#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3v s ILE 2 N 0.00 0.03 -0.25 1.12 1.01 -1.26 -1.52 121.20 120.32 1t3v s ILE 2 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1t3v s ILE 2 Cb 0.00 -0.16 0.07 0.00 0.01 0.00 0.00 42.46 42.38 1t3v s ILE 2 CO 0.00 -0.13 -0.00 -0.63 0.00 0.00 0.00 174.94 174.18 1t3v s ILE 3 N -0.38 1.31 0.37 2.92 1.01 0.82 -0.95 121.20 126.30 1t3v s ILE 3 Ca -0.04 -1.24 -0.17 0.00 0.00 0.00 0.00 60.65 59.20 1t3v s ILE 3 Cb -0.03 -1.72 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 1t3v s ILE 3 CO 0.00 -0.26 0.82 0.00 0.00 0.00 0.00 174.94 175.50 1t3v s ALA 4 N 1.47 3.22 -0.08 9.38 0.00 -0.31 -0.38 121.76 135.06 1t3v s ALA 4 Ca -0.01 0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.09 1t3v s ALA 4 Cb -0.18 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.07 1t3v s ALA 4 CO -0.10 0.24 0.14 0.42 0.00 0.00 0.00 175.76 176.47 1t3v s ILE 5 N -2.08 -0.23 -0.06 0.00 1.01 -0.16 -0.50 121.20 119.18 1t3v s ILE 5 Ca 0.57 0.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.29 1t3v s ILE 5 Cb -0.10 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 1t3v s ILE 5 CO 0.16 0.15 1.36 -2.16 0.00 0.00 0.00 174.94 174.46 1t3v s PRO 6 N 2.27 4.27 0.23 2.79 0.04 -1.26 -0.70 135.00 142.64 1t3v s PRO 6 Ca 0.03 1.87 0.11 0.00 0.04 0.00 0.00 61.00 63.05 1t3v s PRO 6 Cb -0.12 -3.68 -0.05 0.00 0.04 0.00 0.00 34.50 30.70 1t3v s PRO 6 CO -0.05 -0.62 -0.18 0.14 0.04 0.00 0.00 177.00 176.32 1t3v s VAL 7 N 2.87 2.62 -0.33 -0.36 -7.23 -1.02 -0.57 120.40 116.37 1t3v s VAL 7 Ca 0.61 -2.11 0.21 0.00 -1.81 0.00 0.00 61.98 58.88 1t3v s VAL 7 Cb -0.28 -2.32 0.21 0.00 0.56 0.00 0.00 36.38 34.55 1t3v s VAL 7 CO 0.23 -0.24 1.46 0.28 -0.31 0.00 0.00 175.10 176.52 1t3v h SER 8 N 2.70 0.00 -5.25 4.85 0.02 -1.49 -3.22 113.55 111.16 1t3v h SER 8 Ca -0.44 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.39 1t3v h SER 8 Cb 1.23 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.63 1t3v h SER 8 CO 0.54 0.15 -0.55 -1.61 -1.14 0.00 0.00 176.83 174.22 1t3v s GLU 9 N -3.16 0.78 -0.66 3.45 2.02 -1.26 -4.78 118.70 115.10 1t3v s GLU 9 Ca 0.05 -1.17 -0.20 0.00 0.02 0.00 0.00 54.97 53.66 1t3v s GLU 9 Cb 0.06 0.27 0.10 0.00 0.10 0.00 0.00 34.13 34.66 1t3v s GLU 9 CO 0.71 -0.21 0.85 0.54 0.02 0.00 0.00 175.26 177.17 1t3v s ASN 10 N -2.93 6.24 -0.24 -0.19 2.20 -1.26 -4.57 114.94 114.20 1t3v s ASN 10 Ca 0.10 -1.38 0.23 0.00 -0.94 0.00 0.00 52.86 50.87 1t3v s ASN 10 Cb 0.07 -2.35 0.50 0.00 -2.00 0.00 0.00 41.25 37.47 1t3v s ASN 10 CO -0.07 -1.21 1.11 0.54 -2.94 0.00 0.00 177.10 174.53 1t3v n ARG 11 N 6.78 1.59 0.00 3.55 1.74 -1.26 -4.96 116.66 124.10 1t3v n ARG 11 Ca -0.03 -3.39 0.00 0.00 -0.77 0.00 0.00 57.85 53.66 1t3v n ARG 11 Cb 0.44 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1t3v n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t3v n GLY 12 N -0.51 2.19 0.23 -0.13 0.00 -1.26 -0.51 105.19 105.20 1t3v n GLY 12 Ca 0.07 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1t3v n GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1t3v h LYS 13 N 0.00 0.00 -0.01 1.61 -0.00 -1.99 -1.35 116.57 114.82 1t3v h LYS 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1t3v h LYS 13 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1t3v h LYS 13 CO 0.00 0.00 -0.17 -0.25 -0.00 0.00 0.00 179.45 179.03 1t3v n ASP 14 N -2.47 1.59 -4.68 7.07 8.00 0.33 -1.21 116.55 125.18 1t3v n ASP 14 Ca -0.02 -1.33 -0.53 0.00 0.71 0.00 0.00 54.79 53.62 1t3v n ASP 14 Cb 0.18 0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.35 1t3v n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1t3v n SER 15 N -0.03 2.62 -4.72 -2.24 7.64 -0.51 -4.66 113.62 111.72 1t3v n SER 15 Ca 0.14 1.05 -0.42 0.00 1.01 0.00 0.00 58.87 60.66 1t3v n SER 15 Cb 0.40 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 1t3v n SER 15 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1t3v s PRO 16 N 2.99 4.45 0.38 1.43 0.04 -1.26 -1.01 135.00 142.02 1t3v s PRO 16 Ca 0.93 1.79 -0.28 0.00 0.04 0.00 0.00 61.00 63.48 1t3v s PRO 16 Cb -0.92 -3.33 -0.11 0.00 0.04 0.00 0.00 34.50 30.19 1t3v s PRO 16 CO 0.57 -0.22 1.46 1.51 0.04 0.00 0.00 177.00 180.36 1t3v n ILE 17 N 3.65 2.03 -2.17 0.56 3.06 -0.32 -1.49 119.36 124.68 1t3v n ILE 17 Ca 0.08 -0.50 -0.27 0.00 -2.50 0.00 0.00 62.75 59.56 1t3v n ILE 17 Cb 0.46 -1.93 0.13 0.00 0.54 0.00 0.00 39.64 38.84 1t3v n ILE 17 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1t3v s SER 18 N -0.16 3.95 0.15 9.51 0.15 0.26 -4.51 113.70 123.04 1t3v s SER 18 Ca 0.54 0.18 0.21 0.00 0.70 0.00 0.00 55.95 57.57 1t3v s SER 18 Cb -0.48 -0.48 -0.06 0.00 -1.71 0.00 0.00 66.02 63.28 1t3v s SER 18 CO 0.63 -2.17 0.94 -0.62 1.20 0.00 0.00 173.24 173.23 1t3v n GLU 19 N -3.28 0.61 -3.29 5.44 4.71 -1.26 -4.54 120.64 119.03 1t3v n GLU 19 Ca 0.13 0.13 -0.14 0.00 -0.01 0.00 0.00 57.16 57.28 1t3v n GLU 19 Cb 0.60 -1.80 -0.04 0.00 -1.01 0.00 0.00 31.44 29.19 1t3v n GLU 19 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1t3v n HIS 20 N -2.71 0.06 0.00 -0.32 8.25 -1.26 0.05 115.22 119.28 1t3v n HIS 20 Ca -0.03 -1.42 0.00 0.00 -0.26 0.00 0.00 57.72 56.01 1t3v n HIS 20 Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 1t3v n HIS 20 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1t3v n PHE 21 N -0.49 0.00 0.32 4.41 7.35 -1.26 -4.63 117.46 123.16 1t3v n PHE 21 Ca -0.03 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.87 1t3v n PHE 21 Cb 0.33 0.01 1.09 0.00 0.35 0.00 0.00 39.48 41.26 1t3v n PHE 21 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1t3v h GLY 22 N 0.00 0.00 -4.62 7.13 0.00 -1.96 -0.76 103.07 102.86 1t3v h GLY 22 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1t3v h GLY 22 CO 0.00 0.00 -1.02 -0.96 0.00 0.00 0.00 176.54 174.56 1t3v n ARG 23 N -3.04 1.97 -2.28 4.80 -4.01 -1.26 -4.88 116.66 107.95 1t3v n ARG 23 Ca -0.02 -3.49 -0.42 0.00 -1.04 0.00 0.00 57.85 52.88 1t3v n ARG 23 Cb 0.11 -1.59 -0.03 0.00 -3.04 0.00 0.00 32.46 27.91 1t3v n ARG 23 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1t3v s ALA 24 N -3.33 3.51 0.27 2.89 0.00 -0.29 -4.89 121.76 119.91 1t3v s ALA 24 Ca 0.34 0.97 0.33 0.00 0.00 0.00 0.00 51.96 53.59 1t3v s ALA 24 Cb 0.35 -3.51 1.49 0.00 0.00 0.00 0.00 23.12 21.45 1t3v s ALA 24 CO -0.04 -0.59 2.04 -1.00 0.00 0.00 0.00 175.76 176.18 1t3v h PRO 25 N 6.96 0.00 -4.02 0.00 0.13 -1.86 -3.43 132.00 129.78 1t3v h PRO 25 Ca -0.41 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.60 1t3v h PRO 25 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1t3v h PRO 25 CO 0.85 0.06 -0.42 0.71 -0.23 0.00 0.00 178.00 178.97 1t3v s TYR 26 N -3.86 0.48 -0.26 1.56 1.51 -1.22 -1.08 117.35 114.49 1t3v s TYR 26 Ca -0.01 -0.87 -0.02 0.00 -1.01 0.00 0.00 57.07 55.16 1t3v s TYR 26 Cb 0.11 -0.17 0.08 0.00 -0.11 0.00 0.00 41.96 41.87 1t3v s TYR 26 CO 0.55 -0.63 0.08 -0.06 -1.11 0.00 0.00 175.55 174.37 1t3v s PHE 27 N -3.97 1.23 -0.99 2.71 0.08 -0.67 -2.44 117.98 113.94 1t3v s PHE 27 Ca 0.17 -1.26 -0.23 0.00 0.12 0.00 0.00 56.93 55.72 1t3v s PHE 27 Cb 0.05 -1.32 0.05 0.00 -0.57 0.00 0.00 43.02 41.23 1t3v s PHE 27 CO -0.01 -0.77 1.44 0.00 -0.10 0.00 0.00 175.22 175.78 1t3v s ALA 28 N 1.78 2.69 -0.86 5.36 0.00 0.12 -3.26 121.76 127.59 1t3v s ALA 28 Ca 0.05 -2.14 -0.23 0.00 0.00 0.00 0.00 51.96 49.64 1t3v s ALA 28 Cb -0.17 -4.50 0.06 0.00 0.00 0.00 0.00 23.12 18.51 1t3v s ALA 28 CO -0.20 -3.61 1.26 -0.06 0.00 0.00 0.00 175.76 173.15 1t3v s PHE 29 N 5.19 2.58 0.52 0.00 0.08 -0.11 -0.99 117.98 125.25 1t3v s PHE 29 Ca 0.45 -0.65 -0.16 0.00 0.12 0.00 0.00 56.93 56.69 1t3v s PHE 29 Cb -0.01 -4.54 -0.07 0.00 -0.57 0.00 0.00 43.02 37.82 1t3v s PHE 29 CO -0.07 -1.86 0.98 0.08 -0.10 0.00 0.00 175.22 174.26 1t3v s VAL 30 N 4.67 4.56 0.14 -0.44 1.01 0.49 -1.82 120.40 129.00 1t3v s VAL 30 Ca 0.37 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.52 1t3v s VAL 30 Cb -0.06 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1t3v s VAL 30 CO 0.01 -0.74 0.19 0.29 0.00 0.00 0.00 175.10 174.85 1t3v n LYS 31 N -1.72 0.80 -4.08 2.72 5.02 -0.54 -0.12 118.16 120.23 1t3v n LYS 31 Ca 0.06 -0.69 -0.09 0.00 -2.02 0.00 0.00 58.31 55.58 1t3v n LYS 31 Cb 0.54 -0.08 -0.10 0.00 -0.02 0.00 0.00 35.03 35.37 1t3v n LYS 31 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1t3v s VAL 32 N 0.01 0.32 -0.16 -0.18 1.01 -0.58 -4.54 120.40 116.29 1t3v s VAL 32 Ca 0.14 -1.60 -0.19 0.00 0.00 0.00 0.00 61.98 60.34 1t3v s VAL 32 Cb -0.01 -1.23 0.05 0.00 0.00 0.00 0.00 36.38 35.19 1t3v s VAL 32 CO 0.09 -0.82 0.50 -0.75 0.00 0.00 0.00 175.10 174.12 1t3v s LYS 33 N -3.22 0.64 -1.48 2.72 2.20 -0.05 -4.65 119.74 115.91 1t3v s LYS 33 Ca 0.02 0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 56.15 1t3v s LYS 33 Cb 0.02 0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.69 1t3v s LYS 33 CO -0.06 -0.11 0.48 0.09 -0.36 0.00 0.00 175.35 175.39 1t3v n ASN 34 N 2.45 -0.93 -4.42 1.43 4.13 -1.26 -0.41 115.26 116.25 1t3v n ASN 34 Ca -0.15 -1.02 -0.40 0.00 1.68 0.00 0.00 54.58 54.70 1t3v n ASN 34 Cb 0.56 -2.93 -0.06 0.00 -1.54 0.00 0.00 39.78 35.81 1t3v n ASN 34 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1t3v n ASN 35 N -2.91 -1.98 -4.22 6.41 6.94 -1.26 -4.97 115.26 113.27 1t3v n ASN 35 Ca -0.23 -1.18 -0.13 0.00 -0.02 0.00 0.00 54.58 53.03 1t3v n ASN 35 Cb 0.65 -1.97 -0.10 0.00 -2.36 0.00 0.00 39.78 35.99 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t3v s ALA 36 N -3.38 1.25 0.50 -2.53 0.00 0.45 -5.06 121.76 113.00 1t3v s ALA 36 Ca 0.72 -1.70 0.23 0.00 0.00 0.00 0.00 51.96 51.21 1t3v s ALA 36 Cb -0.41 1.21 1.30 0.00 0.00 0.00 0.00 23.12 25.22 1t3v s ALA 36 CO 0.99 -0.54 1.95 0.82 0.00 0.00 0.00 175.76 178.99 1t3v h ILE 37 N 2.61 0.72 0.00 0.00 5.03 -1.81 -0.11 117.51 123.96 1t3v h ILE 37 Ca -0.36 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.33 1t3v h ILE 37 Cb 1.24 0.58 0.00 0.00 -3.03 0.00 0.00 36.82 35.61 1t3v h ILE 37 CO 0.56 0.02 0.00 0.00 -0.68 0.00 0.00 178.15 178.05 1t3v n ALA 38 N -2.61 0.00 -3.26 1.87 0.00 -1.26 -2.96 120.51 112.28 1t3v n ALA 38 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 1t3v n ALA 38 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 1t3v n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1t3v s ASP 39 N 0.00 -0.17 0.07 0.00 -1.08 -1.26 -5.01 116.67 109.21 1t3v s ASP 39 Ca 0.00 -0.69 0.07 0.00 -0.52 0.00 0.00 52.55 51.40 1t3v s ASP 39 Cb 0.00 0.58 -0.03 0.00 -1.46 0.00 0.00 42.92 42.01 1t3v s ASP 39 CO 0.00 -1.10 -0.18 -0.63 0.52 0.00 0.00 175.17 173.78 1t3v s ILE 40 N -3.94 1.44 -0.31 4.11 -1.09 -1.26 -1.47 121.20 118.68 1t3v s ILE 40 Ca 0.15 -1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 57.27 1t3v s ILE 40 Cb -0.01 -1.31 0.13 0.00 -1.58 0.00 0.00 42.46 39.70 1t3v s ILE 40 CO 0.03 -0.02 0.27 -0.55 -1.23 0.00 0.00 174.94 173.43 1t3v s SER 41 N -1.53 2.09 -0.95 3.58 0.15 -0.76 -4.96 113.70 111.32 1t3v s SER 41 Ca 0.04 -1.13 -0.01 0.00 0.70 0.00 0.00 55.95 55.55 1t3v s SER 41 Cb -0.09 0.26 0.31 0.00 -1.71 0.00 0.00 66.02 64.79 1t3v s SER 41 CO 0.03 -0.37 1.43 0.55 1.20 0.00 0.00 173.24 176.07 1t3v n VAL 42 N 5.01 4.91 -3.31 4.45 3.14 -1.26 -0.94 118.33 130.33 1t3v n VAL 42 Ca 0.01 -5.82 -0.32 0.00 -2.96 0.00 0.00 64.34 55.25 1t3v n VAL 42 Cb 0.44 -1.85 -0.05 0.00 -1.06 0.00 0.00 33.84 31.32 1t3v n VAL 42 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1t3v s GLU 43 N -3.31 3.86 0.52 1.45 0.41 -1.20 -4.90 118.70 115.54 1t3v s GLU 43 Ca 0.37 0.40 -0.21 0.00 -0.41 0.00 0.00 54.97 55.12 1t3v s GLU 43 Cb 0.13 -2.57 -0.06 0.00 -1.78 0.00 0.00 34.13 29.85 1t3v s GLU 43 CO -0.01 0.25 1.16 -1.21 -0.49 0.00 0.00 175.26 174.96 1t3v s GLU 44 N -2.92 3.43 -0.18 1.61 2.02 -1.26 -1.67 118.70 119.73 1t3v s GLU 44 Ca 0.50 1.72 -0.29 0.00 0.02 0.00 0.00 54.97 56.91 1t3v s GLU 44 Cb -0.11 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1t3v s GLU 44 CO 0.20 -0.81 1.02 1.21 0.02 0.00 0.00 175.26 176.91 1t3v s ASN 45 N -1.58 7.16 0.19 -0.19 3.84 -0.24 -4.74 114.94 119.38 1t3v s ASN 45 Ca 0.70 1.44 0.19 0.00 0.21 0.00 0.00 52.86 55.40 1t3v s ASN 45 Cb -0.27 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.74 1t3v s ASN 45 CO 0.31 -0.57 1.58 -0.81 -2.79 0.00 0.00 177.10 174.82 1t3v n PRO 46 N 5.76 0.12 -2.58 0.43 -0.04 -1.26 -3.11 135.00 134.32 1t3v n PRO 46 Ca 0.11 0.44 -0.07 0.00 -0.04 0.00 0.00 63.50 63.93 1t3v n PRO 46 Cb 0.47 -1.78 0.04 0.00 -0.04 0.00 0.00 33.50 32.19 1t3v n PRO 46 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1t3v n LEU 47 N -2.02 2.56 -0.24 1.53 7.99 -1.26 -4.90 117.00 120.65 1t3v n LEU 47 Ca 0.01 -3.53 0.11 0.00 -0.01 0.00 0.00 56.01 52.60 1t3v n LEU 47 Cb 0.16 0.23 0.38 0.00 -0.11 0.00 0.00 43.42 44.07 1t3v n LEU 47 CO 0.14 1.35 1.22 0.00 -1.51 0.00 0.00 177.39 178.59 1t3v h ALA 48 N 2.47 1.81 0.00 -1.18 0.00 -1.80 -3.33 119.26 117.22 1t3v h ALA 48 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1t3v h ALA 48 Cb 1.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1t3v h ALA 48 CO 0.35 -0.02 0.00 0.94 0.00 0.00 0.00 179.25 180.52 1t3v n GLN 49 N -4.53 0.00 -4.26 0.00 7.27 -1.26 -4.39 117.38 110.20 1t3v n GLN 49 Ca 0.15 -0.14 -0.19 0.00 0.07 0.00 0.00 57.00 56.89 1t3v n GLN 49 Cb 0.41 -0.48 -0.11 0.00 2.41 0.00 0.00 30.24 32.47 1t3v n GLN 49 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1t3v s ASP 50 N 0.00 2.20 0.00 1.69 -1.08 -1.25 -4.63 116.67 113.60 1t3v s ASP 50 Ca 0.00 -0.80 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 1t3v s ASP 50 Cb 0.00 -0.10 0.00 0.00 -1.46 0.00 0.00 42.92 41.36 1t3v s ASP 50 CO 0.00 -0.09 0.00 1.41 0.52 0.00 0.00 175.17 177.01 1t3v n HIS 51 N 0.56 0.00 0.00 -5.34 8.25 -1.26 -4.54 115.22 112.89 1t3v n HIS 51 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1t3v n HIS 51 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1t3v n HIS 51 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1t3v n VAL 52 N 0.00 0.00 0.32 1.59 0.24 -1.26 -4.77 118.33 114.45 1t3v n VAL 52 Ca 0.00 0.00 0.20 0.00 -2.04 0.00 0.00 64.34 62.50 1t3v n VAL 52 Cb 0.00 0.00 1.08 0.00 -1.47 0.00 0.00 33.84 33.45 1t3v n VAL 52 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1t3v h HIS 53 N 0.00 0.00 -0.79 6.34 6.17 -1.99 -3.46 115.15 121.42 1t3v h HIS 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1t3v h HIS 53 Cb 0.00 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.93 1t3v h HIS 53 CO 0.00 0.01 0.00 0.41 0.71 0.00 0.00 177.93 179.06 1t3v n GLY 54 N -1.02 0.67 0.25 5.26 0.00 -1.26 -5.02 105.19 104.07 1t3v n GLY 54 Ca -0.03 -0.63 0.08 0.00 0.00 0.00 0.00 46.02 45.44 1t3v n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v n ALA 55 N -0.31 3.43 -0.25 4.61 0.00 -1.26 -4.69 120.51 122.04 1t3v n ALA 55 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.91 1t3v n ALA 55 Cb 0.13 -0.56 0.04 0.00 0.00 0.00 0.00 19.45 19.06 1t3v n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1t3v h VAL 56 N 1.21 0.16 0.00 0.00 2.07 -1.94 -1.20 116.25 116.55 1t3v h VAL 56 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1t3v h VAL 56 Cb 0.49 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1t3v h VAL 56 CO 0.00 0.00 -0.59 1.55 0.02 0.00 0.00 177.57 178.55 1t3v h PRO 57 N -0.09 0.00 -0.58 1.57 0.14 -1.96 -2.96 132.00 128.12 1t3v h PRO 57 Ca 0.29 0.00 0.07 0.00 0.14 0.00 0.00 66.00 66.50 1t3v h PRO 57 Cb 0.56 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 31.65 1t3v h PRO 57 CO -0.76 0.59 0.27 -0.97 0.14 0.00 0.00 178.00 177.26 1t3v h ASN 58 N 0.00 0.35 0.31 1.44 -0.73 -1.52 0.15 115.58 115.59 1t3v h ASN 58 Ca -0.01 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.20 1t3v h ASN 58 Cb 1.24 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.82 1t3v h ASN 58 CO 0.08 0.23 -0.17 0.15 -0.37 0.00 0.00 177.43 177.34 1t3v h PHE 59 N 0.50 -0.46 0.00 0.67 3.57 -1.39 -3.14 116.94 116.69 1t3v h PHE 59 Ca 0.27 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1t3v h PHE 59 Cb 0.24 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1t3v h PHE 59 CO -0.12 -0.27 -0.01 -0.39 -2.23 0.00 0.00 178.31 175.29 1t3v h VAL 60 N -0.45 0.20 0.00 1.41 -1.51 -1.31 0.12 116.25 114.71 1t3v h VAL 60 Ca -0.04 -0.09 -0.04 0.00 -1.23 0.00 0.00 66.70 65.30 1t3v h VAL 60 Cb 0.36 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 1t3v h VAL 60 CO 0.06 0.01 -0.20 0.50 -1.23 0.00 0.00 177.57 176.71 1t3v h LYS 61 N 0.00 0.00 0.00 5.19 3.64 -1.00 -2.20 116.57 122.20 1t3v h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1t3v h LYS 61 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1t3v h LYS 61 CO 0.00 0.20 0.00 1.05 -2.27 0.00 0.00 179.45 178.43 1t3v h GLU 62 N 0.00 0.00 -1.66 1.90 4.11 -0.70 -3.37 114.58 114.86 1t3v h GLU 62 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.23 1t3v h GLU 62 Cb 0.67 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.84 1t3v h GLU 62 CO 0.03 0.00 0.25 1.63 0.07 0.00 0.00 179.01 180.99 1t3v n LYS 63 N -2.88 1.49 -1.41 1.06 4.76 -0.83 -4.83 118.16 115.51 1t3v n LYS 63 Ca 0.04 -0.96 -0.14 0.00 -2.87 0.00 0.00 58.31 54.38 1t3v n LYS 63 Cb 0.50 -1.38 -0.06 0.00 -1.84 0.00 0.00 35.03 32.25 1t3v n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1t3v n GLY 64 N 0.74 1.36 3.79 0.72 0.00 -1.26 -4.90 105.19 105.65 1t3v n GLY 64 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1t3v n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v s ALA 65 N -2.21 2.11 0.00 4.61 0.00 -1.26 -4.68 121.76 120.32 1t3v s ALA 65 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1t3v s ALA 65 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1t3v s ALA 65 CO 0.00 -1.88 0.00 0.39 0.00 0.00 0.00 175.76 174.27 1t3v n GLU 66 N -3.53 0.71 -4.08 0.00 1.02 -1.08 -4.90 120.64 108.78 1t3v n GLU 66 Ca 0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.10 1t3v n GLU 66 Cb 0.57 -0.65 -0.11 0.00 -0.02 0.00 0.00 31.44 31.23 1t3v n GLU 66 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1t3v s LEU 67 N -2.61 2.36 -0.10 -4.62 1.98 -0.13 -1.52 118.68 114.04 1t3v s LEU 67 Ca 0.00 -0.73 -0.12 0.00 -2.89 0.00 0.00 54.13 50.39 1t3v s LEU 67 Cb 0.00 -0.03 0.03 0.00 0.66 0.00 0.00 46.19 46.85 1t3v s LEU 67 CO 0.00 -0.35 0.32 -0.69 -1.89 0.00 0.00 176.35 173.74 1t3v s VAL 68 N -2.38 0.01 -0.19 1.68 1.01 -0.67 -1.16 120.40 118.71 1t3v s VAL 68 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1t3v s VAL 68 Cb -0.03 -0.49 0.06 0.00 0.00 0.00 0.00 36.38 35.91 1t3v s VAL 68 CO -0.03 -0.05 0.01 -0.63 0.00 0.00 0.00 175.10 174.40 1t3v s ILE 69 N -0.12 0.70 0.37 2.22 1.01 0.34 -0.39 121.20 125.34 1t3v s ILE 69 Ca -0.03 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1t3v s ILE 69 Cb -0.03 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1t3v s ILE 69 CO 0.01 -0.12 0.11 1.33 0.00 0.00 0.00 174.94 176.27 1t3v n VAL 70 N 4.99 0.00 0.00 2.92 0.24 -0.31 -4.27 118.33 121.91 1t3v n VAL 70 Ca -0.09 -2.10 0.00 0.00 -2.04 0.00 0.00 64.34 60.11 1t3v n VAL 70 Cb 0.47 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 1t3v n VAL 70 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1t3v n ARG 71 N -0.85 0.00 -2.47 7.34 1.74 -1.26 -2.00 116.66 119.16 1t3v n ARG 71 Ca -0.07 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.60 1t3v n ARG 71 Cb 0.54 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.99 1t3v n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t3v n GLY 72 N 4.71 5.65 3.39 -0.13 0.00 0.11 -4.22 105.19 114.71 1t3v n GLY 72 Ca 0.00 -2.40 -0.29 0.00 0.00 0.00 0.00 46.02 43.33 1t3v n GLY 72 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t3v n ILE 73 N 0.89 0.00 -4.32 -0.61 3.06 -1.26 -4.22 119.36 112.90 1t3v n ILE 73 Ca 0.49 -0.38 -0.28 0.00 -2.50 0.00 0.00 62.75 60.08 1t3v n ILE 73 Cb 0.27 -1.00 -0.11 0.00 0.54 0.00 0.00 39.64 39.35 1t3v n ILE 73 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1t3v s GLY 74 N -2.56 1.71 0.28 4.50 0.00 -1.26 -4.91 107.32 105.08 1t3v s GLY 74 Ca 0.69 -1.45 0.02 0.00 0.00 0.00 0.00 44.72 43.97 1t3v s GLY 74 CO 0.64 -1.46 1.74 -0.09 0.00 0.00 0.00 173.10 173.93 1t3v h ARG 75 N 3.30 0.53 -0.08 2.90 9.65 -1.99 -1.02 114.38 127.67 1t3v h ARG 75 Ca -0.48 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.39 1t3v h ARG 75 Cb 1.19 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1t3v h ARG 75 CO 0.50 0.35 0.17 0.07 2.80 0.00 0.00 179.97 183.86 1t3v h ARG 76 N 0.55 0.00 0.01 0.20 0.11 -1.98 -1.20 114.38 112.06 1t3v h ARG 76 Ca 0.52 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 60.25 1t3v h ARG 76 Cb 0.85 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.88 1t3v h ARG 76 CO -0.43 0.00 -2.12 0.00 0.10 0.00 0.00 179.97 177.52 1t3v n ALA 77 N -2.15 1.44 -0.20 0.08 0.00 -0.41 -3.82 120.51 115.45 1t3v n ALA 77 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1t3v n ALA 77 Cb 0.26 -0.46 0.11 0.00 0.00 0.00 0.00 19.45 19.36 1t3v n ALA 77 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1t3v h ILE 78 N 0.01 0.76 0.00 0.00 1.08 -1.08 -2.12 117.51 116.15 1t3v h ILE 78 Ca -0.44 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1t3v h ILE 78 Cb 2.11 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.19 1t3v h ILE 78 CO 0.04 0.07 0.00 0.00 -0.69 0.00 0.00 178.15 177.57 1t3v n ALA 79 N -2.48 1.02 -0.06 1.87 0.00 -0.55 -0.94 120.51 119.38 1t3v n ALA 79 Ca 0.09 0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 1t3v n ALA 79 Cb 0.28 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 1t3v n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3v h ALA 80 N 2.00 0.01 -0.94 0.00 0.00 -1.49 -3.27 119.26 115.57 1t3v h ALA 80 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1t3v h ALA 80 Cb 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1t3v h ALA 80 CO 0.00 0.07 0.61 0.74 0.00 0.00 0.00 179.25 180.67 1t3v h PHE 81 N -1.00 1.13 -0.42 0.00 0.04 -1.42 0.35 116.94 115.62 1t3v h PHE 81 Ca -0.01 0.03 0.12 0.00 2.80 0.00 0.00 57.97 60.91 1t3v h PHE 81 Cb 0.34 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1t3v h PHE 81 CO 0.06 0.64 0.32 0.93 -0.60 0.00 0.00 178.31 179.66 1t3v h GLU 82 N 1.15 0.00 0.00 1.51 4.39 -1.20 0.15 114.58 120.58 1t3v h GLU 82 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1t3v h GLU 82 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1t3v h GLU 82 CO -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.73 1t3v n ALA 83 N -2.58 2.37 -0.51 3.43 0.00 0.11 -3.27 120.51 120.06 1t3v n ALA 83 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1t3v n ALA 83 Cb 0.52 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1t3v n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3v n MET 84 N -1.33 -0.17 -3.52 0.00 -0.00 -0.66 -5.01 117.12 106.44 1t3v n MET 84 Ca 0.12 -0.21 -0.24 0.00 -0.00 0.00 0.00 57.70 57.37 1t3v n MET 84 Cb 0.24 -0.69 0.06 0.00 -0.00 0.00 0.00 33.22 32.84 1t3v n MET 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1t3v n GLY 85 N 0.04 -0.54 3.70 3.17 0.00 -0.24 -4.98 105.19 106.33 1t3v n GLY 85 Ca 0.00 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1t3v n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t3v s VAL 86 N -3.28 4.75 0.29 1.61 1.01 0.38 -5.00 120.40 120.17 1t3v s VAL 86 Ca 0.54 2.00 -0.28 0.00 0.00 0.00 0.00 61.98 64.24 1t3v s VAL 86 Cb -0.24 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.76 1t3v s VAL 86 CO 0.67 0.08 0.99 -0.75 0.00 0.00 0.00 175.10 176.09 1t3v s LYS 87 N 1.51 4.64 -0.30 2.72 2.20 -0.57 -4.29 119.74 125.65 1t3v s LYS 87 Ca 0.51 1.52 -0.01 0.00 -0.36 0.00 0.00 55.97 57.63 1t3v s LYS 87 Cb -0.20 -3.03 0.09 0.00 -1.51 0.00 0.00 37.83 33.18 1t3v s LYS 87 CO 0.23 0.30 0.08 0.54 -0.36 0.00 0.00 175.35 176.14 1t3v s VAL 88 N -1.36 0.97 0.48 4.02 0.11 -1.26 -1.67 120.40 121.68 1t3v s VAL 88 Ca 0.47 -1.37 -0.21 0.00 -2.93 0.00 0.00 61.98 57.94 1t3v s VAL 88 Cb -0.25 -1.68 -0.08 0.00 -1.53 0.00 0.00 36.38 32.84 1t3v s VAL 88 CO 0.31 -0.59 1.05 -0.63 -3.33 0.00 0.00 175.10 171.91 1t3v s ILE 89 N 1.58 3.70 0.40 7.04 1.01 0.48 -4.60 121.20 130.81 1t3v s ILE 89 Ca 0.08 1.10 0.03 0.00 0.00 0.00 0.00 60.65 61.87 1t3v s ILE 89 Cb -0.17 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1t3v s ILE 89 CO -0.21 -0.19 0.10 -0.54 0.00 0.00 0.00 174.94 174.10 1t3v s LYS 90 N -3.11 1.90 -0.86 2.79 3.01 -1.17 -1.16 119.74 121.14 1t3v s LYS 90 Ca 0.66 -2.14 0.00 0.00 -1.01 0.00 0.00 55.97 53.48 1t3v s LYS 90 Cb -0.18 -0.77 0.00 0.00 -1.01 0.00 0.00 37.83 35.86 1t3v s LYS 90 CO 0.22 -0.40 0.00 0.41 0.51 0.00 0.00 175.35 176.09 1t3v n GLY 91 N -0.90 1.00 3.85 -3.33 0.00 -0.85 -4.64 105.19 100.32 1t3v n GLY 91 Ca -0.07 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1t3v n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v s ALA 92 N -2.27 1.74 -0.04 4.61 0.00 -1.14 -5.04 121.76 119.63 1t3v s ALA 92 Ca 0.00 -1.27 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 1t3v s ALA 92 Cb 0.00 -2.76 0.10 0.00 0.00 0.00 0.00 23.12 20.46 1t3v s ALA 92 CO 0.00 -2.90 0.83 -1.54 0.00 0.00 0.00 175.76 172.15 1t3v s SER 93 N -4.72 -0.47 0.00 0.00 1.04 -1.26 -4.79 113.70 103.50 1t3v s SER 93 Ca 0.76 0.30 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1t3v s SER 93 Cb -0.03 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1t3v s SER 93 CO 0.54 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1t3v n GLY 94 N 0.31 0.16 3.90 7.32 0.00 -1.26 -4.51 105.19 111.12 1t3v n GLY 94 Ca -0.13 -2.29 -0.29 0.00 0.00 0.00 0.00 46.02 43.31 1t3v n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t3v s THR 95 N 0.00 1.99 0.08 2.61 -4.23 -1.26 -1.18 115.64 113.66 1t3v s THR 95 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 61.69 60.18 1t3v s THR 95 Cb 0.00 -2.98 -0.16 0.00 1.34 0.00 0.00 72.50 70.70 1t3v s THR 95 CO 0.00 0.00 1.61 0.58 -0.54 0.00 0.00 174.62 176.27 1t3v h VAL 96 N -1.34 0.25 -0.21 2.29 2.07 -1.00 -0.52 116.25 117.79 1t3v h VAL 96 Ca -0.45 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1t3v h VAL 96 Cb 1.29 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1t3v h VAL 96 CO 0.54 0.00 0.03 1.05 0.02 0.00 0.00 177.57 179.21 1t3v h GLU 97 N -0.87 0.29 0.26 1.57 4.11 -1.47 -0.27 114.58 118.21 1t3v h GLU 97 Ca -0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 1t3v h GLU 97 Cb 0.72 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1t3v h GLU 97 CO 0.03 0.30 -0.13 1.49 0.07 0.00 0.00 179.01 180.77 1t3v h GLU 98 N 0.29 -0.34 -0.27 1.06 4.57 -1.78 0.15 114.58 118.27 1t3v h GLU 98 Ca 0.07 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.35 1t3v h GLU 98 Cb 0.16 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1t3v h GLU 98 CO 0.00 0.00 0.19 0.28 -1.18 0.00 0.00 179.01 178.31 1t3v h VAL 99 N -0.75 0.87 0.10 0.32 2.07 -0.77 -0.14 116.25 117.95 1t3v h VAL 99 Ca -0.04 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1t3v h VAL 99 Cb 0.50 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1t3v h VAL 99 CO 0.06 0.00 -0.05 0.58 0.02 0.00 0.00 177.57 178.18 1t3v h VAL 100 N 0.01 1.00 -0.68 2.57 2.07 -0.82 -3.19 116.25 117.21 1t3v h VAL 100 Ca 0.13 -1.37 0.10 0.00 0.82 0.00 0.00 66.70 66.37 1t3v h VAL 100 Cb 0.51 1.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 1t3v h VAL 100 CO -0.00 0.28 0.31 0.78 0.02 0.00 0.00 177.57 178.96 1t3v h ASN 101 N -0.87 0.38 -0.96 0.57 2.35 -0.35 -0.32 115.58 116.37 1t3v h ASN 101 Ca -0.01 0.07 0.14 0.00 -0.55 0.00 0.00 56.30 55.95 1t3v h ASN 101 Cb 0.57 0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.87 1t3v h ASN 101 CO 0.02 0.21 0.61 1.56 -1.65 0.00 0.00 177.43 178.18 1t3v h GLN 102 N 0.53 0.81 0.21 0.81 1.08 -1.12 0.18 115.11 117.60 1t3v h GLN 102 Ca 0.34 -0.05 -0.32 0.00 -1.45 0.00 0.00 58.65 57.17 1t3v h GLN 102 Cb 0.38 -0.18 0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1t3v h GLN 102 CO -0.29 0.53 -1.40 -0.92 -0.95 0.00 0.00 178.83 175.81 1t3v h TYR 103 N 0.83 0.95 0.00 2.96 3.20 -1.11 0.17 116.97 123.98 1t3v h TYR 103 Ca 0.49 -0.67 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 1t3v h TYR 103 Cb 0.66 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1t3v h TYR 103 CO -0.00 1.51 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.89 1t3v h LEU 104 N 0.18 0.00 -0.49 2.82 4.07 -0.46 0.69 115.31 122.11 1t3v h LEU 104 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1t3v h LEU 104 Cb 2.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.82 1t3v h LEU 104 CO 0.26 0.07 -0.06 -1.20 -1.08 0.00 0.00 178.44 176.43 1t3v n SER 105 N -3.92 0.83 -1.04 -0.43 7.64 -0.01 -4.95 113.62 111.74 1t3v n SER 105 Ca -0.02 -1.06 -0.14 0.00 1.01 0.00 0.00 58.87 58.66 1t3v n SER 105 Cb 0.16 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 1t3v n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3v n GLY 106 N 1.18 1.42 0.12 0.23 0.00 0.23 -4.87 105.19 103.50 1t3v n GLY 106 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1t3v n GLY 106 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t3v h GLN 107 N 0.01 0.00 -6.83 1.61 1.08 -1.20 -3.46 115.11 106.33 1t3v h GLN 107 Ca -0.28 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.43 1t3v h GLN 107 Cb 0.91 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 1t3v h GLN 107 CO 0.41 0.68 0.13 -0.51 -0.95 0.00 0.00 178.83 178.58 1t3v s LEU 108 N -6.75 3.91 0.15 1.46 1.43 -1.15 -5.00 118.68 112.73 1t3v s LEU 108 Ca 0.02 1.22 -0.16 0.00 -1.03 0.00 0.00 54.13 54.19 1t3v s LEU 108 Cb 0.09 -4.08 0.03 0.00 0.03 0.00 0.00 46.19 42.26 1t3v s LEU 108 CO 0.77 -0.34 0.42 -1.59 0.23 0.00 0.00 176.35 175.83 1t3v s LYS 109 N -3.53 1.15 -0.95 1.70 0.00 -1.26 -4.91 119.74 111.95 1t3v s LYS 109 Ca 0.53 -0.79 -0.20 0.00 0.00 0.00 0.00 55.97 55.51 1t3v s LYS 109 Cb -0.10 0.47 0.12 0.00 0.00 0.00 0.00 37.83 38.32 1t3v s LYS 109 CO 0.26 -0.46 1.19 0.34 0.00 0.00 0.00 175.35 176.68 1t3v s ASP 110 N -2.84 6.60 0.35 0.03 2.15 -1.26 -3.06 116.67 118.64 1t3v s ASP 110 Ca 0.06 -1.93 0.04 0.00 0.43 0.00 0.00 52.55 51.15 1t3v s ASP 110 Cb 0.01 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.17 1t3v s ASP 110 CO -0.09 -1.15 0.16 -0.94 -0.17 0.00 0.00 175.17 172.98 1t3v s SER 111 N 3.90 2.10 -0.07 -0.34 1.04 -1.26 -4.96 113.70 114.10 1t3v s SER 111 Ca 0.35 -1.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.15 1t3v s SER 111 Cb -0.04 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1t3v s SER 111 CO -0.10 -0.91 0.03 -0.67 0.98 0.00 0.00 173.24 172.57 1t3v n ASP 112 N -1.14 -2.77 -3.72 7.02 2.03 -1.26 -4.55 116.55 112.15 1t3v n ASP 112 Ca -0.01 0.40 -0.14 0.00 0.52 0.00 0.00 54.79 55.56 1t3v n ASP 112 Cb 0.65 -2.23 -0.09 0.00 -0.72 0.00 0.00 41.12 38.73 1t3v n ASP 112 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1t3v s TYR 113 N -0.35 -0.33 0.03 -0.67 6.14 -1.26 -4.98 117.35 115.93 1t3v s TYR 113 Ca -0.04 0.66 0.00 0.00 0.64 0.00 0.00 57.07 58.34 1t3v s TYR 113 Cb 0.00 0.15 -0.04 0.00 0.42 0.00 0.00 41.96 42.50 1t3v s TYR 113 CO 0.23 -0.35 0.11 -1.83 0.64 0.00 0.00 175.55 174.34 1t3v s GLU 114 N -0.76 3.10 -0.09 4.97 -1.05 -1.26 -5.05 118.70 118.56 1t3v s GLU 114 Ca -0.08 -0.53 0.15 0.00 -0.15 0.00 0.00 54.97 54.36 1t3v s GLU 114 Cb -0.04 -2.87 0.30 0.00 -0.44 0.00 0.00 34.13 31.09 1t3v s GLU 114 CO 0.04 0.62 1.14 1.55 0.95 0.00 0.00 175.26 179.56 1t3v n VAL 115 N 0.82 1.03 -1.86 1.83 3.14 -1.26 -4.88 118.33 117.15 1t3v n VAL 115 Ca -0.10 -1.68 0.05 0.00 -2.96 0.00 0.00 64.34 59.64 1t3v n VAL 115 Cb 0.52 0.27 0.08 0.00 -1.06 0.00 0.00 33.84 33.66 1t3v n VAL 115 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1t3v n HIS 116 N -0.48 0.00 -4.96 1.45 -0.00 -1.26 -5.04 115.22 104.93 1t3v n HIS 116 Ca 0.10 -0.67 -0.29 0.00 -0.00 0.00 0.00 57.72 56.86 1t3v n HIS 116 Cb 0.81 -0.14 -0.15 0.00 -0.00 0.00 0.00 29.99 30.51 1t3v n HIS 116 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1t3v s ASP 117 N -2.16 2.86 0.00 0.26 2.15 -1.26 -5.06 116.67 113.45 1t3v s ASP 117 Ca 0.25 -0.51 0.00 0.00 0.43 0.00 0.00 52.55 52.72 1t3v s ASP 117 Cb 0.25 -0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.59 1t3v s ASP 117 CO -0.06 0.25 0.00 1.41 -0.17 0.00 0.00 175.17 176.60 1t3v n HIS 118 N 2.08 0.00 0.02 -5.34 8.25 -1.26 -4.85 115.22 114.12 1t3v n HIS 118 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1t3v n HIS 118 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1t3v n HIS 118 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1t3v n HIS 119 N 3.48 -1.40 -2.02 4.41 -0.00 -1.26 -5.10 115.22 113.33 1t3v n HIS 119 Ca 0.00 0.11 -0.07 0.00 0.46 0.00 0.00 57.72 58.23 1t3v n HIS 119 Cb 0.00 0.50 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 1t3v n HIS 119 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1t3v n HIS 120 N -2.37 -0.49 -1.97 1.57 8.25 -1.26 -4.78 115.22 114.17 1t3v n HIS 120 Ca 0.00 0.20 -0.37 0.00 -0.26 0.00 0.00 57.72 57.29 1t3v n HIS 120 Cb 0.00 -0.43 -0.03 0.00 1.12 0.00 0.00 29.99 30.65 1t3v n HIS 120 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1t3v s HIS 121 N -1.07 1.59 0.00 4.41 2.46 -1.26 -4.55 115.29 116.87 1t3v s HIS 121 Ca 0.05 0.89 0.00 0.00 0.47 0.00 0.00 55.06 56.46 1t3v s HIS 121 Cb -0.00 -4.01 0.00 0.00 -0.13 0.00 0.00 32.58 28.43 1t3v s HIS 121 CO 0.18 -2.29 0.00 0.39 -2.47 0.00 0.00 174.74 170.55 1t3v n GLU 122 N 9.14 0.00 -2.32 2.88 1.02 -1.26 -4.83 120.64 125.27 1t3v n GLU 122 Ca 0.24 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.36 1t3v n GLU 122 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1t3v n GLU 122 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1t3v n HIS 123 N 0.00 -1.77 -1.35 -0.32 -0.00 -1.26 -5.19 115.22 105.33 1t3v n HIS 123 Ca 0.00 0.69 0.00 0.00 0.46 0.00 0.00 57.72 58.87 1t3v n HIS 123 Cb 0.00 -2.95 0.00 0.00 -0.12 0.00 0.00 29.99 26.92 1t3v n HIS 123 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41