#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tcr s ALA 2 N 0.00 -2.97 -0.29 0.62 0.00 -1.26 -5.02 121.76 112.83 1tcr s ALA 2 Ca 0.00 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 1tcr s ALA 2 Cb 0.00 -2.73 0.17 0.00 0.00 0.00 0.00 23.12 20.57 1tcr s ALA 2 CO 0.00 -2.11 1.32 0.00 0.00 0.00 0.00 175.76 174.98 1tcr s ALA 3 N 2.39 -2.19 -0.12 0.00 0.00 -1.26 -5.03 121.76 115.55 1tcr s ALA 3 Ca 0.16 1.75 -0.04 0.00 0.00 0.00 0.00 51.96 53.83 1tcr s ALA 3 Cb -0.05 -1.71 0.05 0.00 0.00 0.00 0.00 23.12 21.42 1tcr s ALA 3 CO -0.17 -0.15 0.07 0.08 0.00 0.00 0.00 175.76 175.59 1tcr s VAL 4 N 0.16 -0.02 -0.11 0.00 1.01 -1.26 -1.82 120.40 118.35 1tcr s VAL 4 Ca 0.05 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1tcr s VAL 4 Cb -0.05 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.86 1tcr s VAL 4 CO -0.13 -0.09 -0.21 -0.89 0.00 0.00 0.00 175.10 173.78 1tcr s THR 5 N 2.12 2.31 0.14 3.92 2.01 -0.18 -4.39 115.64 121.58 1tcr s THR 5 Ca 0.03 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.16 1tcr s THR 5 Cb -0.15 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1tcr s THR 5 CO -0.07 0.55 0.08 -1.10 -0.69 0.00 0.00 174.62 173.39 1tcr s GLN 6 N 0.38 2.75 -0.27 4.92 -0.21 -1.26 -1.37 119.66 124.59 1tcr s GLN 6 Ca -0.16 -0.88 -0.23 0.00 0.02 0.00 0.00 55.36 54.11 1tcr s GLN 6 Cb -0.17 -2.59 0.08 0.00 1.00 0.00 0.00 33.01 31.33 1tcr s GLN 6 CO 0.07 0.50 0.76 -1.54 -2.12 0.00 0.00 175.29 172.96 1tcr s SER 7 N -2.84 -0.75 0.76 5.90 1.04 -0.84 -4.41 113.70 112.56 1tcr s SER 7 Ca 0.29 1.38 -0.12 0.00 0.48 0.00 0.00 55.95 57.99 1tcr s SER 7 Cb -0.10 1.38 0.05 0.00 0.10 0.00 0.00 66.02 67.45 1tcr s SER 7 CO 0.21 -0.23 1.13 -2.16 0.98 0.00 0.00 173.24 173.17 1tcr s PRO 8 N 0.64 2.38 0.24 4.02 0.04 -1.26 -0.99 135.00 140.07 1tcr s PRO 8 Ca -0.02 0.34 0.16 0.00 0.04 0.00 0.00 61.00 61.52 1tcr s PRO 8 Cb -0.05 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1tcr s PRO 8 CO -0.04 -1.35 1.33 0.00 0.04 0.00 0.00 177.00 176.97 1tcr h ARG 9 N -0.88 0.00 -4.43 4.56 2.47 -1.84 -3.44 114.38 110.81 1tcr h ARG 9 Ca -0.46 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 57.96 1tcr h ARG 9 Cb 1.29 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.35 1tcr h ARG 9 CO 0.64 0.44 -0.75 -0.80 0.56 0.00 0.00 179.97 180.07 1tcr s ASN 10 N -6.30 0.73 -0.25 7.04 0.01 -1.26 -0.29 114.94 114.63 1tcr s ASN 10 Ca 0.03 -0.30 -0.22 0.00 -0.71 0.00 0.00 52.86 51.66 1tcr s ASN 10 Cb 0.08 -0.02 0.06 0.00 0.41 0.00 0.00 41.25 41.78 1tcr s ASN 10 CO 0.76 -0.05 0.65 -0.75 -1.51 0.00 0.00 177.10 176.19 1tcr s LYS 11 N -0.77 0.75 -0.11 -0.60 2.47 0.37 -4.93 119.74 116.93 1tcr s LYS 11 Ca -0.03 0.92 0.03 0.00 -1.56 0.00 0.00 55.97 55.33 1tcr s LYS 11 Cb -0.06 0.35 0.01 0.00 -1.46 0.00 0.00 37.83 36.67 1tcr s LYS 11 CO 0.00 -0.09 -0.21 0.08 0.16 0.00 0.00 175.35 175.29 1tcr s VAL 12 N 0.43 1.87 0.13 4.02 1.01 -1.26 -1.53 120.40 125.07 1tcr s VAL 12 Ca -0.01 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1tcr s VAL 12 Cb -0.05 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1tcr s VAL 12 CO -0.01 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.49 1tcr s ALA 13 N 0.61 1.41 0.11 5.51 0.00 0.99 -4.97 121.76 125.42 1tcr s ALA 13 Ca -0.13 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1tcr s ALA 13 Cb -0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1tcr s ALA 13 CO 0.04 -0.01 0.20 0.08 0.00 0.00 0.00 175.76 176.07 1tcr s VAL 14 N -2.69 5.03 -0.01 0.00 1.01 -1.26 0.46 120.40 122.93 1tcr s VAL 14 Ca 0.12 -0.70 -0.34 0.00 0.00 0.00 0.00 61.98 61.06 1tcr s VAL 14 Cb -0.01 -3.52 -0.12 0.00 0.00 0.00 0.00 36.38 32.73 1tcr s VAL 14 CO 0.02 0.01 1.81 0.41 0.00 0.00 0.00 175.10 177.34 1tcr n THR 15 N -0.09 0.44 0.00 3.92 -1.04 0.59 -0.59 114.28 117.51 1tcr n THR 15 Ca -0.07 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1tcr n THR 15 Cb 0.53 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1tcr n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1tcr n GLY 16 N 4.16 0.20 3.75 3.41 0.00 0.13 -4.92 105.19 111.90 1tcr n GLY 16 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1tcr n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tcr s GLY 17 N -1.98 1.58 -0.20 -0.02 0.00 0.24 -4.43 107.32 102.52 1tcr s GLY 17 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 44.72 44.24 1tcr s GLY 17 CO 0.00 0.15 0.06 1.25 0.00 0.00 0.00 173.10 174.56 1tcr s LYS 18 N -5.14 3.89 -0.02 2.90 2.47 -1.26 -1.62 119.74 120.96 1tcr s LYS 18 Ca 0.64 -0.39 0.04 0.00 -1.56 0.00 0.00 55.97 54.70 1tcr s LYS 18 Cb -0.16 -3.22 -0.00 0.00 -1.46 0.00 0.00 37.83 32.98 1tcr s LYS 18 CO 0.55 0.17 -0.13 0.08 0.16 0.00 0.00 175.35 176.18 1tcr s VAL 19 N 0.65 1.04 -0.14 4.02 1.01 -0.51 -5.00 120.40 121.47 1tcr s VAL 19 Ca 0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1tcr s VAL 19 Cb -0.13 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1tcr s VAL 19 CO 0.02 0.30 -0.06 -0.89 0.00 0.00 0.00 175.10 174.48 1tcr s THR 20 N -0.06 1.01 -0.21 3.92 2.01 -1.26 -0.26 115.64 120.79 1tcr s THR 20 Ca 0.00 -0.45 -0.10 0.00 0.31 0.00 0.00 61.69 61.45 1tcr s THR 20 Cb -0.08 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 1tcr s THR 20 CO 0.00 0.22 0.15 -0.76 -0.69 0.00 0.00 174.62 173.54 1tcr s LEU 21 N 1.69 4.19 0.13 4.42 1.43 0.26 -4.68 118.68 126.12 1tcr s LEU 21 Ca 0.03 0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 1tcr s LEU 21 Cb -0.14 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1tcr s LEU 21 CO -0.08 0.15 0.03 -0.44 0.23 0.00 0.00 176.35 176.24 1tcr s SER 22 N 0.52 5.09 -0.04 2.29 0.01 -0.16 -1.11 113.70 120.30 1tcr s SER 22 Ca 0.09 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.11 1tcr s SER 22 Cb -0.12 -1.21 0.03 0.00 0.21 0.00 0.00 66.02 64.93 1tcr s SER 22 CO -0.00 0.13 0.08 0.00 0.41 0.00 0.00 173.24 173.85 1tcr s ASN 24 N 0.96 1.13 0.09 0.00 2.20 -0.47 -2.04 114.94 116.81 1tcr s ASN 24 Ca -0.08 -0.17 0.08 0.00 -0.94 0.00 0.00 52.86 51.75 1tcr s ASN 24 Cb -0.11 -0.50 -0.04 0.00 -2.00 0.00 0.00 41.25 38.61 1tcr s ASN 24 CO -0.04 -0.01 -0.18 0.00 -2.94 0.00 0.00 177.10 173.93 1tcr s GLN 25 N 0.71 1.90 -0.49 3.55 -2.07 -0.32 -1.01 119.66 121.94 1tcr s GLN 25 Ca -0.11 -1.10 0.04 0.00 -1.82 0.00 0.00 55.36 52.37 1tcr s GLN 25 Cb -0.14 -2.15 0.41 0.00 -1.09 0.00 0.00 33.01 30.05 1tcr s GLN 25 CO 0.01 0.50 1.19 0.25 -1.32 0.00 0.00 175.29 175.92 1tcr n THR 26 N 1.08 2.53 -0.03 3.63 -2.24 -0.76 -4.57 114.28 113.92 1tcr n THR 26 Ca -0.16 -4.91 0.00 0.00 -2.27 0.00 0.00 64.05 56.71 1tcr n THR 26 Cb 0.52 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1tcr n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1tcr n ASN 27 N -0.47 0.08 0.00 3.42 3.02 -1.26 -4.43 115.26 115.62 1tcr n ASN 27 Ca 0.40 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1tcr n ASN 27 Cb 0.61 0.68 0.00 0.00 -0.61 0.00 0.00 39.78 40.46 1tcr n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1tcr n ASN 28 N -0.68 -1.92 -4.62 6.41 5.15 -1.26 -4.91 115.26 113.43 1tcr n ASN 28 Ca 0.00 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.54 1tcr n ASN 28 Cb 0.01 -2.56 -0.02 0.00 -0.53 0.00 0.00 39.78 36.68 1tcr n ASN 28 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1tcr n HIS 29 N -2.04 1.55 0.13 1.20 8.25 -1.26 -4.87 115.22 118.19 1tcr n HIS 29 Ca 0.00 0.65 -0.01 0.00 -0.26 0.00 0.00 57.72 58.10 1tcr n HIS 29 Cb 0.15 -2.30 0.15 0.00 1.12 0.00 0.00 29.99 29.11 1tcr n HIS 29 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1tcr h ASN 30 N 2.37 0.00 -2.88 0.41 4.21 -1.88 -3.45 115.58 114.35 1tcr h ASN 30 Ca -0.42 0.00 -0.67 0.00 1.21 0.00 0.00 56.30 56.43 1tcr h ASN 30 Cb 1.32 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 38.43 1tcr h ASN 30 CO 0.63 0.63 -0.53 0.20 -1.29 0.00 0.00 177.43 177.07 1tcr s ASN 31 N -6.76 6.00 0.01 5.81 0.01 -1.18 -2.82 114.94 116.01 1tcr s ASN 31 Ca -0.01 0.34 -0.02 0.00 -0.71 0.00 0.00 52.86 52.46 1tcr s ASN 31 Cb 0.12 -1.86 -0.01 0.00 0.41 0.00 0.00 41.25 39.91 1tcr s ASN 31 CO 0.76 0.38 0.03 -0.04 -1.51 0.00 0.00 177.10 176.71 1tcr s MET 32 N -1.12 0.27 0.04 -0.60 -1.94 -0.95 -1.23 119.30 113.77 1tcr s MET 32 Ca 0.16 -0.37 -0.07 0.00 -1.71 0.00 0.00 55.69 53.70 1tcr s MET 32 Cb -0.12 0.10 -0.01 0.00 2.01 0.00 0.00 34.83 36.82 1tcr s MET 32 CO 0.05 -0.05 0.13 0.71 -0.01 0.00 0.00 175.02 175.86 1tcr s TYR 33 N -1.01 0.14 -0.14 -0.03 1.51 0.34 -0.80 117.35 117.36 1tcr s TYR 33 Ca -0.11 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.57 1tcr s TYR 33 Cb -0.07 -0.10 0.01 0.00 -0.11 0.00 0.00 41.96 41.70 1tcr s TYR 33 CO -0.00 -0.38 -0.20 -1.58 -1.11 0.00 0.00 175.55 172.28 1tcr s TRP 34 N -2.50 2.54 0.26 2.71 0.52 -0.80 -1.49 118.94 120.17 1tcr s TRP 34 Ca -0.06 -1.34 0.11 0.00 0.02 0.00 0.00 56.10 54.83 1tcr s TRP 34 Cb -0.02 -1.76 -0.05 0.00 -1.15 0.00 0.00 33.47 30.50 1tcr s TRP 34 CO -0.04 -0.64 -0.19 0.71 0.02 0.00 0.00 176.95 176.81 1tcr s TYR 35 N 1.01 2.16 -0.04 -1.98 1.51 -0.17 -0.99 117.35 118.85 1tcr s TYR 35 Ca -0.03 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.67 1tcr s TYR 35 Cb -0.15 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 1tcr s TYR 35 CO -0.05 0.64 -0.12 -0.98 -1.11 0.00 0.00 175.55 173.92 1tcr s ARG 36 N -3.52 1.42 -0.20 -0.62 1.70 -0.90 -0.87 118.95 115.95 1tcr s ARG 36 Ca 0.28 -0.42 -0.10 0.00 -0.47 0.00 0.00 55.73 55.03 1tcr s ARG 36 Cb -0.04 -1.24 -0.05 0.00 -0.57 0.00 0.00 34.95 33.05 1tcr s ARG 36 CO 0.13 0.12 0.13 -1.14 -1.08 0.00 0.00 175.30 173.46 1tcr s GLN 37 N 0.32 4.16 -0.03 3.89 0.74 -0.36 -1.22 119.66 127.16 1tcr s GLN 37 Ca -0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 55.36 55.09 1tcr s GLN 37 Cb -0.12 -3.40 0.01 0.00 1.10 0.00 0.00 33.01 30.60 1tcr s GLN 37 CO 0.02 0.31 0.07 -0.51 -0.55 0.00 0.00 175.29 174.63 1tcr s ASP 38 N 0.32 -0.06 0.01 6.67 1.01 -0.73 -3.66 116.67 120.23 1tcr s ASP 38 Ca 0.08 0.13 -0.35 0.00 0.71 0.00 0.00 52.55 53.12 1tcr s ASP 38 Cb -0.11 0.12 -0.13 0.00 1.01 0.00 0.00 42.92 43.81 1tcr s ASP 38 CO -0.02 -0.03 1.72 1.07 0.21 0.00 0.00 175.17 178.12 1tcr n THR 39 N 3.13 0.30 -0.18 -1.27 5.66 -1.26 -0.89 114.28 119.77 1tcr n THR 39 Ca -0.13 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1tcr n THR 39 Cb 0.59 -1.64 0.00 0.00 -1.55 0.00 0.00 70.33 67.73 1tcr n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tcr n GLY 40 N 3.89 0.91 0.00 1.09 0.00 -1.26 -4.87 105.19 104.94 1tcr n GLY 40 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1tcr n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1tcr n HIS 41 N -2.00 0.00 -2.84 1.61 -0.00 -0.07 -5.11 115.22 106.81 1tcr n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1tcr n HIS 41 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1tcr n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1tcr n GLY 42 N 0.01 3.13 3.62 -1.41 0.00 -1.12 -4.36 105.19 105.06 1tcr n GLY 42 Ca 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 3.72 -0.11 0.99 1.43 -1.26 -1.77 118.68 121.67 1tcr s LEU 43 Ca 0.00 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1tcr s LEU 43 Cb 0.00 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1tcr s LEU 43 CO 0.00 0.18 -0.18 -0.13 0.23 0.00 0.00 176.35 176.45 1tcr s ARG 44 N 0.30 3.19 0.10 1.70 0.52 -0.35 -4.93 118.95 119.48 1tcr s ARG 44 Ca 0.02 -0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 54.15 1tcr s ARG 44 Cb -0.13 -2.47 -0.07 0.00 0.52 0.00 0.00 34.95 32.80 1tcr s ARG 44 CO 0.01 0.22 1.30 -1.17 0.02 0.00 0.00 175.30 175.68 1tcr s LEU 45 N 0.29 4.38 -0.23 2.53 2.96 -1.26 -2.13 118.68 125.21 1tcr s LEU 45 Ca -0.13 2.20 -0.16 0.00 -0.22 0.00 0.00 54.13 55.83 1tcr s LEU 45 Cb -0.16 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.84 1tcr s LEU 45 CO 0.07 -0.56 -0.30 -0.38 -1.32 0.00 0.00 176.35 173.85 1tcr n ILE 46 N 3.82 1.51 -3.89 6.68 5.41 -0.16 -1.08 119.36 131.66 1tcr n ILE 46 Ca 0.10 -0.15 -0.09 0.00 1.00 0.00 0.00 62.75 63.61 1tcr n ILE 46 Cb 0.44 -2.08 -0.06 0.00 -0.71 0.00 0.00 39.64 37.23 1tcr n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1tcr s HIS 47 N -2.62 0.21 0.27 1.39 3.76 -1.22 0.50 115.29 117.56 1tcr s HIS 47 Ca -0.33 -0.57 -0.21 0.00 -0.15 0.00 0.00 55.06 53.80 1tcr s HIS 47 Cb 0.10 0.14 0.04 0.00 1.11 0.00 0.00 32.58 33.96 1tcr s HIS 47 CO 0.46 -0.83 0.79 1.52 -0.85 0.00 0.00 174.74 175.83 1tcr s TYR 48 N -3.94 -0.13 -0.05 1.40 1.13 -0.32 -1.91 117.35 113.54 1tcr s TYR 48 Ca 0.15 -0.33 -0.05 0.00 -1.41 0.00 0.00 57.07 55.43 1tcr s TYR 48 Cb 0.01 0.71 0.01 0.00 -1.10 0.00 0.00 41.96 41.60 1tcr s TYR 48 CO 0.00 -1.19 0.14 0.45 -2.51 0.00 0.00 175.55 172.44 1tcr s SER 49 N -2.96 -0.12 0.00 -0.18 0.15 0.02 -0.58 113.70 110.02 1tcr s SER 49 Ca 0.12 0.22 0.24 0.00 0.70 0.00 0.00 55.95 57.23 1tcr s SER 49 Cb -0.05 0.28 0.25 0.00 -1.71 0.00 0.00 66.02 64.78 1tcr s SER 49 CO 0.07 -0.09 1.24 -1.22 1.20 0.00 0.00 173.24 174.44 1tcr n TYR 50 N 2.82 0.00 0.00 3.44 4.01 -1.26 -2.23 117.16 123.94 1tcr n TYR 50 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1tcr n TYR 50 Cb 0.59 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1tcr n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tcr n GLY 51 N 1.41 1.54 3.59 2.72 0.00 -1.13 -4.48 105.19 108.84 1tcr n GLY 51 Ca 0.09 -0.38 -0.56 0.00 0.00 0.00 0.00 46.02 45.17 1tcr n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tcr n ALA 52 N -0.24 -1.71 0.00 4.61 0.00 -1.26 -1.00 120.51 120.91 1tcr n ALA 52 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1tcr n ALA 52 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1tcr n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tcr n GLY 53 N 2.52 3.03 3.56 0.00 0.00 -0.81 -4.98 105.19 108.50 1tcr n GLY 53 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1tcr n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tcr s SER 54 N 0.23 4.30 -0.02 1.61 1.04 -0.17 -4.90 113.70 115.78 1tcr s SER 54 Ca 0.00 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.03 1tcr s SER 54 Cb 0.00 -0.78 0.00 0.00 0.10 0.00 0.00 66.02 65.34 1tcr s SER 54 CO 0.00 0.18 -0.08 0.28 0.98 0.00 0.00 173.24 174.60 1tcr s THR 55 N -1.20 0.67 -0.07 2.02 -1.32 -1.26 -4.46 115.64 110.03 1tcr s THR 55 Ca 0.21 -0.30 0.04 0.00 -1.21 0.00 0.00 61.69 60.43 1tcr s THR 55 Cb -0.11 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 1tcr s THR 55 CO 0.13 0.22 -0.19 -1.61 -2.21 0.00 0.00 174.62 170.96 1tcr s GLU 56 N 0.23 2.20 0.45 7.08 0.41 0.25 -5.02 118.70 124.30 1tcr s GLU 56 Ca -0.03 -0.68 -0.23 0.00 -0.41 0.00 0.00 54.97 53.62 1tcr s GLU 56 Cb -0.08 -1.80 -0.08 0.00 -1.78 0.00 0.00 34.13 30.39 1tcr s GLU 56 CO 0.00 0.20 1.14 0.15 -0.49 0.00 0.00 175.26 176.26 1tcr s LYS 57 N 0.23 3.84 0.00 1.61 1.02 -1.26 -1.17 119.74 124.00 1tcr s LYS 57 Ca -0.10 1.71 0.00 0.00 0.02 0.00 0.00 55.97 57.59 1tcr s LYS 57 Cb -0.15 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1tcr s LYS 57 CO 0.05 -0.47 0.00 0.41 -0.92 0.00 0.00 175.35 174.42 1tcr n GLY 58 N 0.40 1.64 0.09 -3.33 0.00 0.18 -4.76 105.19 99.41 1tcr n GLY 58 Ca 0.07 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1tcr n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1tcr h ASP 59 N 0.00 0.27 -2.16 1.61 3.32 -1.27 -3.37 116.42 114.82 1tcr h ASP 59 Ca 0.00 -0.28 -0.57 0.00 0.02 0.00 0.00 57.03 56.20 1tcr h ASP 59 Cb 0.00 -0.09 -0.41 0.00 0.22 0.00 0.00 39.33 39.05 1tcr h ASP 59 CO 0.00 1.20 -0.80 2.30 -1.72 0.00 0.00 179.24 180.22 1tcr n ILE 60 N -3.49 1.70 1.42 0.35 -5.35 -1.04 -4.92 119.36 108.04 1tcr n ILE 60 Ca -0.05 -5.06 0.13 0.00 -0.27 0.00 0.00 62.75 57.51 1tcr n ILE 60 Cb 0.97 -1.50 0.73 0.00 -1.74 0.00 0.00 39.64 38.10 1tcr n ILE 60 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1tcr n PRO 61 N 0.44 0.54 -2.27 6.28 -0.04 -1.24 -4.75 135.00 133.96 1tcr n PRO 61 Ca 0.28 0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 63.35 1tcr n PRO 61 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1tcr n PRO 61 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tcr s ASP 62 N -2.39 6.96 0.00 3.54 1.11 -1.26 -2.77 116.67 121.85 1tcr s ASP 62 Ca 0.31 2.34 0.00 0.00 0.18 0.00 0.00 52.55 55.38 1tcr s ASP 62 Cb 0.18 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.57 1tcr s ASP 62 CO 0.38 -0.48 0.00 0.61 1.18 0.00 0.00 175.17 176.86 1tcr n GLY 63 N 2.36 2.12 3.29 0.21 0.00 -1.26 -5.03 105.19 106.87 1tcr n GLY 63 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1tcr n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tcr s TYR 65 N -2.33 1.88 0.10 1.61 2.02 -1.12 -4.18 117.35 115.34 1tcr s TYR 65 Ca 0.00 -0.40 0.10 0.00 -0.37 0.00 0.00 57.07 56.40 1tcr s TYR 65 Cb 0.00 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1tcr s TYR 65 CO 0.00 0.17 -0.25 0.15 -1.57 0.00 0.00 175.55 174.05 1tcr s LYS 66 N -1.59 1.40 0.22 -0.62 1.02 -0.48 -4.95 119.74 114.74 1tcr s LYS 66 Ca 0.08 -1.22 0.08 0.00 0.02 0.00 0.00 55.97 54.93 1tcr s LYS 66 Cb -0.10 -1.75 -0.05 0.00 -0.52 0.00 0.00 37.83 35.42 1tcr s LYS 66 CO 0.03 0.42 -0.13 0.00 -0.92 0.00 0.00 175.35 174.75 1tcr s ALA 67 N -1.02 2.14 -0.28 5.17 0.00 -1.26 0.14 121.76 126.64 1tcr s ALA 67 Ca 0.11 -1.72 -0.05 0.00 0.00 0.00 0.00 51.96 50.30 1tcr s ALA 67 Cb -0.10 -0.05 0.15 0.00 0.00 0.00 0.00 23.12 23.12 1tcr s ALA 67 CO 0.04 0.06 0.58 0.45 0.00 0.00 0.00 175.76 176.89 1tcr s SER 68 N -3.35 -1.00 -0.62 0.00 0.15 -0.62 -4.97 113.70 103.29 1tcr s SER 68 Ca 0.24 1.11 -0.12 0.00 0.70 0.00 0.00 55.95 57.89 1tcr s SER 68 Cb -0.00 2.03 0.16 0.00 -1.71 0.00 0.00 66.02 66.49 1tcr s SER 68 CO 0.08 -0.24 0.53 -0.60 1.20 0.00 0.00 173.24 174.21 1tcr s ARG 69 N 2.82 2.97 0.17 5.44 6.06 -1.26 -1.60 118.95 133.55 1tcr s ARG 69 Ca 0.07 -2.07 -0.05 0.00 -2.50 0.00 0.00 55.73 51.19 1tcr s ARG 69 Cb -0.13 -4.15 0.05 0.00 0.06 0.00 0.00 34.95 30.77 1tcr s ARG 69 CO -0.19 -1.26 1.46 -1.00 -2.50 0.00 0.00 175.30 171.81 1tcr h PRO 70 N 8.17 0.58 0.00 5.12 0.13 -1.96 -2.15 132.00 141.89 1tcr h PRO 70 Ca -0.11 -0.40 -0.16 0.00 -0.87 0.00 0.00 66.00 64.46 1tcr h PRO 70 Cb 1.05 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1tcr h PRO 70 CO 0.86 1.02 -0.12 -1.13 -0.23 0.00 0.00 178.00 178.39 1tcr n SER 71 N -3.93 -0.49 -0.26 1.44 3.41 -1.26 -4.56 113.62 107.98 1tcr n SER 71 Ca -0.04 -1.89 -0.06 0.00 -0.26 0.00 0.00 58.87 56.62 1tcr n SER 71 Cb 0.65 0.97 0.07 0.00 -0.26 0.00 0.00 64.21 65.63 1tcr n SER 71 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1tcr h GLN 72 N 0.00 1.13 -0.26 4.33 5.75 -1.93 -3.19 115.11 120.93 1tcr h GLN 72 Ca -0.11 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 1tcr h GLN 72 Cb 0.52 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1tcr h GLN 72 CO 0.16 0.97 0.00 -0.85 -2.65 0.00 0.00 178.83 176.46 1tcr n GLU 73 N -4.25 2.25 -5.06 1.69 0.00 -1.26 -4.83 120.64 109.18 1tcr n GLU 73 Ca 0.06 -1.87 -0.30 0.00 0.00 0.00 0.00 57.16 55.05 1tcr n GLU 73 Cb 0.24 -1.47 -0.17 0.00 0.00 0.00 0.00 31.44 30.03 1tcr n GLU 73 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1tcr s ASN 74 N -1.60 2.73 -0.11 -1.84 -0.87 -1.21 -1.18 114.94 110.86 1tcr s ASN 74 Ca 0.35 -0.48 -0.03 0.00 -1.57 0.00 0.00 52.86 51.13 1tcr s ASN 74 Cb 0.21 -1.14 0.05 0.00 -0.02 0.00 0.00 41.25 40.35 1tcr s ASN 74 CO 0.30 0.14 0.12 0.12 -2.57 0.00 0.00 177.10 175.22 1tcr s PHE 75 N 0.31 -0.04 0.04 2.20 5.36 -0.87 -3.42 117.98 121.56 1tcr s PHE 75 Ca -0.15 0.24 0.06 0.00 -0.96 0.00 0.00 56.93 56.12 1tcr s PHE 75 Cb -0.16 -0.44 -0.03 0.00 -0.34 0.00 0.00 43.02 42.04 1tcr s PHE 75 CO 0.07 -0.35 -0.12 -1.12 -1.46 0.00 0.00 175.22 172.23 1tcr s SER 76 N 2.23 4.22 -0.15 6.13 0.01 -0.63 -2.23 113.70 123.29 1tcr s SER 76 Ca 0.04 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 1tcr s SER 76 Cb -0.13 -0.83 -0.01 0.00 0.21 0.00 0.00 66.02 65.25 1tcr s SER 76 CO -0.07 0.25 -0.11 -0.22 0.41 0.00 0.00 173.24 173.51 1tcr s LEU 77 N -1.56 2.80 -0.26 2.44 2.96 -0.27 -1.59 118.68 123.21 1tcr s LEU 77 Ca 0.17 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 1tcr s LEU 77 Cb -0.11 -1.65 0.06 0.00 0.50 0.00 0.00 46.19 45.00 1tcr s LEU 77 CO 0.08 0.14 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.52 1tcr s ILE 78 N 0.52 2.14 -0.56 6.68 1.01 0.12 -0.58 121.20 130.54 1tcr s ILE 78 Ca -0.07 -1.67 -0.19 0.00 0.00 0.00 0.00 60.65 58.71 1tcr s ILE 78 Cb -0.15 -2.28 0.08 0.00 0.01 0.00 0.00 42.46 40.11 1tcr s ILE 78 CO 0.04 -0.08 0.69 -0.76 0.00 0.00 0.00 174.94 174.83 1tcr s LEU 79 N 1.10 5.11 0.08 2.97 1.43 0.64 -1.38 118.68 128.62 1tcr s LEU 79 Ca -0.07 -1.15 -0.31 0.00 -1.03 0.00 0.00 54.13 51.57 1tcr s LEU 79 Cb -0.20 -2.38 -0.17 0.00 0.03 0.00 0.00 46.19 43.47 1tcr s LEU 79 CO -0.05 -1.04 1.64 -0.33 0.23 0.00 0.00 176.35 176.80 1tcr h GLU 80 N 9.13 -0.68 -3.78 1.70 4.39 -1.82 -1.34 114.58 122.18 1tcr h GLU 80 Ca -0.28 0.05 -0.63 0.00 0.34 0.00 0.00 59.36 58.83 1tcr h GLU 80 Cb 1.09 0.16 -0.40 0.00 -0.10 0.00 0.00 28.75 29.49 1tcr h GLU 80 CO 1.05 -0.46 -0.71 -0.51 -1.16 0.00 0.00 179.01 177.22 1tcr s LEU 81 N -10.12 3.64 0.37 1.33 1.43 -1.26 -4.15 118.68 109.92 1tcr s LEU 81 Ca -0.17 -2.32 -0.28 0.00 -1.03 0.00 0.00 54.13 50.33 1tcr s LEU 81 Cb 0.04 -1.33 -0.11 0.00 0.03 0.00 0.00 46.19 44.83 1tcr s LEU 81 CO 0.63 -0.33 1.48 0.00 0.23 0.00 0.00 176.35 178.36 1tcr s ALA 82 N 0.69 3.58 0.06 4.21 0.00 -0.64 -4.70 121.76 124.97 1tcr s ALA 82 Ca 0.13 1.55 0.05 0.00 0.00 0.00 0.00 51.96 53.69 1tcr s ALA 82 Cb -0.21 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 1tcr s ALA 82 CO -0.08 -1.01 -0.14 0.95 0.00 0.00 0.00 175.76 175.47 1tcr s THR 83 N -1.04 1.07 0.47 0.00 -4.23 -1.26 0.17 115.64 110.82 1tcr s THR 83 Ca 0.53 -1.18 0.27 0.00 -1.18 0.00 0.00 61.69 60.12 1tcr s THR 83 Cb -0.46 -1.02 0.46 0.00 1.34 0.00 0.00 72.50 72.82 1tcr s THR 83 CO 0.61 -0.16 1.79 -0.65 -0.54 0.00 0.00 174.62 175.67 1tcr h PRO 84 N 4.52 0.20 0.00 3.99 0.11 -1.92 0.16 132.00 139.05 1tcr h PRO 84 Ca -0.40 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1tcr h PRO 84 Cb 1.19 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1tcr h PRO 84 CO 0.41 0.13 -0.00 0.66 -0.21 0.00 0.00 178.00 178.99 1tcr h SER 85 N 0.20 0.00 0.25 -2.05 4.64 -1.96 -2.14 113.55 112.49 1tcr h SER 85 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1tcr h SER 85 Cb 1.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 1tcr h SER 85 CO -0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.76 1tcr n GLN 86 N -3.12 0.83 -2.08 4.77 6.02 0.54 -4.79 117.38 119.54 1tcr n GLN 86 Ca -0.02 -0.17 -0.42 0.00 -0.01 0.00 0.00 57.00 56.38 1tcr n GLN 86 Cb 0.13 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 1tcr n GLN 86 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1tcr s THR 87 N -2.29 3.51 0.08 5.09 -4.23 -0.81 -4.82 115.64 112.17 1tcr s THR 87 Ca 0.36 0.83 -0.08 0.00 -1.18 0.00 0.00 61.69 61.62 1tcr s THR 87 Cb 0.21 -3.53 0.03 0.00 1.34 0.00 0.00 72.50 70.54 1tcr s THR 87 CO 0.42 -0.03 0.37 -0.24 -0.54 0.00 0.00 174.62 174.60 1tcr n SER 88 N 6.04 -0.68 -4.24 3.99 2.88 -0.37 -4.98 113.62 116.26 1tcr n SER 88 Ca 0.15 -1.38 -0.35 0.00 -1.33 0.00 0.00 58.87 55.96 1tcr n SER 88 Cb 0.43 1.11 -0.14 0.00 -0.75 0.00 0.00 64.21 64.85 1tcr n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1tcr s VAL 89 N -2.43 3.13 -0.11 2.46 1.01 -1.24 -1.15 120.40 122.07 1tcr s VAL 89 Ca 0.08 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1tcr s VAL 89 Cb -0.01 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1tcr s VAL 89 CO 0.02 0.21 0.23 -0.31 0.00 0.00 0.00 175.10 175.25 1tcr s TYR 90 N 1.38 3.58 -0.05 5.22 1.51 0.28 -1.22 117.35 128.04 1tcr s TYR 90 Ca 0.01 0.62 0.06 0.00 -1.01 0.00 0.00 57.07 56.74 1tcr s TYR 90 Cb -0.16 -2.12 -0.01 0.00 -0.11 0.00 0.00 41.96 39.56 1tcr s TYR 90 CO -0.03 0.56 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.69 1tcr s PHE 91 N -0.57 2.21 0.03 2.71 0.40 -0.05 -0.64 117.98 122.07 1tcr s PHE 91 Ca 0.16 -0.66 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 1tcr s PHE 91 Cb -0.13 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1tcr s PHE 91 CO 0.05 -0.20 -0.03 0.00 0.70 0.00 0.00 175.22 175.74 1tcr s ALA 93 N -1.11 -0.24 0.14 0.00 0.00 -0.56 0.14 121.76 120.13 1tcr s ALA 93 Ca 0.20 -0.30 0.10 0.00 0.00 0.00 0.00 51.96 51.97 1tcr s ALA 93 Cb -0.11 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1tcr s ALA 93 CO 0.11 -0.27 -0.25 -1.54 0.00 0.00 0.00 175.76 173.82 1tcr s SER 94 N -1.74 3.17 -0.14 0.00 1.04 -0.10 -0.50 113.70 115.42 1tcr s SER 94 Ca -0.10 -0.77 -0.20 0.00 0.48 0.00 0.00 55.95 55.36 1tcr s SER 94 Cb -0.05 -0.21 0.05 0.00 0.10 0.00 0.00 66.02 65.91 1tcr s SER 94 CO -0.01 0.13 0.51 -0.83 0.98 0.00 0.00 173.24 174.02 1tcr s GLY 95 N -2.19 -0.38 -1.02 7.32 0.00 -0.36 -0.58 107.32 110.11 1tcr s GLY 95 Ca 0.14 1.26 -0.02 0.00 0.00 0.00 0.00 44.72 46.09 1tcr s GLY 95 CO 0.06 1.03 1.48 0.61 0.00 0.00 0.00 173.10 176.29 1tcr n GLY 96 N 2.25 5.38 4.44 0.20 0.00 -1.25 -3.08 105.19 113.13 1tcr n GLY 96 Ca -0.16 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.20 1tcr n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tcr n GLY 97 N 0.93 1.23 0.00 -0.02 0.00 -1.26 -4.70 105.19 101.37 1tcr n GLY 97 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1tcr n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tcr n GLY 98 N 0.00 0.93 3.75 -0.02 0.00 -1.26 -5.08 105.19 103.52 1tcr n GLY 98 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1tcr n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1tcr s THR 105 N 2.84 2.26 -0.08 2.61 -1.32 -1.26 -5.00 115.64 115.69 1tcr s THR 105 Ca 0.00 0.18 -0.05 0.00 -1.21 0.00 0.00 61.69 60.61 1tcr s THR 105 Cb 0.00 -3.09 -0.04 0.00 -1.51 0.00 0.00 72.50 67.87 1tcr s THR 105 CO 0.00 -0.01 0.13 -0.76 -2.21 0.00 0.00 174.62 171.76 1tcr s LEU 106 N -3.73 4.24 -0.19 9.08 1.43 -1.26 -3.87 118.68 124.37 1tcr s LEU 106 Ca 0.74 0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 54.18 1tcr s LEU 106 Cb -0.37 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1tcr s LEU 106 CO 0.42 0.36 -0.04 -0.31 0.23 0.00 0.00 176.35 177.02 1tcr s TYR 107 N -1.10 2.98 0.33 0.29 1.51 0.26 -4.95 117.35 116.67 1tcr s TYR 107 Ca 0.18 -0.62 0.06 0.00 -1.01 0.00 0.00 57.07 55.69 1tcr s TYR 107 Cb -0.12 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 1tcr s TYR 107 CO 0.08 -0.31 0.47 -0.06 -1.11 0.00 0.00 175.55 174.62 1tcr s PHE 108 N 0.98 3.12 0.28 2.71 0.40 -1.26 -0.93 117.98 123.28 1tcr s PHE 108 Ca 0.00 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1tcr s PHE 108 Cb -0.15 -1.99 0.06 0.00 0.51 0.00 0.00 43.02 41.45 1tcr s PHE 108 CO 0.01 -0.01 0.38 0.41 0.70 0.00 0.00 175.22 176.71 1tcr n GLY 109 N -1.64 0.56 0.09 4.36 0.00 0.12 -4.58 105.19 104.09 1tcr n GLY 109 Ca -0.00 -1.96 0.11 0.00 0.00 0.00 0.00 46.02 44.17 1tcr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tcr n ALA 110 N -2.99 2.71 0.00 4.61 0.00 -1.26 -4.83 120.51 118.73 1tcr n ALA 110 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1tcr n ALA 110 Cb 0.22 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1tcr n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tcr n GLY 111 N 1.23 2.90 2.89 0.00 0.00 -1.26 -5.05 105.19 105.90 1tcr n GLY 111 Ca 0.00 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.94 1tcr n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tcr s THR 112 N -2.39 0.90 -0.24 2.61 2.01 0.19 -4.71 115.64 114.01 1tcr s THR 112 Ca 0.00 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.57 1tcr s THR 112 Cb 0.00 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1tcr s THR 112 CO 0.00 0.34 0.62 -0.13 -0.69 0.00 0.00 174.62 174.76 1tcr s ARG 113 N 1.60 4.14 -0.09 4.92 0.52 0.61 -0.56 118.95 130.09 1tcr s ARG 113 Ca 0.02 0.56 0.03 0.00 -0.52 0.00 0.00 55.73 55.82 1tcr s ARG 113 Cb -0.13 -3.63 0.00 0.00 0.52 0.00 0.00 34.95 31.72 1tcr s ARG 113 CO -0.06 -0.35 -0.20 -1.17 0.02 0.00 0.00 175.30 173.53 1tcr s LEU 114 N 2.31 1.96 -0.11 2.53 2.96 -0.30 -0.48 118.68 127.54 1tcr s LEU 114 Ca 0.27 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1tcr s LEU 114 Cb -0.16 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.30 1tcr s LEU 114 CO 0.09 0.11 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.60 1tcr s SER 115 N 0.49 2.73 -0.28 3.68 0.01 -0.58 -1.24 113.70 118.50 1tcr s SER 115 Ca -0.16 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.59 1tcr s SER 115 Cb -0.17 -1.25 0.05 0.00 0.21 0.00 0.00 66.02 64.86 1tcr s SER 115 CO 0.06 0.07 -0.03 -0.69 0.41 0.00 0.00 173.24 173.06 1tcr s VAL 116 N 0.76 2.80 0.07 3.43 1.01 -1.25 -0.01 120.40 127.22 1tcr s VAL 116 Ca -0.10 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 60.47 1tcr s VAL 116 Cb -0.16 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1tcr s VAL 116 CO 0.01 -0.05 0.26 -0.76 0.00 0.00 0.00 175.10 174.56 1tcr s LEU 116 N 1.23 4.34 0.06 3.92 1.43 0.17 -4.19 118.68 125.64 1tcr s LEU 116 Ca -0.05 0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.52 1tcr s LEU 116 Cb -0.19 -3.00 -0.22 0.00 0.03 0.00 0.00 46.19 42.81 1tcr s LEU 116 CO -0.02 0.15 1.04 -0.08 0.23 0.00 0.00 176.35 177.67 1tcr h GLU 117 N 3.16 0.01 -3.48 1.70 4.57 -1.95 0.17 114.58 118.76 1tcr h GLU 117 Ca -0.46 -0.03 -0.53 0.00 -1.18 0.00 0.00 59.36 57.16 1tcr h GLU 117 Cb 1.17 0.01 -0.40 0.00 -0.16 0.00 0.00 28.75 29.37 1tcr h GLU 117 CO 0.74 0.83 -0.76 0.34 -1.18 0.00 0.00 179.01 178.97 1tcr s ASP 118 N -6.51 3.16 0.54 1.04 2.15 -1.26 -4.75 116.67 111.05 1tcr s ASP 118 Ca -0.02 -1.00 0.25 0.00 0.43 0.00 0.00 52.55 52.21 1tcr s ASP 118 Cb 0.09 -0.62 1.43 0.00 -0.30 0.00 0.00 42.92 43.52 1tcr s ASP 118 CO 0.82 -0.34 2.02 0.25 -0.17 0.00 0.00 175.17 177.76 1tcr h LEU 119 N 8.23 0.00 0.00 -1.34 5.85 -1.94 -2.90 115.31 123.21 1tcr h LEU 119 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1tcr h LEU 119 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1tcr h LEU 119 CO 0.37 0.00 0.00 0.54 -0.34 0.00 0.00 178.44 179.01 1tcr n ARG 120 N -4.25 0.34 0.01 1.25 1.74 -1.26 -2.19 116.66 112.30 1tcr n ARG 120 Ca 0.07 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 1tcr n ARG 120 Cb 0.51 -1.29 0.29 0.00 -1.02 0.00 0.00 32.46 30.94 1tcr n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1tcr n ASN 121 N -0.79 0.46 -4.67 0.55 3.02 -1.10 -4.83 115.26 107.90 1tcr n ASN 121 Ca 0.05 -0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.05 1tcr n ASN 121 Cb 0.02 0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 1tcr n ASN 121 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tcr s VAL 122 N -3.02 3.90 -0.05 2.41 1.01 -0.93 -4.32 120.40 119.41 1tcr s VAL 122 Ca 0.11 1.14 -0.05 0.00 0.00 0.00 0.00 61.98 63.18 1tcr s VAL 122 Cb 0.17 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1tcr s VAL 122 CO 0.68 -0.08 0.13 0.42 0.00 0.00 0.00 175.10 176.25 1tcr s THR 123 N 3.41 0.01 0.83 3.92 -4.23 -1.26 -4.83 115.64 113.48 1tcr s THR 123 Ca 0.64 -0.04 -0.12 0.00 -1.18 0.00 0.00 61.69 60.98 1tcr s THR 123 Cb -0.28 -0.20 0.09 0.00 1.34 0.00 0.00 72.50 73.45 1tcr s THR 123 CO 0.23 -0.02 1.18 -2.84 -0.54 0.00 0.00 174.62 172.63 1tcr s PRO 124 N -0.02 1.77 0.77 3.99 0.02 -1.26 -1.61 135.00 138.66 1tcr s PRO 124 Ca -0.01 0.10 -0.07 0.00 0.02 0.00 0.00 61.00 61.05 1tcr s PRO 124 Cb -0.01 -1.93 0.12 0.00 0.02 0.00 0.00 34.50 32.70 1tcr s PRO 124 CO 0.00 -1.73 1.07 -1.25 -0.33 0.00 0.00 177.00 174.77 1tcr s PRO 125 N -5.56 1.63 -0.21 5.54 0.04 -1.26 -4.11 135.00 131.07 1tcr s PRO 125 Ca 0.63 -0.62 0.02 0.00 0.04 0.00 0.00 61.00 61.07 1tcr s PRO 125 Cb -0.11 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.31 1tcr s PRO 125 CO 0.50 -1.59 -0.16 0.15 0.04 0.00 0.00 177.00 175.94 1tcr s LYS 126 N -5.35 2.60 -0.22 4.56 -0.14 0.21 -4.93 119.74 116.47 1tcr s LYS 126 Ca 0.66 -1.02 -0.07 0.00 -1.36 0.00 0.00 55.97 54.17 1tcr s LYS 126 Cb -0.07 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 1tcr s LYS 126 CO 0.46 -0.37 0.06 0.14 -0.76 0.00 0.00 175.35 174.88 1tcr s VAL 127 N 1.23 4.44 -0.09 3.17 -7.23 -1.26 -1.65 120.40 119.00 1tcr s VAL 127 Ca -0.01 -0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 60.01 1tcr s VAL 127 Cb -0.16 -3.04 -0.03 0.00 0.56 0.00 0.00 36.38 33.72 1tcr s VAL 127 CO -0.09 0.39 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.60 1tcr s SER 128 N 1.07 4.75 -0.36 4.85 0.01 0.05 -4.43 113.70 119.65 1tcr s SER 128 Ca 0.04 -0.03 -0.07 0.00 1.31 0.00 0.00 55.95 57.20 1tcr s SER 128 Cb -0.14 -1.36 0.05 0.00 0.21 0.00 0.00 66.02 64.78 1tcr s SER 128 CO 0.03 0.32 0.15 -0.22 0.41 0.00 0.00 173.24 173.93 1tcr s LEU 129 N -0.55 4.55 -0.02 2.44 2.96 -1.26 -1.32 118.68 125.48 1tcr s LEU 129 Ca 0.08 -1.23 -0.21 0.00 -0.22 0.00 0.00 54.13 52.55 1tcr s LEU 129 Cb -0.12 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1tcr s LEU 129 CO 0.02 -0.38 0.61 -0.36 -1.32 0.00 0.00 176.35 174.92 1tcr s PHE 130 N 1.41 3.66 0.52 5.38 0.40 -0.23 -5.00 117.98 124.11 1tcr s PHE 130 Ca -0.00 1.20 -0.17 0.00 -0.60 0.00 0.00 56.93 57.36 1tcr s PHE 130 Cb -0.20 -2.64 -0.08 0.00 0.51 0.00 0.00 43.02 40.61 1tcr s PHE 130 CO 0.03 0.29 0.99 -1.21 0.70 0.00 0.00 175.22 176.02 1tcr s GLU 131 N 0.03 3.90 0.31 0.44 2.02 -1.26 -2.65 118.70 121.48 1tcr s GLU 131 Ca 0.32 1.00 -0.29 0.00 0.02 0.00 0.00 54.97 56.02 1tcr s GLU 131 Cb -0.18 -2.13 -0.12 0.00 0.10 0.00 0.00 34.13 31.80 1tcr s GLU 131 CO 0.17 -0.32 1.48 -2.30 0.02 0.00 0.00 175.26 174.31 1tcr n PRO 132 N -1.56 2.45 -2.10 0.39 -0.02 -1.24 -4.85 135.00 128.06 1tcr n PRO 132 Ca 0.07 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 62.00 1tcr n PRO 132 Cb 0.54 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 1tcr n PRO 132 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1tcr s SER 133 N 0.17 6.76 0.33 2.55 0.15 -1.26 -4.89 113.70 117.51 1tcr s SER 133 Ca 0.61 2.51 0.07 0.00 0.70 0.00 0.00 55.95 59.84 1tcr s SER 133 Cb -0.54 -2.61 0.59 0.00 -1.71 0.00 0.00 66.02 61.76 1tcr s SER 133 CO 0.55 -0.64 1.81 0.11 1.20 0.00 0.00 173.24 176.26 1tcr h LYS 134 N 5.61 0.30 0.82 5.44 1.57 -1.98 -1.26 116.57 127.08 1tcr h LYS 134 Ca -0.45 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.20 1tcr h LYS 134 Cb 1.21 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.51 1tcr h LYS 134 CO 0.80 0.53 -0.39 0.00 -0.57 0.00 0.00 179.45 179.81 1tcr h ALA 135 N 1.49 -1.29 -0.78 3.86 0.00 -1.99 0.94 119.26 121.50 1tcr h ALA 135 Ca 0.04 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 54.89 1tcr h ALA 135 Cb 0.57 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 1tcr h ALA 135 CO 0.04 -1.21 0.18 1.49 0.00 0.00 0.00 179.25 179.76 1tcr h GLU 136 N -1.11 0.24 -0.52 0.00 4.81 -1.86 -0.40 114.58 115.73 1tcr h GLU 136 Ca -0.11 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1tcr h GLU 136 Cb 0.85 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 1tcr h GLU 136 CO 0.19 0.16 0.29 0.82 -0.73 0.00 0.00 179.01 179.73 1tcr h ILE 137 N 0.25 1.01 0.66 2.32 2.04 -0.82 -0.00 117.51 122.96 1tcr h ILE 137 Ca 0.45 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 1tcr h ILE 137 Cb 0.81 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1tcr h ILE 137 CO -0.56 0.10 -0.32 0.00 0.00 0.00 0.00 178.15 177.38 1tcr h ALA 138 N 1.25 -0.88 -0.13 1.87 0.00 0.86 0.24 119.26 122.47 1tcr h ALA 138 Ca 0.22 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1tcr h ALA 138 Cb 0.08 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1tcr h ALA 138 CO -0.13 -0.95 -0.68 -0.91 0.00 0.00 0.00 179.25 176.58 1tcr h ASN 139 N -0.98 0.62 0.00 0.00 2.35 -1.38 -3.36 115.58 112.84 1tcr h ASN 139 Ca -0.09 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1tcr h ASN 139 Cb 0.70 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1tcr h ASN 139 CO 0.15 1.13 -1.35 0.29 -1.65 0.00 0.00 177.43 176.00 1tcr n LYS 140 N -3.89 1.05 -2.67 0.81 5.02 -0.02 -5.00 118.16 113.45 1tcr n LYS 140 Ca -0.05 -0.09 -0.19 0.00 -2.02 0.00 0.00 58.31 55.96 1tcr n LYS 140 Cb 0.68 -1.30 0.01 0.00 -0.02 0.00 0.00 35.03 34.41 1tcr n LYS 140 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1tcr n GLN 141 N -1.79 -3.06 -4.10 1.97 3.00 0.07 -4.97 117.38 108.49 1tcr n GLN 141 Ca -0.01 0.84 -0.13 0.00 -0.01 0.00 0.00 57.00 57.69 1tcr n GLN 141 Cb 0.34 -5.43 -0.11 0.00 0.00 0.00 0.00 30.24 25.04 1tcr n GLN 141 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1tcr s LYS 142 N -5.27 0.64 -0.17 -1.09 1.02 -1.26 -0.98 119.74 112.62 1tcr s LYS 142 Ca 0.15 -0.90 -0.01 0.00 0.02 0.00 0.00 55.97 55.23 1tcr s LYS 142 Cb -0.07 -0.37 0.05 0.00 -0.52 0.00 0.00 37.83 36.92 1tcr s LYS 142 CO 0.18 0.06 -0.01 0.00 -0.92 0.00 0.00 175.35 174.66 1tcr s ALA 143 N -1.76 1.23 -0.37 5.17 0.00 0.10 -3.39 121.76 122.74 1tcr s ALA 143 Ca -0.05 -0.73 -0.16 0.00 0.00 0.00 0.00 51.96 51.02 1tcr s ALA 143 Cb -0.07 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 21.92 1tcr s ALA 143 CO -0.00 -0.93 0.42 0.99 0.00 0.00 0.00 175.76 176.23 1tcr s THR 144 N 1.75 5.11 -0.19 0.00 2.01 -1.26 -0.37 115.64 122.68 1tcr s THR 144 Ca 0.00 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 1tcr s THR 144 Cb -0.16 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1tcr s THR 144 CO -0.07 -0.21 0.38 -0.76 -0.69 0.00 0.00 174.62 173.26 1tcr s LEU 145 N 2.14 4.18 -0.12 4.42 1.02 0.76 -3.74 118.68 127.34 1tcr s LEU 145 Ca 0.13 0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.81 1tcr s LEU 145 Cb -0.16 -2.49 -0.01 0.00 0.02 0.00 0.00 46.19 43.54 1tcr s LEU 145 CO 0.13 -0.04 -0.14 0.54 0.02 0.00 0.00 176.35 176.86 1tcr s VAL 146 N 1.10 3.01 -0.14 -1.59 0.11 -1.09 -0.98 120.40 120.83 1tcr s VAL 146 Ca 0.19 -0.68 -0.05 0.00 -2.93 0.00 0.00 61.98 58.50 1tcr s VAL 146 Cb -0.14 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 32.42 1tcr s VAL 146 CO 0.07 0.53 0.04 0.00 -3.33 0.00 0.00 175.10 172.42 1tcr s LEU 148 N -0.29 1.19 -0.11 0.00 2.96 -0.44 -0.94 118.68 121.05 1tcr s LEU 148 Ca 0.08 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1tcr s LEU 148 Cb -0.12 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.72 1tcr s LEU 148 CO 0.02 -0.11 -0.05 0.00 -1.32 0.00 0.00 176.35 174.89 1tcr s ALA 149 N 1.64 3.03 0.21 5.97 0.00 -0.14 -0.77 121.76 131.70 1tcr s ALA 149 Ca 0.03 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1tcr s ALA 149 Cb -0.13 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1tcr s ALA 149 CO -0.07 0.42 0.21 1.03 0.00 0.00 0.00 175.76 177.35 1tcr s ARG 150 N -0.32 1.26 -0.98 0.00 0.52 -0.66 -1.74 118.95 117.04 1tcr s ARG 150 Ca 0.05 -1.52 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1tcr s ARG 150 Cb -0.12 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.66 1tcr s ARG 150 CO 0.02 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.31 1tcr n GLY 151 N -0.29 1.05 3.62 -3.53 0.00 -1.03 -0.62 105.19 104.40 1tcr n GLY 151 Ca 0.01 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 1tcr n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tcr s PHE 152 N -2.21 3.26 0.00 1.61 -0.71 -1.23 -4.50 117.98 114.21 1tcr s PHE 152 Ca 0.00 0.25 0.00 0.00 -1.04 0.00 0.00 56.93 56.14 1tcr s PHE 152 Cb 0.00 -2.41 0.00 0.00 -1.21 0.00 0.00 43.02 39.40 1tcr s PHE 152 CO 0.00 -0.10 0.00 0.34 -1.34 0.00 0.00 175.22 174.12 1tcr n PHE 153 N 4.87 0.00 -1.01 3.49 7.35 -0.63 -1.45 117.46 130.07 1tcr n PHE 153 Ca -0.13 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.22 1tcr n PHE 153 Cb 0.52 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.33 1tcr n PHE 153 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1tcr n PRO 154 N 0.00 0.00 -0.53 -7.13 -0.01 -1.26 -4.58 135.00 121.49 1tcr n PRO 154 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 1tcr n PRO 154 Cb 0.00 -0.73 0.20 0.00 -0.01 0.00 0.00 33.50 32.96 1tcr n PRO 154 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 175.50 175.09 1tcr n ASP 155 N 1.48 3.56 -4.56 2.55 5.75 -1.26 -4.74 116.55 119.33 1tcr n ASP 155 Ca 0.13 -2.59 -0.43 0.00 -0.01 0.00 0.00 54.79 51.89 1tcr n ASP 155 Cb 0.19 -0.62 -0.01 0.00 -1.03 0.00 0.00 41.12 39.66 1tcr n ASP 155 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1tcr s HIS 156 N -1.93 2.84 0.15 2.11 3.76 -1.26 -4.93 115.29 116.03 1tcr s HIS 156 Ca 0.30 -1.54 -0.03 0.00 -0.15 0.00 0.00 55.06 53.64 1tcr s HIS 156 Cb 0.24 -4.67 -0.03 0.00 1.11 0.00 0.00 32.58 29.22 1tcr s HIS 156 CO 0.08 -1.77 0.12 0.14 -0.85 0.00 0.00 174.74 172.46 1tcr s VAL 157 N 3.96 0.08 -0.03 -0.90 -7.23 -1.26 -1.74 120.40 113.28 1tcr s VAL 157 Ca 0.50 -1.81 -0.01 0.00 -1.81 0.00 0.00 61.98 58.85 1tcr s VAL 157 Cb 0.02 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.91 1tcr s VAL 157 CO 0.03 -0.35 0.03 -1.61 -0.31 0.00 0.00 175.10 172.88 1tcr s GLU 158 N -4.05 0.08 -0.17 4.82 8.01 -0.97 -4.99 118.70 121.43 1tcr s GLU 158 Ca 0.25 0.21 -0.08 0.00 0.01 0.00 0.00 54.97 55.36 1tcr s GLU 158 Cb 0.06 -0.43 -0.04 0.00 -4.31 0.00 0.00 34.13 29.41 1tcr s GLU 158 CO 0.03 -0.21 0.09 -1.17 0.01 0.00 0.00 175.26 174.01 1tcr s LEU 159 N 1.42 4.02 0.19 1.80 0.20 -1.26 -0.72 118.68 124.34 1tcr s LEU 159 Ca -0.04 0.20 0.04 0.00 0.69 0.00 0.00 54.13 55.02 1tcr s LEU 159 Cb -0.13 -2.01 -0.05 0.00 -0.43 0.00 0.00 46.19 43.57 1tcr s LEU 159 CO -0.03 0.23 -0.05 -0.94 -0.29 0.00 0.00 176.35 175.27 1tcr s SER 160 N 0.04 1.83 -0.02 3.68 1.04 0.14 -4.98 113.70 115.43 1tcr s SER 160 Ca 0.07 -1.12 0.07 0.00 0.48 0.00 0.00 55.95 55.45 1tcr s SER 160 Cb -0.12 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 1tcr s SER 160 CO 0.00 -0.42 -0.22 0.26 0.98 0.00 0.00 173.24 173.85 1tcr s TRP 161 N -3.36 1.96 -0.07 5.02 0.52 -1.26 -0.30 118.94 121.45 1tcr s TRP 161 Ca 0.23 -0.37 -0.00 0.00 0.02 0.00 0.00 56.10 55.97 1tcr s TRP 161 Cb 0.04 -1.26 0.03 0.00 -1.15 0.00 0.00 33.47 31.12 1tcr s TRP 161 CO 0.05 -0.04 -0.02 -1.58 0.02 0.00 0.00 176.95 175.38 1tcr s TRP 162 N -0.50 0.81 -0.24 -1.98 0.52 0.37 -1.53 118.94 116.39 1tcr s TRP 162 Ca 0.08 -0.26 0.01 0.00 0.02 0.00 0.00 56.10 55.95 1tcr s TRP 162 Cb -0.08 -0.82 0.04 0.00 -1.15 0.00 0.00 33.47 31.46 1tcr s TRP 162 CO -0.01 -0.31 -0.11 0.08 0.02 0.00 0.00 176.95 176.62 1tcr s VAL 163 N 1.59 2.42 -1.28 4.03 1.01 -0.37 -0.36 120.40 127.45 1tcr s VAL 163 Ca -0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.68 1tcr s VAL 163 Cb -0.13 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1tcr s VAL 163 CO -0.04 0.18 1.10 0.59 0.00 0.00 0.00 175.10 176.93 1tcr n ASN 164 N 4.57 -4.61 0.00 3.32 3.02 -0.17 -2.44 115.26 118.94 1tcr n ASN 164 Ca -0.17 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1tcr n ASN 164 Cb 0.46 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.61 1tcr n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tcr n GLY 165 N -1.65 2.79 3.66 7.41 0.00 -1.26 -5.01 105.19 111.12 1tcr n GLY 165 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1tcr n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tcr s LYS 166 N 0.00 3.35 0.19 1.61 1.02 -1.02 -5.05 119.74 119.84 1tcr s LYS 166 Ca 0.00 -0.38 -0.31 0.00 0.02 0.00 0.00 55.97 55.30 1tcr s LYS 166 Cb 0.00 -2.94 -0.09 0.00 -0.52 0.00 0.00 37.83 34.28 1tcr s LYS 166 CO 0.00 0.55 1.45 -2.00 -0.92 0.00 0.00 175.35 174.43 1tcr s GLU 167 N -0.43 4.28 -0.10 1.68 2.12 -1.26 -1.23 118.70 123.75 1tcr s GLU 167 Ca 0.08 2.24 -0.02 0.00 0.36 0.00 0.00 54.97 57.63 1tcr s GLU 167 Cb -0.12 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 1tcr s GLU 167 CO 0.02 -0.46 0.01 0.08 -0.54 0.00 0.00 175.26 174.36 1tcr s VAL 168 N 0.60 4.35 0.00 3.70 1.01 -0.58 -4.93 120.40 124.55 1tcr s VAL 168 Ca 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1tcr s VAL 168 Cb -0.41 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1tcr s VAL 168 CO 0.36 0.59 0.00 1.41 0.00 0.00 0.00 175.10 177.46 1tcr n HIS 169 N 2.29 0.00 -1.64 5.22 8.25 -1.26 -4.53 115.22 123.55 1tcr n HIS 169 Ca -0.18 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.83 1tcr n HIS 169 Cb 0.54 0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.75 1tcr n HIS 169 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1tcr n SER 170 N -2.72 2.16 0.00 0.41 2.88 -1.26 -1.91 113.62 113.18 1tcr n SER 170 Ca 0.00 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1tcr n SER 170 Cb 0.34 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1tcr n SER 170 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tcr n GLY 171 N 1.55 1.20 3.90 0.46 0.00 -1.26 -4.92 105.19 106.12 1tcr n GLY 171 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1tcr n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tcr s VAL 172 N -3.34 5.42 -0.30 1.61 -7.23 -0.80 -2.21 120.40 113.55 1tcr s VAL 172 Ca 0.00 -0.19 0.02 0.00 -1.81 0.00 0.00 61.98 60.00 1tcr s VAL 172 Cb 0.00 -3.54 0.16 0.00 0.56 0.00 0.00 36.38 33.55 1tcr s VAL 172 CO 0.00 0.31 0.39 -0.55 -0.31 0.00 0.00 175.10 174.94 1tcr s SER 173 N -1.99 0.67 0.20 4.85 0.15 -0.58 -4.98 113.70 112.02 1tcr s SER 173 Ca 0.28 -0.56 0.06 0.00 0.70 0.00 0.00 55.95 56.42 1tcr s SER 173 Cb -0.13 0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 65.11 1tcr s SER 173 CO 0.19 -0.35 0.19 0.28 1.20 0.00 0.00 173.24 174.76 1tcr s THR 174 N 2.41 4.62 0.27 6.45 -1.32 -1.26 -1.36 115.64 125.45 1tcr s THR 174 Ca 0.10 -1.16 -0.31 0.00 -1.21 0.00 0.00 61.69 59.11 1tcr s THR 174 Cb -0.13 -3.43 -0.12 0.00 -1.51 0.00 0.00 72.50 67.31 1tcr s THR 174 CO -0.28 -0.22 1.63 0.47 -2.21 0.00 0.00 174.62 174.00 1tcr n ASP 175 N -0.79 3.86 0.24 8.08 8.00 -0.60 -4.91 116.55 130.43 1tcr n ASP 175 Ca -0.08 1.12 0.16 0.00 0.71 0.00 0.00 54.79 56.70 1tcr n ASP 175 Cb 0.56 -1.58 0.66 0.00 -0.02 0.00 0.00 41.12 40.74 1tcr n ASP 175 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1tcr h PRO 176 N 5.33 0.00 -3.11 -0.24 0.13 -1.97 -3.44 132.00 128.70 1tcr h PRO 176 Ca -0.46 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1tcr h PRO 176 Cb 1.22 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.06 1tcr h PRO 176 CO 0.84 0.00 -0.49 -1.14 -0.23 0.00 0.00 178.00 176.98 1tcr s GLN 177 N -3.60 0.21 0.37 0.86 2.00 -1.26 -5.14 119.66 113.10 1tcr s GLN 177 Ca 0.02 0.44 -0.26 0.00 -2.00 0.00 0.00 55.36 53.55 1tcr s GLN 177 Cb 0.09 -0.05 -0.09 0.00 0.80 0.00 0.00 33.01 33.76 1tcr s GLN 177 CO 0.48 -0.12 1.16 0.00 -0.50 0.00 0.00 175.29 176.32 1tcr s ALA 178 N 0.90 3.23 0.05 1.58 0.00 -1.26 -4.95 121.76 121.30 1tcr s ALA 178 Ca -0.06 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 1tcr s ALA 178 Cb -0.08 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1tcr s ALA 178 CO -0.05 -0.46 0.22 0.71 0.00 0.00 0.00 175.76 176.18 1tcr s TYR 179 N -1.36 3.53 -0.16 0.00 2.02 -0.60 -4.89 117.35 115.89 1tcr s TYR 179 Ca 0.54 0.32 -0.21 0.00 -0.37 0.00 0.00 57.07 57.36 1tcr s TYR 179 Cb -0.31 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 1tcr s TYR 179 CO 0.40 0.59 0.60 0.21 -1.57 0.00 0.00 175.55 175.79 1tcr s LYS 180 N -2.34 4.27 0.00 -0.62 2.20 -1.26 -0.27 119.74 121.72 1tcr s LYS 180 Ca 0.33 0.61 0.16 0.00 -0.36 0.00 0.00 55.97 56.72 1tcr s LYS 180 Cb -0.13 -3.53 0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1tcr s LYS 180 CO 0.25 -0.11 0.88 -0.85 -0.36 0.00 0.00 175.35 175.15 1tcr n GLU 181 N 4.57 1.64 -3.06 4.03 0.28 0.06 -4.93 120.64 123.23 1tcr n GLU 181 Ca -0.03 -0.89 -0.07 0.00 -0.16 0.00 0.00 57.16 56.02 1tcr n GLU 181 Cb 0.50 -1.28 0.02 0.00 1.43 0.00 0.00 31.44 32.11 1tcr n GLU 181 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1tcr n SER 182 N -0.01 -1.58 0.15 -1.84 2.88 -1.15 -5.01 113.62 107.06 1tcr n SER 182 Ca 0.07 -2.19 0.01 0.00 -1.33 0.00 0.00 58.87 55.43 1tcr n SER 182 Cb 0.35 2.66 0.21 0.00 -0.75 0.00 0.00 64.21 66.68 1tcr n SER 182 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1tcr h ASN 186 N 1.44 0.00 -0.92 -3.46 -1.24 -2.03 -3.30 115.58 106.07 1tcr h ASN 186 Ca -0.24 0.00 -0.41 0.00 0.71 0.00 0.00 56.30 56.37 1tcr h ASN 186 Cb 0.90 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 39.54 1tcr h ASN 186 CO 0.30 0.55 -1.02 -1.22 -1.29 0.00 0.00 177.43 174.75 1tcr n TYR 187 N -3.66 1.91 -3.64 0.67 4.01 -1.26 -5.04 117.16 110.16 1tcr n TYR 187 Ca -0.01 -2.60 -0.08 0.00 -0.16 0.00 0.00 57.90 55.05 1tcr n TYR 187 Cb 0.60 -0.27 -0.07 0.00 -0.31 0.00 0.00 39.34 39.29 1tcr n TYR 187 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1tcr s SER 189 N -3.47 -0.89 0.39 7.72 0.15 -1.24 -4.26 113.70 112.11 1tcr s SER 189 Ca 0.35 1.47 0.08 0.00 0.70 0.00 0.00 55.95 58.55 1tcr s SER 189 Cb 0.40 1.37 -0.05 0.00 -1.71 0.00 0.00 66.02 66.02 1tcr s SER 189 CO -0.03 -0.24 0.14 -0.31 1.20 0.00 0.00 173.24 174.00 1tcr s TYR 190 N 1.39 2.60 0.05 3.44 1.51 -0.53 -0.76 117.35 125.05 1tcr s TYR 190 Ca -0.08 -0.55 -0.05 0.00 -1.01 0.00 0.00 57.07 55.38 1tcr s TYR 190 Cb -0.05 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1tcr s TYR 190 CO -0.16 0.27 0.08 0.00 -1.11 0.00 0.00 175.55 174.63 1tcr s LEU 192 N -2.41 -0.50 0.30 0.00 2.96 -0.71 -1.55 118.68 116.77 1tcr s LEU 192 Ca -0.01 1.11 0.03 0.00 -0.22 0.00 0.00 54.13 55.04 1tcr s LEU 192 Cb 0.02 2.30 -0.05 0.00 0.50 0.00 0.00 46.19 48.95 1tcr s LEU 192 CO -0.07 -0.34 0.09 -0.94 -1.32 0.00 0.00 176.35 173.77 1tcr s SER 193 N -0.14 1.86 -0.09 3.68 1.04 -1.26 -0.97 113.70 117.82 1tcr s SER 193 Ca -0.04 -1.43 -0.31 0.00 0.48 0.00 0.00 55.95 54.66 1tcr s SER 193 Cb -0.03 0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.29 1tcr s SER 193 CO 0.04 -0.72 0.76 -0.55 0.98 0.00 0.00 173.24 173.75 1tcr s SER 194 N -3.42 -0.59 0.10 7.02 0.15 -0.12 -1.56 113.70 115.29 1tcr s SER 194 Ca 0.36 0.67 0.09 0.00 0.70 0.00 0.00 55.95 57.77 1tcr s SER 194 Cb 0.07 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 1tcr s SER 194 CO 0.15 -0.53 -0.21 -0.13 1.20 0.00 0.00 173.24 173.72 1tcr s ARG 195 N -1.10 1.73 -0.26 5.44 0.52 -0.46 -0.64 118.95 124.17 1tcr s ARG 195 Ca -0.08 -1.19 -0.03 0.00 -0.52 0.00 0.00 55.73 53.91 1tcr s ARG 195 Cb -0.00 -2.05 0.09 0.00 0.52 0.00 0.00 34.95 33.50 1tcr s ARG 195 CO 0.07 0.48 0.10 -1.17 0.02 0.00 0.00 175.30 174.81 1tcr s LEU 196 N -1.92 1.07 -0.23 2.53 2.96 -0.15 -1.53 118.68 121.41 1tcr s LEU 196 Ca 0.16 -1.20 -0.11 0.00 -0.22 0.00 0.00 54.13 52.76 1tcr s LEU 196 Cb -0.10 -0.51 -0.05 0.00 0.50 0.00 0.00 46.19 46.02 1tcr s LEU 196 CO 0.07 -0.40 0.17 -0.60 -1.32 0.00 0.00 176.35 174.28 1tcr s ARG 197 N 1.94 4.09 0.43 1.98 6.06 -0.94 -0.17 118.95 132.34 1tcr s ARG 197 Ca 0.06 -0.24 0.03 0.00 -2.50 0.00 0.00 55.73 53.09 1tcr s ARG 197 Cb -0.17 -3.53 -0.03 0.00 0.06 0.00 0.00 34.95 31.29 1tcr s ARG 197 CO -0.25 0.08 0.08 0.14 -2.50 0.00 0.00 175.30 172.85 1tcr s VAL 198 N 1.01 0.87 0.44 7.11 -7.23 0.50 -4.72 120.40 118.38 1tcr s VAL 198 Ca 0.08 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.07 1tcr s VAL 198 Cb -0.13 -2.35 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 1tcr s VAL 198 CO 0.04 0.00 0.92 -0.94 -0.31 0.00 0.00 175.10 174.81 1tcr s SER 199 N -3.69 6.78 0.30 4.85 1.04 -1.26 0.02 113.70 121.74 1tcr s SER 199 Ca 0.20 1.55 0.01 0.00 0.48 0.00 0.00 55.95 58.18 1tcr s SER 199 Cb 0.03 -2.49 0.53 0.00 0.10 0.00 0.00 66.02 64.19 1tcr s SER 199 CO 0.11 -0.41 1.91 0.00 0.98 0.00 0.00 173.24 175.82 1tcr h ALA 200 N 1.59 1.52 -0.39 5.32 0.00 -1.33 -1.76 119.26 124.21 1tcr h ALA 200 Ca -0.48 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1tcr h ALA 200 Cb 1.18 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1tcr h ALA 200 CO 0.62 0.34 0.09 1.15 0.00 0.00 0.00 179.25 181.45 1tcr h THR 201 N 1.03 0.81 -0.55 0.00 2.02 -1.93 -0.58 112.91 113.70 1tcr h THR 201 Ca 0.40 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.44 1tcr h THR 201 Cb 0.22 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1tcr h THR 201 CO -0.15 0.04 0.10 0.15 0.37 0.00 0.00 175.52 176.03 1tcr h PHE 202 N 0.22 0.96 -0.39 3.16 3.57 -1.76 -2.99 116.94 119.71 1tcr h PHE 202 Ca 0.19 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1tcr h PHE 202 Cb 0.22 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1tcr h PHE 202 CO -0.19 0.85 -0.08 2.35 -2.23 0.00 0.00 178.31 179.00 1tcr h TRP 203 N 0.80 0.72 0.00 0.41 2.91 -0.92 -2.86 115.95 117.00 1tcr h TRP 203 Ca 0.17 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1tcr h TRP 203 Cb 0.39 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 1tcr h TRP 203 CO 0.03 0.73 0.00 0.72 -1.03 0.00 0.00 178.44 178.89 1tcr n HIS 204 N -4.19 0.00 -3.38 2.65 8.25 -0.26 -1.61 115.22 116.67 1tcr n HIS 204 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1tcr n HIS 204 Cb 0.33 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.35 1tcr n HIS 204 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1tcr s ASN 205 N -1.77 6.17 0.35 0.41 2.47 -1.08 -3.91 114.94 117.58 1tcr s ASN 205 Ca 0.27 -0.49 0.24 0.00 0.42 0.00 0.00 52.86 53.31 1tcr s ASN 205 Cb 0.13 -2.20 1.29 0.00 -1.45 0.00 0.00 41.25 39.02 1tcr s ASN 205 CO 0.21 -0.44 1.74 -0.65 -3.72 0.00 0.00 177.10 174.24 1tcr h PRO 206 N 8.59 0.00 0.00 0.43 0.11 -1.83 -1.41 132.00 137.88 1tcr h PRO 206 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1tcr h PRO 206 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1tcr h PRO 206 CO 0.73 0.00 -0.38 0.00 -0.21 0.00 0.00 178.00 178.14 1tcr h ARG 207 N 0.00 0.00 -6.21 1.05 3.08 -1.92 -3.41 114.38 106.97 1tcr h ARG 207 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1tcr h ARG 207 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1tcr h ARG 207 CO 0.00 0.00 0.80 -0.80 -1.07 0.00 0.00 179.97 178.90 1tcr s ASN 208 N -5.47 7.01 -0.25 7.04 0.01 -0.53 -4.96 114.94 117.79 1tcr s ASN 208 Ca 0.05 1.71 -0.05 0.00 -0.71 0.00 0.00 52.86 53.87 1tcr s ASN 208 Cb 0.08 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.20 1tcr s ASN 208 CO 0.70 -0.67 -0.00 -2.28 -1.51 0.00 0.00 177.10 173.34 1tcr s HIS 209 N 2.91 3.05 -0.14 2.20 5.65 -1.26 -0.96 115.29 126.74 1tcr s HIS 209 Ca 0.54 -1.03 -0.06 0.00 0.25 0.00 0.00 55.06 54.75 1tcr s HIS 209 Cb -0.22 -2.15 -0.04 0.00 -1.18 0.00 0.00 32.58 28.99 1tcr s HIS 209 CO 0.17 -0.58 0.09 -0.06 -0.65 0.00 0.00 174.74 173.71 1tcr s PHE 210 N 1.46 3.40 -0.08 3.88 0.08 0.79 -1.00 117.98 126.52 1tcr s PHE 210 Ca 0.04 0.33 -0.03 0.00 0.12 0.00 0.00 56.93 57.39 1tcr s PHE 210 Cb -0.16 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.36 1tcr s PHE 210 CO -0.01 0.49 0.16 0.50 -0.10 0.00 0.00 175.22 176.25 1tcr s ARG 211 N -0.48 0.07 -0.38 0.44 3.52 0.51 -0.87 118.95 121.76 1tcr s ARG 211 Ca 0.11 0.46 -0.12 0.00 -0.13 0.00 0.00 55.73 56.05 1tcr s ARG 211 Cb -0.12 -0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.07 1tcr s ARG 211 CO 0.02 -0.23 0.24 0.00 -0.81 0.00 0.00 175.30 174.52 1tcr s GLN 213 N 1.62 3.12 -0.18 0.00 0.74 0.59 -2.15 119.66 123.40 1tcr s GLN 213 Ca 0.04 -0.60 -0.05 0.00 0.05 0.00 0.00 55.36 54.80 1tcr s GLN 213 Cb -0.19 -2.85 0.06 0.00 1.10 0.00 0.00 33.01 31.14 1tcr s GLN 213 CO 0.08 0.58 0.10 0.08 -0.55 0.00 0.00 175.29 175.58 1tcr s VAL 214 N -1.47 -0.11 -0.39 1.34 1.01 -0.40 0.23 120.40 120.61 1tcr s VAL 214 Ca 0.32 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 1tcr s VAL 214 Cb -0.12 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.68 1tcr s VAL 214 CO 0.25 -0.28 0.82 -1.58 0.00 0.00 0.00 175.10 174.31 1tcr s GLN 215 N 2.16 3.69 -0.08 2.72 0.74 0.11 -1.54 119.66 127.44 1tcr s GLN 215 Ca 0.03 0.27 -0.15 0.00 0.05 0.00 0.00 55.36 55.55 1tcr s GLN 215 Cb -0.16 -3.84 -0.05 0.00 1.10 0.00 0.00 33.01 30.06 1tcr s GLN 215 CO -0.10 -0.95 0.38 0.12 -0.55 0.00 0.00 175.29 174.19 1tcr s PHE 216 N 3.26 3.59 -0.31 1.67 5.36 0.07 -2.30 117.98 129.32 1tcr s PHE 216 Ca 0.33 0.83 -0.08 0.00 -0.96 0.00 0.00 56.93 57.05 1tcr s PHE 216 Cb -0.12 -2.36 0.01 0.00 -0.34 0.00 0.00 43.02 40.21 1tcr s PHE 216 CO 0.19 0.40 0.11 -1.01 -1.46 0.00 0.00 175.22 173.46 1tcr s HIS 217 N -0.17 3.17 0.00 10.12 3.76 -0.71 -1.51 115.29 129.95 1tcr s HIS 217 Ca 0.22 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 1tcr s HIS 217 Cb -0.15 -2.30 0.00 0.00 1.11 0.00 0.00 32.58 31.24 1tcr s HIS 217 CO 0.09 -0.57 0.00 0.41 -0.85 0.00 0.00 174.74 173.83 1tcr n GLY 218 N 4.90 5.53 3.74 -2.22 0.00 -1.26 -4.73 105.19 111.15 1tcr n GLY 218 Ca -0.14 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 1tcr n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tcr s LEU 219 N 0.00 3.39 0.45 0.99 1.43 -0.24 -4.37 118.68 120.33 1tcr s LEU 219 Ca 0.00 2.29 -0.03 0.00 -1.03 0.00 0.00 54.13 55.36 1tcr s LEU 219 Cb 0.00 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.60 1tcr s LEU 219 CO 0.00 -2.04 0.72 -0.55 0.23 0.00 0.00 176.35 174.72 1tcr s SER 220 N -2.06 6.23 0.49 2.29 0.15 -1.26 -2.84 113.70 116.69 1tcr s SER 220 Ca 0.73 0.77 0.14 0.00 0.70 0.00 0.00 55.95 58.29 1tcr s SER 220 Cb -0.28 -2.14 1.15 0.00 -1.71 0.00 0.00 66.02 63.04 1tcr s SER 220 CO 0.43 -0.53 2.10 -0.33 1.20 0.00 0.00 173.24 176.11 1tcr h GLU 221 N 0.36 0.08 0.55 5.44 4.39 -2.01 -2.84 114.58 120.55 1tcr h GLU 221 Ca -0.48 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.19 1tcr h GLU 221 Cb 1.21 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1tcr h GLU 221 CO 0.61 0.09 -0.26 0.93 -1.16 0.00 0.00 179.01 179.22 1tcr h GLU 222 N 0.08 -0.71 -5.22 2.33 4.39 -2.04 -3.46 114.58 109.96 1tcr h GLU 222 Ca 0.02 0.05 -0.65 0.00 0.34 0.00 0.00 59.36 59.12 1tcr h GLU 222 Cb 0.06 0.16 0.06 0.00 -0.10 0.00 0.00 28.75 28.93 1tcr h GLU 222 CO 0.00 -0.41 -0.15 -0.25 -1.16 0.00 0.00 179.01 177.04 1tcr n ASP 223 N -5.33 -0.43 -4.75 1.42 8.00 -1.08 -4.95 116.55 109.43 1tcr n ASP 223 Ca -0.12 1.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.98 1tcr n ASP 223 Cb 0.33 -0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 1tcr n ASP 223 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tcr s LYS 224 N -0.34 4.85 -0.26 -1.24 1.02 -1.26 -4.87 119.74 117.63 1tcr s LYS 224 Ca 0.70 1.49 -0.02 0.00 0.02 0.00 0.00 55.97 58.16 1tcr s LYS 224 Cb -0.99 -3.29 0.03 0.00 -0.52 0.00 0.00 37.83 33.07 1tcr s LYS 224 CO 0.49 0.50 -0.04 -0.46 -0.92 0.00 0.00 175.35 174.92 1tcr s TRP 225 N -1.10 3.13 -0.15 3.18 -0.00 -1.26 -5.02 118.94 117.72 1tcr s TRP 225 Ca 0.41 -1.63 -0.05 0.00 -0.00 0.00 0.00 56.10 54.84 1tcr s TRP 225 Cb -0.26 -2.08 -0.13 0.00 -0.00 0.00 0.00 33.47 31.00 1tcr s TRP 225 CO 0.32 -0.75 3.20 -0.35 -0.00 0.00 0.00 176.95 179.37 1tcr n PRO 226 N 4.66 2.05 -3.53 5.86 -0.04 -1.26 -4.86 135.00 137.88 1tcr n PRO 226 Ca -0.15 -1.37 -0.17 0.00 -0.04 0.00 0.00 63.50 61.76 1tcr n PRO 226 Cb 0.46 -1.96 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 1tcr n PRO 226 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1tcr s GLU 227 N -0.01 1.03 -1.42 0.54 2.12 -1.26 -4.99 118.70 114.71 1tcr s GLU 227 Ca 0.59 0.32 -0.10 0.00 0.36 0.00 0.00 54.97 56.14 1tcr s GLU 227 Cb 0.32 0.49 0.06 0.00 0.26 0.00 0.00 34.13 35.26 1tcr s GLU 227 CO -0.07 -0.31 2.35 0.41 -0.54 0.00 0.00 175.26 177.11 1tcr n GLY 228 N 1.06 4.69 3.32 -1.50 0.00 -1.26 -4.84 105.19 106.66 1tcr n GLY 228 Ca -0.18 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 1tcr n GLY 228 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tcr s SER 229 N 1.56 -0.05 0.18 1.61 1.04 -1.26 -5.13 113.70 111.65 1tcr s SER 229 Ca 0.52 -0.61 -0.33 0.00 0.48 0.00 0.00 55.95 56.01 1tcr s SER 229 Cb 0.15 0.44 -0.15 0.00 0.10 0.00 0.00 66.02 66.56 1tcr s SER 229 CO -0.06 -0.86 1.27 -2.65 0.98 0.00 0.00 173.24 171.93 1tcr n PRO 230 N -0.19 1.44 -1.93 4.02 -0.02 -1.26 -4.88 135.00 132.18 1tcr n PRO 230 Ca -0.12 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 1tcr n PRO 230 Cb 0.63 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1tcr n PRO 230 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1tcr s LYS 231 N -0.19 4.18 -1.12 -0.52 2.20 -1.26 -4.85 119.74 118.18 1tcr s LYS 231 Ca 0.74 2.30 -0.20 0.00 -0.36 0.00 0.00 55.97 58.45 1tcr s LYS 231 Cb -0.80 -3.85 -0.06 0.00 -1.51 0.00 0.00 37.83 31.61 1tcr s LYS 231 CO 0.50 -0.81 1.95 -0.35 -0.36 0.00 0.00 175.35 176.28 1tcr n PRO 232 N 6.54 2.09 -1.89 4.03 -0.04 -1.26 -4.91 135.00 139.56 1tcr n PRO 232 Ca 0.17 -2.44 -0.29 0.00 -0.04 0.00 0.00 63.50 60.90 1tcr n PRO 232 Cb 0.42 -3.33 0.09 0.00 -0.04 0.00 0.00 33.50 30.63 1tcr n PRO 232 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1tcr s VAL 233 N 6.32 2.00 0.23 0.52 -7.23 -1.26 -1.07 120.40 119.91 1tcr s VAL 233 Ca 0.58 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.45 1tcr s VAL 233 Cb 0.08 -2.99 -0.10 0.00 0.56 0.00 0.00 36.38 33.93 1tcr s VAL 233 CO 0.08 0.00 1.44 -0.89 -0.31 0.00 0.00 175.10 175.42 1tcr s THR 234 N -3.58 2.70 0.02 5.32 2.01 -1.13 -4.43 115.64 116.55 1tcr s THR 234 Ca 0.62 0.58 -0.28 0.00 0.31 0.00 0.00 61.69 62.91 1tcr s THR 234 Cb -0.11 -3.37 0.10 0.00 0.01 0.00 0.00 72.50 69.13 1tcr s THR 234 CO 0.49 0.09 0.95 0.00 -0.69 0.00 0.00 174.62 175.46 1tcr s GLN 235 N -0.17 0.85 -0.13 4.92 -2.07 -0.57 -4.92 119.66 117.57 1tcr s GLN 235 Ca 0.60 -0.37 -0.10 0.00 -1.82 0.00 0.00 55.36 53.68 1tcr s GLN 235 Cb -0.42 0.35 -0.05 0.00 -1.09 0.00 0.00 33.01 31.81 1tcr s GLN 235 CO 0.41 -0.38 0.19 -0.80 -1.32 0.00 0.00 175.29 173.40 1tcr s ASN 236 N -2.59 6.40 -0.07 12.60 0.01 -1.26 -0.75 114.94 129.27 1tcr s ASN 236 Ca 0.08 0.47 0.01 0.00 -0.71 0.00 0.00 52.86 52.71 1tcr s ASN 236 Cb -0.01 -2.11 0.02 0.00 0.41 0.00 0.00 41.25 39.56 1tcr s ASN 236 CO -0.06 0.29 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.10 1tcr s ILE 237 N -0.41 0.95 0.12 0.60 1.01 -0.59 -4.97 121.20 117.91 1tcr s ILE 237 Ca 0.14 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.51 1tcr s ILE 237 Cb -0.12 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1tcr s ILE 237 CO 0.03 0.33 -0.12 -0.44 0.00 0.00 0.00 174.94 174.74 1tcr s SER 238 N 1.01 1.78 -0.03 3.58 0.01 -1.26 -1.27 113.70 117.51 1tcr s SER 238 Ca -0.09 -0.85 0.04 0.00 1.31 0.00 0.00 55.95 56.37 1tcr s SER 238 Cb -0.15 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.05 1tcr s SER 238 CO -0.00 -0.22 -0.15 0.00 0.41 0.00 0.00 173.24 173.28 1tcr s ALA 239 N -2.46 1.34 0.17 1.44 0.00 -0.92 -4.93 121.76 116.42 1tcr s ALA 239 Ca 0.09 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1tcr s ALA 239 Cb -0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1tcr s ALA 239 CO 0.02 0.26 0.06 -1.83 0.00 0.00 0.00 175.76 174.26 1tcr s GLU 240 N -0.01 1.10 0.18 0.00 -1.05 -1.26 -0.83 118.70 116.83 1tcr s GLU 240 Ca -0.02 -1.55 -0.15 0.00 -0.15 0.00 0.00 54.97 53.11 1tcr s GLU 240 Cb -0.10 0.01 0.02 0.00 -0.44 0.00 0.00 34.13 33.62 1tcr s GLU 240 CO 0.01 -0.25 0.45 0.00 0.95 0.00 0.00 175.26 176.43 1tcr s ALA 241 N -3.90 -0.70 0.10 -0.84 0.00 -0.05 -4.97 121.76 111.41 1tcr s ALA 241 Ca 0.28 -0.37 0.09 0.00 0.00 0.00 0.00 51.96 51.96 1tcr s ALA 241 Cb 0.07 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 1tcr s ALA 241 CO 0.06 -0.75 -0.23 -1.58 0.00 0.00 0.00 175.76 173.26 1tcr s TRP 242 N -3.89 1.99 0.53 0.00 0.51 -1.26 -0.15 118.94 116.67 1tcr s TRP 242 Ca 0.11 -0.40 -0.22 0.00 -2.12 0.00 0.00 56.10 53.47 1tcr s TRP 242 Cb 0.00 -1.10 -0.05 0.00 -0.81 0.00 0.00 33.47 31.51 1tcr s TRP 242 CO -0.03 0.23 1.33 0.20 -0.51 0.00 0.00 176.95 178.18 1tcr s GLY 243 N -1.84 2.87 -0.00 0.98 0.00 -0.14 -4.95 107.32 104.24 1tcr s GLY 243 Ca 0.09 1.28 0.02 0.00 0.00 0.00 0.00 44.72 46.12 1tcr s GLY 243 CO 0.04 1.80 -0.03 0.50 0.00 0.00 0.00 173.10 175.41 1tcr s ARG 244 N -2.86 2.70 0.00 2.90 0.52 -0.63 -3.46 118.95 118.11 1tcr s ARG 244 Ca 0.70 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 1tcr s ARG 244 Cb -0.39 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.48 1tcr s ARG 244 CO 0.46 0.62 0.00 0.00 0.02 0.00 0.00 175.30 176.40 1tcr n ALA 245 N 1.52 0.00 -3.42 2.13 0.00 -1.25 -3.83 120.51 115.65 1tcr n ALA 245 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1tcr n ALA 245 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1tcr n ALA 245 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1tcr s ASP 246 N -1.41 -0.34 0.00 0.00 2.15 -1.26 -4.96 116.67 110.84 1tcr s ASP 246 Ca 0.00 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.61 1tcr s ASP 246 Cb 0.00 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 1tcr s ASP 246 CO 0.00 -1.08 0.00 0.00 -0.17 0.00 0.00 175.17 173.92