SER 71 Cb 0.72 -1.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.11 1tcr n SER 71 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1tcr s SER 72 N -2.69 0.21 -0.47 4.04 1.04 -1.19 -3.21 113.70 111.42 1tcr s SER 72 Ca 0.05 -1.10 0.06 0.00 0.48 0.00 0.00 55.95 55.44 1tcr s SER 72 Cb -0.01 0.35 0.28 0.00 0.10 0.00 0.00 66.02 66.74 1tcr s SER 72 CO 0.83 -0.79 0.97 0.33 0.98 0.00 0.00 173.24 175.55 1tcr n PHE 73 N -0.15 -2.94 -2.46 5.02 7.35 -0.57 -3.06 117.46 120.65 1tcr n PHE 73 Ca -0.06 -2.04 -0.41 0.00 -0.76 0.00 0.00 57.45 54.18 1tcr n PHE 73 Cb 0.64 1.47 -0.04 0.00 0.35 0.00 0.00 39.48 41.89 1tcr n PHE 73 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1tcr s HIS 74 N 0.35 3.54 0.08 -5.13 3.76 -1.23 -4.28 115.29 112.38 1tcr s HIS 74 Ca 0.28 1.60 -0.11 0.00 -0.15 0.00 0.00 55.06 56.67 1tcr s HIS 74 Cb 0.26 -3.32 -0.06 0.00 1.11 0.00 0.00 32.58 30.57 1tcr s HIS 74 CO -0.15 -0.74 0.42 -1.17 -0.85 0.00 0.00 174.74 172.25 1tcr s LEU 75 N -0.79 4.37 -0.06 0.89 2.96 -0.09 -2.83 118.68 123.12 1tcr s LEU 75 Ca 0.48 0.86 -0.09 0.00 -0.22 0.00 0.00 54.13 55.16 1tcr s LEU 75 Cb -0.31 -2.96 0.02 0.00 0.50 0.00 0.00 46.19 43.44 1tcr s LEU 75 CO 0.38 0.19 0.24 -0.13 -1.32 0.00 0.00 176.35 175.71 1tcr s ARG 76 N -1.78 0.38 -0.07 1.98 0.52 0.22 -0.53 118.95 119.67 1tcr s ARG 76 Ca 0.32 0.13 -0.02 0.00 -0.52 0.00 0.00 55.73 55.65 1tcr s ARG 76 Cb -0.15 0.18 0.03 0.00 0.52 0.00 0.00 34.95 35.53 1tcr s ARG 76 CO 0.17 -0.07 0.02 0.21 0.02 0.00 0.00 175.30 175.65 1tcr s LYS 77 N -0.36 0.47 0.17 3.54 2.47 -0.09 -0.92 119.74 125.01 1tcr s LYS 77 Ca -0.05 0.14 -0.22 0.00 -1.56 0.00 0.00 55.97 54.28 1tcr s LYS 77 Cb -0.03 -0.95 0.07 0.00 -1.46 0.00 0.00 37.83 35.46 1tcr s LYS 77 CO 0.01 -0.33 1.60 0.00 0.16 0.00 0.00 175.35 176.79 1tcr h ALA 78 N 8.35 -0.14 -3.42 3.13 0.00 -1.85 -1.66 119.26 123.67 1tcr h ALA 78 Ca -0.18 0.11 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1tcr h ALA 78 Cb 1.12 0.69 -0.36 0.00 0.00 0.00 0.00 17.79 19.24 1tcr h ALA 78 CO 0.24 -0.70 -0.74 0.45 0.00 0.00 0.00 179.25 178.50 1tcr s SER 79 N -5.09 0.68 0.33 0.00 0.15 -1.26 -3.62 113.70 104.88 1tcr s SER 79 Ca -0.15 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.48 1tcr s SER 79 Cb 0.14 -0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.23 1tcr s SER 79 CO 0.68 -0.17 0.59 0.68 1.20 0.00 0.00 173.24 176.23 1tcr s VAL 80 N 1.53 5.00 0.10 4.45 -7.23 -0.33 -4.88 120.40 119.04 1tcr s VAL 80 Ca -0.03 0.05 0.04 0.00 -1.81 0.00 0.00 61.98 60.23 1tcr s VAL 80 Cb -0.13 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.01 1tcr s VAL 80 CO -0.03 -0.42 -0.11 -1.00 -0.31 0.00 0.00 175.10 173.23 1tcr s HIS 81 N -2.20 1.14 0.29 2.82 3.76 -1.26 -0.93 115.29 118.90 1tcr s HIS 81 Ca 0.44 -0.62 -0.03 0.00 -0.15 0.00 0.00 55.06 54.71 1tcr s HIS 81 Cb -0.10 -0.62 0.61 0.00 1.11 0.00 0.00 32.58 33.58 1tcr s HIS 81 CO 0.32 0.04 1.58 2.35 -0.85 0.00 0.00 174.74 178.17 1tcr h TRP 82 N 3.61 -0.22 0.00 1.40 7.01 -1.94 0.30 115.95 126.12 1tcr h TRP 82 Ca -0.38 0.08 0.00 0.00 2.11 0.00 0.00 58.89 60.70 1tcr h TRP 82 Cb 1.19 0.25 0.00 0.00 -2.10 0.00 0.00 29.16 28.50 1tcr h TRP 82 CO 0.64 -0.41 0.01 -1.13 -2.79 0.00 0.00 178.44 174.76 1tcr n SER 83 N -5.52 0.36 0.11 2.65 3.41 -1.26 -1.73 113.62 111.65 1tcr n SER 83 Ca 0.19 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.59 1tcr n SER 83 Cb 0.63 -0.71 0.45 0.00 -0.26 0.00 0.00 64.21 64.31 1tcr n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tcr n ASP 84 N -1.99 0.72 -4.65 4.04 8.00 0.11 -4.81 116.55 117.97 1tcr n ASP 84 Ca -0.01 0.61 -0.42 0.00 0.71 0.00 0.00 54.79 55.68 1tcr n ASP 84 Cb 0.03 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.32 1tcr n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1tcr s SER 85 N -4.34 6.27 0.02 -2.24 0.01 -0.70 -4.87 113.70 107.85 1tcr s SER 85 Ca 0.08 2.53 -0.03 0.00 1.31 0.00 0.00 55.95 59.84 1tcr s SER 85 Cb 0.11 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.83 1tcr s SER 85 CO 0.51 -1.22 0.15 0.00 0.41 0.00 0.00 173.24 173.09 1tcr n ALA 86 N 8.28 -0.39 -3.21 1.44 0.00 -0.95 -4.90 120.51 120.78 1tcr n ALA 86 Ca 0.22 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.18 1tcr n ALA 86 Cb 0.42 0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 1tcr n ALA 86 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1tcr s VAL 87 N -2.42 3.77 -0.22 0.00 1.01 -0.81 0.53 120.40 122.25 1tcr s VAL 87 Ca 0.03 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1tcr s VAL 87 Cb -0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1tcr s VAL 87 CO 0.01 0.42 0.08 -0.31 0.00 0.00 0.00 175.10 175.30 1tcr s TYR 88 N 1.16 3.16 -0.07 5.22 1.51 0.67 -0.37 117.35 128.62 1tcr s TYR 88 Ca 0.03 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 1tcr s TYR 88 Cb -0.14 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 1tcr s TYR 88 CO 0.01 -0.12 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.17 1tcr s PHE 89 N 1.08 2.83 0.06 2.71 0.08 0.92 -0.69 117.98 124.98 1tcr s PHE 89 Ca 0.04 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 56.97 1tcr s PHE 89 Cb -0.14 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1tcr s PHE 89 CO 0.03 0.19 0.09 0.00 -0.10 0.00 0.00 175.22 175.44 1tcr s ALA 91 N -1.35 -0.38 -0.02 0.00 0.00 -0.78 0.31 121.76 119.54 1tcr s ALA 91 Ca 0.28 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.12 1tcr s ALA 91 Cb -0.12 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 1tcr s ALA 91 CO 0.21 -0.27 -0.08 0.54 0.00 0.00 0.00 175.76 176.15 1tcr s VAL 92 N -1.84 0.69 0.00 0.00 0.11 0.12 -1.39 120.40 118.10 1tcr s VAL 92 Ca -0.11 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1tcr s VAL 92 Cb -0.05 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1tcr s VAL 92 CO -0.00 0.21 0.00 -1.54 -3.33 0.00 0.00 175.10 170.44 1tcr n SER 93 N 3.13 0.01 0.00 3.54 3.41 -1.06 -0.47 113.62 122.18 1tcr n SER 93 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1tcr n SER 93 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1tcr n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tcr n GLY 99 N 0.05 0.15 3.67 5.00 0.00 -1.22 -2.32 105.19 110.51 1tcr n GLY 99 Ca 0.00 -1.08 -0.49 0.00 0.00 0.00 0.00 46.02 44.46 1tcr n GLY 99 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1tcr n PHE 100 N -0.54 2.23 -3.27 1.61 7.35 -1.26 -1.17 117.46 122.40 1tcr n PHE 100 Ca 0.00 0.18 -0.24 0.00 -0.76 0.00 0.00 57.45 56.63 1tcr n PHE 100 Cb 0.00 -2.58 0.03 0.00 0.35 0.00 0.00 39.48 37.28 1tcr n PHE 100 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tcr n ALA 101 N 5.17 -1.07 -3.78 3.13 0.00 -1.26 -4.98 120.51 117.72 1tcr n ALA 101 Ca 0.21 0.24 -0.24 0.00 0.00 0.00 0.00 53.44 53.65 1tcr n ALA 101 Cb 0.27 -3.89 -0.17 0.00 0.00 0.00 0.00 19.45 15.66 1tcr n ALA 101 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1tcr s SER 102 N -2.84 1.72 0.49 0.00 0.01 -0.32 -5.14 113.70 107.62 1tcr s SER 102 Ca 0.40 -0.18 -0.22 0.00 1.31 0.00 0.00 55.95 57.27 1tcr s SER 102 Cb -0.19 -0.60 -0.07 0.00 0.21 0.00 0.00 66.02 65.37 1tcr s SER 102 CO 0.50 -0.14 1.17 0.00 0.41 0.00 0.00 173.24 175.18 1tcr s ALA 103 N 1.66 2.87 0.11 1.44 0.00 -1.26 -3.46 121.76 123.13 1tcr s ALA 103 Ca 0.02 0.93 -0.36 0.00 0.00 0.00 0.00 51.96 52.55 1tcr s ALA 103 Cb -0.13 -3.39 -0.16 0.00 0.00 0.00 0.00 23.12 19.45 1tcr s ALA 103 CO -0.05 -0.74 1.44 1.28 0.00 0.00 0.00 175.76 177.68 1tcr n LEU 104 N -0.78 2.21 -4.51 0.00 4.77 -1.26 -4.72 117.00 112.72 1tcr n LEU 104 Ca 0.09 1.10 -0.34 0.00 -0.03 0.00 0.00 56.01 56.84 1tcr n LEU 104 Cb 0.49 -1.28 -0.12 0.00 -2.33 0.00 0.00 43.42 40.18 1tcr n LEU 104 CO 0.46 -0.75 -0.37 -0.89 -1.33 0.00 0.00 177.39 174.52 1tcr s THR 105 N 0.70 3.76 0.18 -5.08 2.01 0.38 -4.94 115.64 112.65 1tcr s THR 105 Ca 0.82 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 62.46 1tcr s THR 105 Cb -0.85 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1tcr s THR 105 CO 0.44 0.53 0.13 -0.36 -0.69 0.00 0.00 174.62 174.66 1tcr s PHE 106 N 0.03 3.10 0.40 4.92 0.08 -1.26 -0.70 117.98 124.55 1tcr s PHE 106 Ca -0.00 -0.04 -0.06 0.00 0.12 0.00 0.00 56.93 56.94 1tcr s PHE 106 Cb -0.14 -1.48 0.09 0.00 -0.57 0.00 0.00 43.02 40.93 1tcr s PHE 106 CO 0.03 0.52 0.54 0.41 -0.10 0.00 0.00 175.22 176.62 1tcr n GLY 107 N -0.43 -1.18 0.03 4.36 0.00 0.15 -4.69 105.19 103.43 1tcr n GLY 107 Ca -0.08 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.37 1tcr n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tcr n SER 108 N -3.33 0.30 0.00 1.61 3.41 -1.26 -4.83 113.62 109.51 1tcr n SER 108 Ca 0.07 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1tcr n SER 108 Cb 0.24 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1tcr n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tcr n GLY 109 N 1.45 -0.13 2.76 5.00 0.00 -1.26 -5.03 105.19 107.99 1tcr n GLY 109 Ca 0.08 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.25 1tcr n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tcr s THR 110 N -2.98 0.41 -0.27 2.61 2.01 0.14 -4.54 115.64 113.02 1tcr s THR 110 Ca 0.00 -0.04 -0.27 0.00 0.31 0.00 0.00 61.69 61.70 1tcr s THR 110 Cb 0.00 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.87 1tcr s THR 110 CO 0.00 0.15 0.94 -0.75 -0.69 0.00 0.00 174.62 174.27 1tcr s LYS 111 N 1.95 4.13 -0.27 4.92 2.20 -0.43 -0.24 119.74 132.00 1tcr s LYS 111 Ca 0.04 1.01 -0.11 0.00 -0.36 0.00 0.00 55.97 56.55 1tcr s LYS 111 Cb -0.13 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.45 1tcr s LYS 111 CO -0.06 -0.68 0.18 0.08 -0.36 0.00 0.00 175.35 174.51 1tcr s VAL 112 N 3.17 5.26 -0.42 4.02 1.01 0.19 -1.71 120.40 131.92 1tcr s VAL 112 Ca 0.39 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 1tcr s VAL 112 Cb -0.14 -3.49 0.11 0.00 0.00 0.00 0.00 36.38 32.85 1tcr s VAL 112 CO 0.10 0.28 0.22 -0.63 0.00 0.00 0.00 175.10 175.07 1tcr s ILE 113 N 1.60 3.47 -0.33 2.22 1.01 -0.32 -2.24 121.20 126.61 1tcr s ILE 113 Ca 0.07 -1.97 -0.15 0.00 0.00 0.00 0.00 60.65 58.60 1tcr s ILE 113 Cb -0.15 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 1tcr s ILE 113 CO 0.09 -0.68 0.37 0.54 0.00 0.00 0.00 174.94 175.26 1tcr s VAL 114 N 1.19 5.16 -0.18 2.92 0.11 -1.25 -1.45 120.40 126.89 1tcr s VAL 114 Ca 0.07 0.13 -0.29 0.00 -2.93 0.00 0.00 61.98 58.96 1tcr s VAL 114 Cb -0.23 -3.82 -0.00 0.00 -1.53 0.00 0.00 36.38 30.80 1tcr s VAL 114 CO -0.03 -0.07 1.13 -0.76 -3.33 0.00 0.00 175.10 172.04 1tcr s LEU 115 N 2.06 4.16 0.61 2.54 1.43 0.31 -4.71 118.68 125.07 1tcr s LEU 115 Ca 0.13 1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 1tcr s LEU 115 Cb -0.16 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1tcr s LEU 115 CO 0.12 -0.67 1.03 -2.16 0.23 0.00 0.00 176.35 174.89 1tcr s PRO 116 N 3.11 3.55 -0.41 1.29 0.04 -1.26 -1.32 135.00 139.99 1tcr s PRO 116 Ca 0.49 0.85 -0.23 0.00 0.04 0.00 0.00 61.00 62.15 1tcr s PRO 116 Cb -0.19 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.30 1tcr s PRO 116 CO 0.12 -0.61 0.78 -0.47 0.04 0.00 0.00 177.00 176.86 1tcr s TYR 117 N -3.00 3.04 -0.72 0.56 5.04 -1.26 -4.55 117.35 116.47 1tcr s TYR 117 Ca 0.57 0.33 -0.20 0.00 -2.44 0.00 0.00 57.07 55.32 1tcr s TYR 117 Cb -0.12 -3.56 0.10 0.00 0.35 0.00 0.00 41.96 38.74 1tcr s TYR 117 CO 0.48 -0.88 0.93 0.42 -1.34 0.00 0.00 175.55 175.16 1tcr s ILE 118 N 3.22 4.60 0.07 3.14 -1.09 -1.26 -4.94 121.20 124.94 1tcr s ILE 118 Ca 0.30 -0.91 -0.28 0.00 -2.23 0.00 0.00 60.65 57.54 1tcr s ILE 118 Cb -0.12 -4.65 -0.13 0.00 -1.58 0.00 0.00 42.46 35.97 1tcr s ILE 118 CO 0.20 -1.37 1.43 -0.61 -1.23 0.00 0.00 174.94 173.37 1tcr h GLN 119 N 9.22 -0.72 -3.40 2.79 4.15 -1.97 -3.36 115.11 121.82 1tcr h GLN 119 Ca -0.16 0.05 -0.67 0.00 0.77 0.00 0.00 58.65 58.64 1tcr h GLN 119 Cb 1.06 0.16 -0.38 0.00 0.21 0.00 0.00 27.48 28.54 1tcr h GLN 119 CO 1.13 -0.48 -0.44 -0.80 -1.93 0.00 0.00 178.83 176.31 1tcr s ASN 120 N -3.95 4.99 0.09 -0.69 0.01 -1.26 -5.09 114.94 109.04 1tcr s ASN 120 Ca -0.14 -3.18 -0.30 0.00 -0.71 0.00 0.00 52.86 48.54 1tcr s ASN 120 Cb 0.04 -1.76 -0.05 0.00 0.41 0.00 0.00 41.25 39.88 1tcr s ASN 120 CO 0.47 -0.26 1.02 -2.16 -1.51 0.00 0.00 177.10 174.66 1tcr s PRO 121 N -0.52 4.62 -0.60 -0.60 0.04 -1.26 -5.04 135.00 131.63 1tcr s PRO 121 Ca 0.20 1.53 0.05 0.00 0.04 0.00 0.00 61.00 62.82 1tcr s PRO 121 Cb -0.18 -3.37 0.20 0.00 0.04 0.00 0.00 34.50 31.19 1tcr s PRO 121 CO -0.05 0.08 0.55 0.39 0.04 0.00 0.00 177.00 178.00 1tcr n GLU 122 N 3.09 1.64 -1.65 4.56 1.02 -0.58 -4.99 120.64 123.73 1tcr n GLU 122 Ca 0.04 -4.18 -0.53 0.00 -0.02 0.00 0.00 57.16 52.47 1tcr n GLU 122 Cb 0.49 -2.05 -0.06 0.00 -0.02 0.00 0.00 31.44 29.79 1tcr n GLU 122 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1tcr n PRO 123 N 1.71 1.51 -3.81 3.49 -0.02 -1.22 -4.65 135.00 132.00 1tcr n PRO 123 Ca 0.25 0.53 -0.12 0.00 -2.02 0.00 0.00 63.50 62.13 1tcr n PRO 123 Cb 0.41 -2.37 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 1tcr n PRO 123 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tcr s ALA 124 N 4.55 -0.43 -0.21 3.55 0.00 -1.06 -3.75 121.76 124.41 1tcr s ALA 124 Ca 0.99 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 1tcr s ALA 124 Cb -0.89 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 21.96 1tcr s ALA 124 CO 0.57 -0.08 -0.12 0.08 0.00 0.00 0.00 175.76 176.21 1tcr s VAL 125 N 0.09 2.63 -0.03 0.00 1.01 -1.20 -1.68 120.40 121.21 1tcr s VAL 125 Ca -0.00 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1tcr s VAL 125 Cb -0.01 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1tcr s VAL 125 CO 0.00 0.41 -0.02 -0.31 0.00 0.00 0.00 175.10 175.18 1tcr s TYR 126 N 1.35 3.06 -0.32 5.22 2.02 0.46 -3.19 117.35 125.95 1tcr s TYR 126 Ca 0.04 0.09 -0.14 0.00 -0.37 0.00 0.00 57.07 56.69 1tcr s TYR 126 Cb -0.14 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.69 1tcr s TYR 126 CO -0.08 0.43 0.32 0.00 -1.57 0.00 0.00 175.55 174.65 1tcr s ALA 127 N -0.98 3.52 0.27 3.71 0.00 -1.26 0.22 121.76 127.24 1tcr s ALA 127 Ca 0.16 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1tcr s ALA 127 Cb -0.11 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 1tcr s ALA 127 CO 0.06 -0.88 0.39 -0.51 0.00 0.00 0.00 175.76 174.83 1tcr s LEU 128 N 1.95 4.22 0.03 0.00 1.43 0.83 -4.81 118.68 122.33 1tcr s LEU 128 Ca 0.11 0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1tcr s LEU 128 Cb -0.16 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 1tcr s LEU 128 CO 0.11 -0.17 -0.16 -0.54 0.23 0.00 0.00 176.35 175.82 1tcr s LYS 129 N -4.04 1.06 -0.48 1.70 1.02 -1.26 -2.19 119.74 115.55 1tcr s LYS 129 Ca 0.37 -0.77 -0.16 0.00 0.02 0.00 0.00 55.97 55.44 1tcr s LYS 129 Cb -0.09 -1.09 0.08 0.00 -0.52 0.00 0.00 37.83 36.21 1tcr s LYS 129 CO 0.30 0.28 0.41 0.34 -0.92 0.00 0.00 175.35 175.75 1tcr s ASP 132 N -1.05 6.15 0.12 2.83 2.15 -0.52 -4.97 116.67 121.39 1tcr s ASP 132 Ca 0.03 -1.39 -0.20 0.00 0.43 0.00 0.00 52.55 51.42 1tcr s ASP 132 Cb -0.08 -2.19 -0.07 0.00 -0.30 0.00 0.00 42.92 40.29 1tcr s ASP 132 CO 0.01 -0.68 1.77 -0.65 -0.17 0.00 0.00 175.17 175.46 1tcr h PRO 133 N 8.78 0.27 -2.07 4.34 0.11 -1.99 -3.03 132.00 138.41 1tcr h PRO 133 Ca -0.29 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 1tcr h PRO 133 Cb 1.11 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1tcr h PRO 133 CO 0.90 0.18 -0.02 0.54 -0.21 0.00 0.00 178.00 179.39 1tcr n ARG 134 N -4.94 0.81 -3.15 1.05 1.74 -1.26 -4.34 116.66 106.56 1tcr n ARG 134 Ca -0.03 -0.14 0.06 0.00 -0.77 0.00 0.00 57.85 56.97 1tcr n ARG 134 Cb 0.03 -1.30 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 1tcr n ARG 134 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1tcr s SER 135 N 2.07 -0.01 0.46 0.55 0.01 -1.14 -5.12 113.70 110.51 1tcr s SER 135 Ca 0.09 0.00 -0.24 0.00 1.31 0.00 0.00 55.95 57.11 1tcr s SER 135 Cb 0.04 1.01 -0.07 0.00 0.21 0.00 0.00 66.02 67.21 1tcr s SER 135 CO 0.00 -0.00 1.30 -1.58 0.41 0.00 0.00 173.24 173.37 1tcr s GLN 136 N 3.00 3.67 0.00 12.44 2.00 -1.26 -2.72 119.66 136.79 1tcr s GLN 136 Ca 0.16 2.12 0.00 0.00 -2.00 0.00 0.00 55.36 55.63 1tcr s GLN 136 Cb -0.03 -2.54 0.00 0.00 0.80 0.00 0.00 33.01 31.25 1tcr s GLN 136 CO -0.16 -0.72 0.00 -0.40 -0.50 0.00 0.00 175.29 173.51 1tcr n ASP 137 N -0.35 0.00 -4.60 6.67 5.68 -1.26 -4.97 116.55 117.72 1tcr n ASP 137 Ca 0.06 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.93 1tcr n ASP 137 Cb 0.45 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 1tcr n ASP 137 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1tcr s SER 138 N -0.09 5.68 0.06 -1.12 0.01 -1.10 -4.95 113.70 112.19 1tcr s SER 138 Ca 0.00 1.45 -0.07 0.00 1.31 0.00 0.00 55.95 58.64 1tcr s SER 138 Cb 0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 1tcr s SER 138 CO 0.00 -1.86 0.13 0.42 0.41 0.00 0.00 173.24 172.35 1tcr s THR 139 N 7.61 0.15 0.13 1.44 -4.23 -1.26 -1.44 115.64 118.04 1tcr s THR 139 Ca 0.87 -1.22 -0.14 0.00 -1.18 0.00 0.00 61.69 60.01 1tcr s THR 139 Cb -0.25 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.39 1tcr s THR 139 CO 0.33 -0.68 0.35 -1.48 -0.54 0.00 0.00 174.62 172.61 1tcr s LEU 140 N -2.61 0.64 -0.19 4.79 2.34 -0.93 -4.68 118.68 118.05 1tcr s LEU 140 Ca 0.02 -0.45 -0.07 0.00 0.06 0.00 0.00 54.13 53.69 1tcr s LEU 140 Cb 0.03 1.64 -0.04 0.00 -0.56 0.00 0.00 46.19 47.26 1tcr s LEU 140 CO -0.08 -0.85 0.05 0.00 -1.06 0.00 0.00 176.35 174.41 1tcr s LEU 142 N 0.62 3.82 -0.24 0.00 2.96 0.13 -1.49 118.68 124.48 1tcr s LEU 142 Ca 0.03 -0.62 -0.12 0.00 -0.22 0.00 0.00 54.13 53.20 1tcr s LEU 142 Cb -0.13 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 1tcr s LEU 142 CO 0.02 -0.17 0.21 0.12 -1.32 0.00 0.00 176.35 175.20 1tcr s PHE 143 N 1.53 3.31 0.20 5.38 5.36 -0.62 -0.40 117.98 132.74 1tcr s PHE 143 Ca 0.03 0.28 -0.12 0.00 -0.96 0.00 0.00 56.93 56.16 1tcr s PHE 143 Cb -0.17 -2.34 0.00 0.00 -0.34 0.00 0.00 43.02 40.18 1tcr s PHE 143 CO 0.03 0.01 0.42 -0.08 -1.46 0.00 0.00 175.22 174.14 1tcr s THR 144 N 1.23 0.03 -1.89 0.12 -1.32 -0.68 -2.06 115.64 111.07 1tcr s THR 144 Ca 0.10 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 1tcr s THR 144 Cb -0.14 -1.92 0.00 0.00 -1.51 0.00 0.00 72.50 68.93 1tcr s THR 144 CO 0.06 -0.13 0.00 0.47 -2.21 0.00 0.00 174.62 172.81 1tcr n ASP 145 N -0.31 -5.38 -4.60 8.08 8.00 -0.44 -2.58 116.55 119.32 1tcr n ASP 145 Ca -0.06 0.30 -0.27 0.00 0.71 0.00 0.00 54.79 55.47 1tcr n ASP 145 Cb 0.62 -4.51 0.12 0.00 -0.02 0.00 0.00 41.12 37.33 1tcr n ASP 145 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1tcr s PHE 146 N -2.80 2.22 0.04 1.24 -0.71 -1.26 -1.52 117.98 115.19 1tcr s PHE 146 Ca 0.00 0.31 -0.22 0.00 -1.04 0.00 0.00 56.93 55.98 1tcr s PHE 146 Cb 0.00 -3.53 -0.06 0.00 -1.21 0.00 0.00 43.02 38.23 1tcr s PHE 146 CO 0.00 -1.95 0.66 0.34 -1.34 0.00 0.00 175.22 172.94 1tcr s ASP 147 N -4.70 7.11 0.54 1.98 2.15 -1.26 -4.49 116.67 118.01 1tcr s ASP 147 Ca 0.66 1.32 0.13 0.00 0.43 0.00 0.00 52.55 55.09 1tcr s ASP 147 Cb -0.07 -2.41 0.72 0.00 -0.30 0.00 0.00 42.92 40.86 1tcr s ASP 147 CO 0.48 0.11 1.35 0.28 -0.17 0.00 0.00 175.17 177.22 1tcr h SER 148 N 5.34 0.00 1.07 -0.34 0.02 -1.94 0.12 113.55 117.82 1tcr h SER 148 Ca -0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 1tcr h SER 148 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1tcr h SER 148 CO 0.69 0.00 -0.94 1.56 -1.14 0.00 0.00 176.83 177.00 1tcr h GLN 149 N 0.00 0.00 -6.94 3.45 1.08 -1.92 -3.47 115.11 107.31 1tcr h GLN 149 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 1tcr h GLN 149 Cb 1.16 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 28.64 1tcr h GLN 149 CO 0.00 0.04 0.49 -1.50 -0.95 0.00 0.00 178.83 176.91 1tcr s ILE 150 N -3.30 3.22 -0.21 2.54 2.07 0.41 -5.00 121.20 120.94 1tcr s ILE 150 Ca 0.00 1.03 -0.17 0.00 -1.41 0.00 0.00 60.65 60.10 1tcr s ILE 150 Cb 0.09 -3.58 -0.03 0.00 0.13 0.00 0.00 42.46 39.07 1tcr s ILE 150 CO 0.78 0.10 0.47 0.54 -1.91 0.00 0.00 174.94 174.91 1tcr s ASN 151 N -1.16 6.49 -0.08 4.50 4.22 -1.26 -4.98 114.94 122.67 1tcr s ASN 151 Ca 0.56 0.58 -0.30 0.00 -2.14 0.00 0.00 52.86 51.57 1tcr s ASN 151 Cb -0.30 -2.27 -0.04 0.00 1.28 0.00 0.00 41.25 39.93 1tcr s ASN 151 CO 0.38 -0.15 1.38 0.54 -2.04 0.00 0.00 177.10 177.20 1tcr s VAL 152 N 1.60 3.96 0.36 3.54 0.11 -1.26 -4.96 120.40 123.76 1tcr s VAL 152 Ca 0.22 1.24 -0.24 0.00 -2.93 0.00 0.00 61.98 60.26 1tcr s VAL 152 Cb -0.15 -3.80 -0.13 0.00 -1.53 0.00 0.00 36.38 30.77 1tcr s VAL 152 CO 0.09 -0.06 0.65 -0.81 -3.33 0.00 0.00 175.10 171.64 1tcr n PRO 153 N 6.18 0.68 -3.35 1.54 -0.04 -1.26 -4.98 135.00 133.77 1tcr n PRO 153 Ca 0.14 0.24 -0.23 0.00 -0.04 0.00 0.00 63.50 63.61 1tcr n PRO 153 Cb 0.44 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 1tcr n PRO 153 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1tcr s LYS 154 N -1.51 3.38 0.76 0.54 -0.14 -1.26 -4.94 119.74 116.57 1tcr s LYS 154 Ca 0.62 -0.43 -0.11 0.00 -1.36 0.00 0.00 55.97 54.69 1tcr s LYS 154 Cb -0.66 -2.67 0.05 0.00 -1.68 0.00 0.00 37.83 32.87 1tcr s LYS 154 CO 0.58 0.08 1.09 0.99 -0.76 0.00 0.00 175.35 177.34 1tcr s THR 155 N -2.33 3.34 0.22 2.17 2.01 -1.26 -5.00 115.64 114.78 1tcr s THR 155 Ca 0.41 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1tcr s THR 155 Cb -0.10 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1tcr s THR 155 CO 0.36 -0.55 0.00 0.80 -0.69 0.00 0.00 174.62 174.54 1tcr n MET 156 N -3.41 0.00 -2.01 4.92 1.56 -1.26 -5.10 117.12 111.82 1tcr n MET 156 Ca 0.09 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 57.24 1tcr n MET 156 Cb 0.53 -0.20 0.08 0.00 2.15 0.00 0.00 33.22 35.78 1tcr n MET 156 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1tcr s GLU 157 N -1.99 2.19 0.36 2.12 8.01 -1.26 -5.07 118.70 123.06 1tcr s GLU 157 Ca 0.00 0.05 -0.09 0.00 0.01 0.00 0.00 54.97 54.94 1tcr s GLU 157 Cb 0.00 -2.04 -0.06 0.00 -4.31 0.00 0.00 34.13 27.72 1tcr s GLU 157 CO 0.00 -1.38 0.70 -1.12 0.01 0.00 0.00 175.26 173.47 1tcr s SER 158 N -4.52 6.52 0.00 -0.19 0.01 -1.26 -3.92 113.70 110.34 1tcr s SER 158 Ca 0.61 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.87 1tcr s SER 158 Cb -0.11 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1tcr s SER 158 CO 0.48 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1tcr n GLY 159 N -1.10 0.66 3.01 3.44 0.00 -1.26 -4.97 105.19 104.97 1tcr n GLY 159 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1tcr n GLY 159 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tcr s THR 160 N -2.82 0.89 0.03 2.61 2.01 -1.25 -1.51 115.64 115.59 1tcr s THR 160 Ca 0.00 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1tcr s THR 160 Cb 0.00 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1tcr s THR 160 CO 0.00 0.28 -0.08 0.12 -0.69 0.00 0.00 174.62 174.25 1tcr s PHE 161 N 0.30 0.67 -0.06 4.92 2.19 -0.57 -4.78 117.98 120.65 1tcr s PHE 161 Ca -0.06 -0.36 -0.00 0.00 0.33 0.00 0.00 56.93 56.84 1tcr s PHE 161 Cb -0.10 -0.41 0.02 0.00 -1.31 0.00 0.00 43.02 41.22 1tcr s PHE 161 CO 0.01 -0.05 -0.02 0.42 1.83 0.00 0.00 175.22 177.41 1tcr s ILE 162 N -0.95 0.49 1.00 3.12 1.01 -1.26 -2.23 121.20 122.38 1tcr s ILE 162 Ca -0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.42 1tcr s ILE 162 Cb -0.07 -0.57 0.21 0.00 0.01 0.00 0.00 42.46 42.03 1tcr s ILE 162 CO 0.00 0.25 1.27 0.42 0.00 0.00 0.00 174.94 176.88 1tcr s THR 163 N 1.47 1.92 0.29 2.92 -4.23 -0.48 -4.80 115.64 112.72 1tcr s THR 163 Ca -0.02 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.42 1tcr s THR 163 Cb -0.13 -2.89 -0.06 0.00 1.34 0.00 0.00 72.50 70.76 1tcr s THR 163 CO -0.03 0.00 0.59 -1.81 -0.54 0.00 0.00 174.62 172.83 1tcr s ASP 164 N -4.64 6.50 0.40 3.99 1.01 -1.26 -4.69 116.67 117.97 1tcr s ASP 164 Ca 0.73 0.83 -0.27 0.00 0.71 0.00 0.00 52.55 54.55 1tcr s ASP 164 Cb -0.06 -2.19 -0.10 0.00 1.01 0.00 0.00 42.92 41.58 1tcr s ASP 164 CO 0.53 -0.20 1.42 0.00 0.21 0.00 0.00 175.17 177.13 1tcr n ALA 165 N -0.79 1.99 -2.42 5.23 0.00 -1.26 -4.74 120.51 118.52 1tcr n ALA 165 Ca -0.00 0.31 -0.17 0.00 0.00 0.00 0.00 53.44 53.58 1tcr n ALA 165 Cb 0.54 -2.37 -0.11 0.00 0.00 0.00 0.00 19.45 17.51 1tcr n ALA 165 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1tcr s THR 166 N -1.14 1.30 -0.16 0.00 -4.23 -0.36 -4.96 115.64 106.09 1tcr s THR 166 Ca 0.56 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1tcr s THR 166 Cb -0.49 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1tcr s THR 166 CO 0.61 -0.53 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.32 1tcr s VAL 167 N -2.53 2.61 0.10 2.29 1.01 -1.26 -1.77 120.40 120.85 1tcr s VAL 167 Ca 0.12 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1tcr s VAL 167 Cb -0.03 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1tcr s VAL 167 CO 0.03 0.51 -0.06 -1.48 0.00 0.00 0.00 175.10 174.10 1tcr s LEU 168 N 0.87 3.22 -0.06 3.92 0.05 -0.40 -4.92 118.68 121.36 1tcr s LEU 168 Ca -0.04 -0.30 0.04 0.00 0.05 0.00 0.00 54.13 53.88 1tcr s LEU 168 Cb -0.15 -1.99 -0.00 0.00 -2.05 0.00 0.00 46.19 42.00 1tcr s LEU 168 CO -0.01 0.18 -0.19 -0.62 -0.55 0.00 0.00 176.35 175.15 1tcr s ASP 169 N -2.25 2.46 0.17 1.48 2.15 -1.26 -0.80 116.67 118.63 1tcr s ASP 169 Ca 0.23 -0.42 0.02 0.00 0.43 0.00 0.00 52.55 52.82 1tcr s ASP 169 Cb -0.11 -0.87 0.02 0.00 -0.30 0.00 0.00 42.92 41.67 1tcr s ASP 169 CO 0.16 0.15 0.20 0.23 -0.17 0.00 0.00 175.17 175.74 1tcr n MET 170 N 3.32 1.01 -1.56 4.34 2.81 -0.07 -5.01 117.12 121.96 1tcr n MET 170 Ca -0.19 -0.98 -0.34 0.00 -1.81 0.00 0.00 57.70 54.37 1tcr n MET 170 Cb 0.53 -0.01 0.04 0.00 -0.71 0.00 0.00 33.22 33.06 1tcr n MET 170 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1tcr n LYS 171 N -1.21 2.58 -4.45 0.03 5.02 -1.26 -4.89 118.16 113.97 1tcr n LYS 171 Ca 0.03 -3.06 -0.22 0.00 -2.02 0.00 0.00 58.31 53.04 1tcr n LYS 171 Cb 0.19 -2.19 -0.11 0.00 -0.02 0.00 0.00 35.03 32.90 1tcr n LYS 171 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tcr s ALA 172 N -3.40 2.40 0.27 7.82 0.00 -1.26 -5.05 121.76 122.54 1tcr s ALA 172 Ca 0.55 -2.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.45 1tcr s ALA 172 Cb 0.43 0.53 0.38 0.00 0.00 0.00 0.00 23.12 24.46 1tcr s ALA 172 CO -0.22 -0.25 1.82 1.98 0.00 0.00 0.00 175.76 179.09 1tcr h MET 173 N 2.13 0.85 0.00 0.00 4.05 -2.06 -3.38 114.93 116.53 1tcr h MET 173 Ca -0.41 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 1tcr h MET 173 Cb 1.24 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 1tcr h MET 173 CO 0.70 0.77 0.00 -3.47 0.23 0.00 0.00 176.91 175.13 1tcr n ASP 174 N -4.27 0.00 -1.16 1.39 2.03 -1.26 -4.89 116.55 108.39 1tcr n ASP 174 Ca 0.04 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.35 1tcr n ASP 174 Cb 0.23 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.63 1tcr n ASP 174 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1tcr n SER 175 N -0.22 -0.32 -4.74 1.67 7.64 -1.26 -4.86 113.62 111.52 1tcr n SER 175 Ca 0.00 0.15 -0.35 0.00 1.01 0.00 0.00 58.87 59.67 1tcr n SER 175 Cb 0.00 -0.32 -0.08 0.00 -1.01 0.00 0.00 64.21 62.80 1tcr n SER 175 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1tcr s LYS 176 N -1.61 3.65 -0.04 1.43 1.02 -1.26 -0.89 119.74 122.04 1tcr s LYS 176 Ca 0.01 -0.27 -0.03 0.00 0.02 0.00 0.00 55.97 55.70 1tcr s LYS 176 Cb -0.00 -3.16 0.02 0.00 -0.52 0.00 0.00 37.83 34.17 1tcr s LYS 176 CO 0.01 0.52 0.10 0.45 -0.92 0.00 0.00 175.35 175.52 1tcr s SER 177 N -0.33 -0.09 0.20 2.83 0.15 0.02 -4.97 113.70 111.52 1tcr s SER 177 Ca 0.10 0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.82 1tcr s SER 177 Cb -0.12 0.17 -0.07 0.00 -1.71 0.00 0.00 66.02 64.29 1tcr s SER 177 CO 0.01 -0.07 0.58 0.20 1.20 0.00 0.00 173.24 175.17 1tcr s ASN 178 N 0.41 6.76 0.09 5.45 0.01 -1.26 -1.28 114.94 125.12 1tcr s ASN 178 Ca -0.03 1.07 -0.19 0.00 -0.71 0.00 0.00 52.86 53.00 1tcr s ASN 178 Cb -0.04 -2.28 0.04 0.00 0.41 0.00 0.00 41.25 39.37 1tcr s ASN 178 CO -0.02 -0.00 0.45 -0.83 -1.51 0.00 0.00 177.10 175.19 1tcr s GLY 179 N -2.01 -0.34 -0.01 0.66 0.00 -0.73 -1.33 107.32 103.56 1tcr s GLY 179 Ca 0.44 0.24 -0.22 0.00 0.00 0.00 0.00 44.72 45.18 1tcr s GLY 179 CO 0.20 -0.03 0.47 0.00 0.00 0.00 0.00 173.10 173.74 1tcr s ALA 180 N -3.12 -1.21 0.00 3.20 0.00 -0.87 -1.22 121.76 118.53 1tcr s ALA 180 Ca -0.01 0.69 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1tcr s ALA 180 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1tcr s ALA 180 CO -0.07 -0.35 -0.20 0.42 0.00 0.00 0.00 175.76 175.55 1tcr s ILE 181 N -1.58 1.63 0.04 0.00 1.09 -1.26 -1.59 121.20 119.53 1tcr s ILE 181 Ca -0.11 -0.96 0.01 0.00 -1.10 0.00 0.00 60.65 58.50 1tcr s ILE 181 Cb -0.02 -1.37 -0.03 0.00 -1.06 0.00 0.00 42.46 39.98 1tcr s ILE 181 CO 0.05 0.39 -0.06 0.00 -0.10 0.00 0.00 174.94 175.22 1tcr s ALA 182 N -0.56 0.45 0.14 9.38 0.00 -0.56 -1.38 121.76 129.23 1tcr s ALA 182 Ca 0.08 -0.79 -0.24 0.00 0.00 0.00 0.00 51.96 51.01 1tcr s ALA 182 Cb -0.08 0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.22 1tcr s ALA 182 CO -0.00 -0.11 0.63 1.67 0.00 0.00 0.00 175.76 177.95 1tcr s TRP 183 N -1.79 -0.52 -0.02 0.00 -2.14 -0.95 -0.41 118.94 113.12 1tcr s TRP 183 Ca -0.09 0.31 -0.17 0.00 2.66 0.00 0.00 56.10 58.81 1tcr s TRP 183 Cb -0.07 0.56 0.03 0.00 -3.10 0.00 0.00 33.47 30.89 1tcr s TRP 183 CO -0.01 -0.82 0.37 0.45 -2.66 0.00 0.00 176.95 174.27 1tcr s SER 184 N -2.72 -0.26 -0.18 -2.66 0.15 -1.26 -1.50 113.70 105.26 1tcr s SER 184 Ca 0.01 0.18 0.11 0.00 0.70 0.00 0.00 55.95 56.96 1tcr s SER 184 Cb -0.01 0.35 0.63 0.00 -1.71 0.00 0.00 66.02 65.28 1tcr s SER 184 CO -0.12 -0.47 1.46 -0.46 1.20 0.00 0.00 173.24 174.85 1tcr n ASN 185 N 1.23 4.63 -4.86 5.45 6.94 -0.57 -4.96 115.26 123.12 1tcr n ASN 185 Ca -0.21 -2.70 -0.31 0.00 -0.02 0.00 0.00 54.58 51.34 1tcr n ASN 185 Cb 0.56 -0.64 -0.03 0.00 -2.36 0.00 0.00 39.78 37.31 1tcr n ASN 185 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1tcr s GLN 186 N -2.33 3.86 0.23 -3.83 -1.52 -1.26 -5.01 119.66 109.79 1tcr s GLN 186 Ca 0.42 0.77 -0.08 0.00 -1.95 0.00 0.00 55.36 54.52 1tcr s GLN 186 Cb 0.32 -2.21 0.22 0.00 -0.22 0.00 0.00 33.01 31.11 1tcr s GLN 186 CO 0.13 -0.22 1.90 1.15 -0.25 0.00 0.00 175.29 177.99 1tcr h THR 187 N 0.86 1.20 -0.57 -0.19 2.02 -2.02 -3.41 112.91 110.79 1tcr h THR 187 Ca -0.47 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 1tcr h THR 187 Cb 1.19 -0.05 -0.16 0.00 -1.74 0.00 0.00 68.15 67.39 1tcr h THR 187 CO 0.62 0.21 -0.29 -0.55 0.37 0.00 0.00 175.52 175.88 1tcr s SER 188 N -5.96 -0.84 -0.05 4.18 0.15 -1.26 -5.12 113.70 104.79 1tcr s SER 188 Ca -0.13 -0.86 0.06 0.00 0.70 0.00 0.00 55.95 55.72 1tcr s SER 188 Cb 0.17 1.10 -0.01 0.00 -1.71 0.00 0.00 66.02 65.57 1tcr s SER 188 CO 0.80 -0.05 -0.23 -0.36 1.20 0.00 0.00 173.24 174.60 1tcr s PHE 189 N 1.18 2.26 0.50 3.44 0.40 -1.26 -5.15 117.98 119.35 1tcr s PHE 189 Ca 0.24 -0.67 0.09 0.00 -0.60 0.00 0.00 56.93 55.98 1tcr s PHE 189 Cb 0.05 -1.49 0.05 0.00 0.51 0.00 0.00 43.02 42.14 1tcr s PHE 189 CO -0.09 -0.21 0.65 0.95 0.70 0.00 0.00 175.22 177.22 1tcr s THR 190 N -0.11 2.45 -0.33 0.64 -4.23 -1.26 -4.99 115.64 107.81 1tcr s THR 190 Ca -0.04 -1.07 0.27 0.00 -1.18 0.00 0.00 61.69 59.67 1tcr s THR 190 Cb -0.13 -2.52 0.29 0.00 1.34 0.00 0.00 72.50 71.48 1tcr s THR 190 CO 0.03 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.90 1tcr h GLN 192 N 0.00 0.07 0.00 0.00 7.50 -1.94 -3.17 115.11 117.58 1tcr h GLN 192 Ca 0.00 -0.04 -0.37 0.00 0.50 0.00 0.00 58.65 58.74 1tcr h GLN 192 Cb 0.44 0.01 -0.07 0.00 0.05 0.00 0.00 27.48 27.91 1tcr h GLN 192 CO 0.00 0.62 -2.35 -0.40 -1.50 0.00 0.00 178.83 175.20 1tcr n ASP 193 N -3.88 0.24 0.19 1.46 5.75 -1.18 -3.54 116.55 115.59 1tcr n ASP 193 Ca -0.02 0.02 0.04 0.00 -0.01 0.00 0.00 54.79 54.82 1tcr n ASP 193 Cb 0.58 0.80 0.36 0.00 -1.03 0.00 0.00 41.12 41.83 1tcr n ASP 193 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1tcr h ILE 194 N 0.00 1.09 -1.74 2.12 2.10 -1.68 -2.79 117.51 116.62 1tcr h ILE 194 Ca -0.53 -1.42 -0.62 0.00 1.08 0.00 0.00 64.86 63.37 1tcr h ILE 194 Cb 2.20 1.81 -0.40 0.00 -1.09 0.00 0.00 36.82 39.34 1tcr h ILE 194 CO 0.02 0.38 -0.47 0.49 -1.08 0.00 0.00 178.15 177.49 1tcr n PHE 195 N -3.81 3.48 0.24 2.19 3.72 -1.20 -4.85 117.46 117.23 1tcr n PHE 195 Ca -0.01 -3.18 0.11 0.00 -0.05 0.00 0.00 57.45 54.31 1tcr n PHE 195 Cb 0.46 -0.31 0.62 0.00 -0.94 0.00 0.00 39.48 39.31 1tcr n PHE 195 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1tcr h LYS 196 N 2.75 0.00 -2.66 -1.08 3.64 -1.54 -3.32 116.57 114.36 1tcr h LYS 196 Ca 0.30 0.00 -0.77 0.00 -1.27 0.00 0.00 60.65 58.91 1tcr h LYS 196 Cb 0.73 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.36 1tcr h LYS 196 CO 0.92 0.17 1.80 0.39 -2.27 0.00 0.00 179.45 180.46 1tcr n GLU 197 N -3.66 4.71 -0.53 1.90 -0.58 -1.26 -4.93 120.64 116.29 1tcr n GLU 197 Ca -0.01 -3.93 0.00 0.00 -0.42 0.00 0.00 57.16 52.79 1tcr n GLU 197 Cb 0.30 -2.61 0.00 0.00 -0.57 0.00 0.00 31.44 28.56 1tcr n GLU 197 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1tcr n THR 198 N 1.37 0.00 -4.18 2.62 -2.24 -1.25 -4.91 114.28 105.70 1tcr n THR 198 Ca 0.51 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 62.13 1tcr n THR 198 Cb 0.27 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 1tcr n THR 198 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1tcr s ASN 203 N 0.76 0.78 -0.35 3.42 -0.87 -1.26 -5.00 114.94 112.40 1tcr s ASN 203 Ca 0.00 -0.21 -0.00 0.00 -1.57 0.00 0.00 52.86 51.08 1tcr s ASN 203 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.17 1tcr s ASN 203 CO 0.00 0.02 0.33 0.00 -2.57 0.00 0.00 177.10 174.88 1tcr n ALA 204 N 2.60 -1.98 -2.63 0.60 0.00 -1.25 -3.50 120.51 114.35 1tcr n ALA 204 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1tcr n ALA 204 Cb 0.57 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 1tcr n ALA 204 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1tcr s THR 205 N -2.99 3.97 -0.56 0.00 2.01 -1.26 -3.27 115.64 113.54 1tcr s THR 205 Ca 0.00 0.31 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 1tcr s THR 205 Cb -0.00 -4.80 0.07 0.00 0.01 0.00 0.00 72.50 67.78 1tcr s THR 205 CO 0.36 -1.61 0.75 -0.47 -0.69 0.00 0.00 174.62 172.95 1tcr s TYR 206 N 5.07 2.93 0.30 4.92 5.04 -1.19 -4.94 117.35 129.48 1tcr s TYR 206 Ca 0.33 -0.56 -0.29 0.00 -2.44 0.00 0.00 57.07 54.11 1tcr s TYR 206 Cb -0.10 -3.86 -0.10 0.00 0.35 0.00 0.00 41.96 38.25 1tcr s TYR 206 CO 0.16 -1.25 1.15 -1.25 -1.34 0.00 0.00 175.55 173.02 1tcr s PRO 207 N 3.09 4.54 -0.98 4.97 0.04 -1.26 -4.58 135.00 140.81 1tcr s PRO 207 Ca 0.18 1.90 -0.15 0.00 0.04 0.00 0.00 61.00 62.97 1tcr s PRO 207 Cb -0.19 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 1tcr s PRO 207 CO 0.11 0.08 2.10 0.45 0.04 0.00 0.00 177.00 179.79 1tcr n SER 208 N 1.02 3.92 -4.77 6.66 2.88 -1.26 -4.75 113.62 117.31 1tcr n SER 208 Ca -0.00 -2.58 -0.39 0.00 -1.33 0.00 0.00 58.87 54.56 1tcr n SER 208 Cb 0.44 -1.22 -0.06 0.00 -0.75 0.00 0.00 64.21 62.62 1tcr n SER 208 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1tcr s SER 209 N 4.03 7.20 0.03 -3.46 0.01 -1.26 -5.06 113.70 115.19 1tcr s SER 209 Ca 0.51 1.43 0.08 0.00 1.31 0.00 0.00 55.95 59.28 1tcr s SER 209 Cb 0.13 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 1tcr s SER 209 CO 0.03 0.16 -0.21 -0.62 0.41 0.00 0.00 173.24 173.01 1tcr s ASP 210 N -0.71 3.61 -0.04 2.44 2.15 -1.26 -5.12 116.67 117.74 1tcr s ASP 210 Ca 0.34 -0.46 -0.01 0.00 0.43 0.00 0.00 52.55 52.85 1tcr s ASP 210 Cb -0.21 -0.52 0.03 0.00 -0.30 0.00 0.00 42.92 41.92 1tcr s ASP 210 CO 0.22 0.26 0.04 0.68 -0.17 0.00 0.00 175.17 176.20 1tcr s VAL 211 N -0.87 0.02 0.24 1.11 -7.23 -1.26 -5.04 120.40 107.37 1tcr s VAL 211 Ca 0.13 0.29 -0.05 0.00 -1.81 0.00 0.00 61.98 60.54 1tcr s VAL 211 Cb -0.10 -0.21 0.20 0.00 0.56 0.00 0.00 36.38 36.83 1tcr s VAL 211 CO 0.04 0.17 1.81 -0.65 -0.31 0.00 0.00 175.10 176.16 1tcr h PRO 212 N 8.03 0.77 0.00 4.82 0.11 -2.08 -3.57 132.00 140.08 1tcr h PRO 212 Ca -0.24 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1tcr h PRO 212 Cb 1.12 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1tcr h PRO 212 CO 0.28 0.51 0.00 0.00 -0.21 0.00 0.00 178.00 178.58