#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 2.70 -0.27 3.17 1.01 -1.26 -1.08 121.20 125.47 1t3v s ILE 2 Ca 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 60.65 59.44 1t3v s ILE 2 Cb 0.00 -2.12 0.09 0.00 0.01 0.00 0.00 42.46 40.43 1t3v s ILE 2 CO 0.00 0.35 0.06 -0.63 0.00 0.00 0.00 174.94 174.72 1t3v s ILE 3 N -0.90 0.96 0.27 2.92 1.01 0.12 -0.63 121.20 124.95 1t3v s ILE 3 Ca 0.14 -1.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.27 1t3v s ILE 3 Cb -0.10 -1.60 -0.09 0.00 0.01 0.00 0.00 42.46 40.68 1t3v s ILE 3 CO 0.05 -0.49 0.95 0.00 0.00 0.00 0.00 174.94 175.45 1t3v s ALA 4 N 1.60 3.29 -0.14 9.38 0.00 -0.94 -0.60 121.76 134.36 1t3v s ALA 4 Ca 0.05 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 1t3v s ALA 4 Cb -0.18 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1t3v s ALA 4 CO -0.18 0.18 -0.04 0.42 0.00 0.00 0.00 175.76 176.15 1t3v s ILE 5 N -1.34 0.89 0.15 0.00 1.01 -0.15 -0.64 121.20 121.13 1t3v s ILE 5 Ca 0.44 -0.40 -0.31 0.00 0.00 0.00 0.00 60.65 60.39 1t3v s ILE 5 Cb -0.24 -1.06 -0.08 0.00 0.01 0.00 0.00 42.46 41.09 1t3v s ILE 5 CO 0.29 0.18 1.39 -2.16 0.00 0.00 0.00 174.94 174.64 1t3v s PRO 6 N 1.74 4.32 0.24 2.79 0.04 -1.26 -0.62 135.00 142.25 1t3v s PRO 6 Ca 0.02 2.11 0.09 0.00 0.04 0.00 0.00 61.00 63.26 1t3v s PRO 6 Cb -0.14 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 1t3v s PRO 6 CO -0.07 -0.41 -0.14 0.14 0.04 0.00 0.00 177.00 176.56 1t3v s VAL 7 N 0.78 1.94 0.03 -0.36 -7.23 -0.78 -0.41 120.40 114.37 1t3v s VAL 7 Ca 0.63 -2.25 0.10 0.00 -1.81 0.00 0.00 61.98 58.65 1t3v s VAL 7 Cb -0.38 -2.20 -0.22 0.00 0.56 0.00 0.00 36.38 34.15 1t3v s VAL 7 CO 0.33 -0.49 0.94 0.28 -0.31 0.00 0.00 175.10 175.85 1t3v h SER 8 N 2.42 0.00 -5.05 4.85 0.02 -1.04 -3.29 113.55 111.46 1t3v h SER 8 Ca -0.39 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.46 1t3v h SER 8 Cb 1.23 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.60 1t3v h SER 8 CO 0.63 0.99 -0.30 -1.61 -1.14 0.00 0.00 176.83 175.40 1t3v s GLU 9 N -2.65 0.76 -1.37 3.45 2.02 -1.26 -4.81 118.70 114.83 1t3v s GLU 9 Ca -0.02 -0.52 -0.10 0.00 0.02 0.00 0.00 54.97 54.35 1t3v s GLU 9 Cb 0.09 0.32 0.10 0.00 0.10 0.00 0.00 34.13 34.74 1t3v s GLU 9 CO 0.82 -0.23 2.18 -1.71 0.02 0.00 0.00 175.26 176.34 1t3v n ASN 10 N 0.69 5.71 -2.15 -0.19 4.05 -1.26 -4.37 115.26 117.74 1t3v n ASN 10 Ca -0.19 -2.99 -0.29 0.00 0.45 0.00 0.00 54.58 51.57 1t3v n ASN 10 Cb 0.59 -1.51 0.07 0.00 1.23 0.00 0.00 39.78 40.15 1t3v n ASN 10 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1t3v n ARG 11 N 4.03 2.99 0.00 1.20 1.74 -1.26 -4.98 116.66 120.38 1t3v n ARG 11 Ca 0.51 -3.62 0.00 0.00 -0.77 0.00 0.00 57.85 53.98 1t3v n ARG 11 Cb 0.33 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 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 -0.86 0.23 0.00 -0.13 0.00 -1.26 -1.76 105.19 101.41 1t3v n GLY 12 Ca 0.54 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1t3v n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t3v n LYS 13 N 0.00 0.60 0.00 1.61 5.02 -1.26 -4.26 118.16 119.87 1t3v n LYS 13 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1t3v n LYS 13 Cb 0.00 -1.00 0.27 0.00 -0.02 0.00 0.00 35.03 34.28 1t3v n LYS 13 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1t3v n ASP 14 N -2.42 0.00 -4.39 4.39 5.75 -0.72 -1.44 116.55 117.71 1t3v n ASP 14 Ca 0.00 -0.19 -0.52 0.00 -0.01 0.00 0.00 54.79 54.08 1t3v n ASP 14 Cb 0.50 -0.07 -0.10 0.00 -1.03 0.00 0.00 41.12 40.42 1t3v n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1t3v n SER 15 N -1.07 1.34 -4.69 -1.12 7.64 -0.97 -4.74 113.62 110.01 1t3v n SER 15 Ca 0.06 0.41 -0.42 0.00 1.01 0.00 0.00 58.87 59.93 1t3v n SER 15 Cb 0.04 -1.10 -0.03 0.00 -1.01 0.00 0.00 64.21 62.12 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 6.73 4.39 0.24 1.43 0.04 -1.26 -1.52 135.00 145.04 1t3v s PRO 16 Ca 1.17 1.64 -0.31 0.00 0.04 0.00 0.00 61.00 63.54 1t3v s PRO 16 Cb -1.11 -3.52 -0.13 0.00 0.04 0.00 0.00 34.50 29.78 1t3v s PRO 16 CO 0.54 -0.38 1.41 1.51 0.04 0.00 0.00 177.00 180.12 1t3v n ILE 17 N 4.45 0.97 -1.55 0.56 3.06 -0.80 -0.50 119.36 125.54 1t3v n ILE 17 Ca 0.10 -0.24 -0.29 0.00 -2.50 0.00 0.00 62.75 59.82 1t3v n ILE 17 Cb 0.47 -1.48 0.15 0.00 0.54 0.00 0.00 39.64 39.32 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 0.28 3.26 0.09 9.51 0.15 0.46 -4.58 113.70 122.87 1t3v s SER 18 Ca 0.68 0.84 0.05 0.00 0.70 0.00 0.00 55.95 58.22 1t3v s SER 18 Cb -0.65 -1.32 -0.23 0.00 -1.71 0.00 0.00 66.02 62.12 1t3v s SER 18 CO 0.50 -2.70 1.17 -0.33 1.20 0.00 0.00 173.24 173.08 1t3v h GLU 19 N -1.60 0.06 0.00 5.44 5.08 -1.94 -3.39 114.58 118.23 1t3v h GLU 19 Ca -0.49 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 57.73 1t3v h GLU 19 Cb 1.32 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1t3v h GLU 19 CO 0.57 1.00 -0.03 0.72 -1.00 0.00 0.00 179.01 180.26 1t3v n HIS 20 N -3.36 0.00 0.00 4.33 8.25 -1.26 -0.27 115.22 122.91 1t3v n HIS 20 Ca -0.04 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1t3v n HIS 20 Cb 0.97 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.08 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 -0.05 0.00 1.45 4.41 7.35 -1.26 -4.70 117.46 124.66 1t3v n PHE 21 Ca -0.00 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.79 1t3v n PHE 21 Cb 0.04 0.00 0.41 0.00 0.35 0.00 0.00 39.48 40.28 1t3v n PHE 21 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1t3v n GLY 22 N 3.40 -0.10 2.72 7.13 0.00 -1.26 -2.67 105.19 114.42 1t3v n GLY 22 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 1t3v n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1t3v n ARG 23 N -0.01 1.35 -2.70 1.61 0.00 -1.26 -4.86 116.66 110.80 1t3v n ARG 23 Ca 0.15 -2.91 -0.40 0.00 -0.00 0.00 0.00 57.85 54.69 1t3v n ARG 23 Cb 0.25 -1.00 -0.05 0.00 -0.00 0.00 0.00 32.46 31.65 1t3v n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t3v s ALA 24 N -2.50 3.32 0.06 2.89 0.00 -1.09 -4.96 121.76 119.48 1t3v s ALA 24 Ca 0.24 0.65 0.20 0.00 0.00 0.00 0.00 51.96 53.06 1t3v s ALA 24 Cb 0.41 -3.25 0.63 0.00 0.00 0.00 0.00 23.12 20.90 1t3v s ALA 24 CO -0.02 0.07 1.70 -1.00 0.00 0.00 0.00 175.76 176.51 1t3v h PRO 25 N 4.61 0.00 -3.79 0.00 0.13 -1.87 -3.43 132.00 127.64 1t3v h PRO 25 Ca -0.44 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 1t3v h PRO 25 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 1t3v h PRO 25 CO 0.69 0.33 -0.41 0.71 -0.23 0.00 0.00 178.00 179.09 1t3v s TYR 26 N -3.46 0.16 -0.17 1.56 1.51 -1.24 -1.13 117.35 114.58 1t3v s TYR 26 Ca 0.01 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1t3v s TYR 26 Cb 0.10 -0.09 0.02 0.00 -0.11 0.00 0.00 41.96 41.88 1t3v s TYR 26 CO 0.68 -0.49 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.40 1t3v s PHE 27 N -3.50 2.56 -0.99 2.71 0.08 -0.10 -1.86 117.98 116.87 1t3v s PHE 27 Ca 0.02 -1.52 -0.20 0.00 0.12 0.00 0.00 56.93 55.35 1t3v s PHE 27 Cb 0.03 -1.79 0.10 0.00 -0.57 0.00 0.00 43.02 40.79 1t3v s PHE 27 CO -0.09 -0.76 1.29 0.00 -0.10 0.00 0.00 175.22 175.56 1t3v s ALA 28 N 1.36 3.10 -1.05 5.36 0.00 0.21 -0.81 121.76 129.93 1t3v s ALA 28 Ca 0.04 -2.57 -0.23 0.00 0.00 0.00 0.00 51.96 49.20 1t3v s ALA 28 Cb -0.13 -4.28 0.03 0.00 0.00 0.00 0.00 23.12 18.74 1t3v s ALA 28 CO -0.12 -3.26 1.61 -0.06 0.00 0.00 0.00 175.76 173.93 1t3v s PHE 29 N 3.68 2.41 0.31 0.00 0.08 -0.15 -0.98 117.98 123.33 1t3v s PHE 29 Ca 0.39 -0.63 -0.27 0.00 0.12 0.00 0.00 56.93 56.55 1t3v s PHE 29 Cb -0.02 -4.55 -0.10 0.00 -0.57 0.00 0.00 43.02 37.78 1t3v s PHE 29 CO -0.09 -1.85 0.95 0.08 -0.10 0.00 0.00 175.22 174.21 1t3v s VAL 30 N 6.10 4.14 0.00 -0.44 1.01 0.23 -2.61 120.40 128.83 1t3v s VAL 30 Ca 0.53 1.86 0.00 0.00 0.00 0.00 0.00 61.98 64.37 1t3v s VAL 30 Cb -0.01 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1t3v s VAL 30 CO -0.04 0.23 0.00 0.29 0.00 0.00 0.00 175.10 175.57 1t3v n LYS 31 N 0.77 0.68 -3.91 2.72 5.02 -0.69 0.11 118.16 122.86 1t3v n LYS 31 Ca 0.01 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 1t3v n LYS 31 Cb 0.49 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.38 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 0.16 0.05 -0.05 -0.18 1.01 -0.24 -4.41 120.40 116.74 1t3v s VAL 32 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1t3v s VAL 32 Cb 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 36.38 36.24 1t3v s VAL 32 CO 0.00 -0.25 0.11 -0.75 0.00 0.00 0.00 175.10 174.21 1t3v s LYS 33 N -0.74 0.04 -1.04 2.72 2.20 -0.04 -4.58 119.74 118.31 1t3v s LYS 33 Ca -0.08 0.33 -0.28 0.00 -0.36 0.00 0.00 55.97 55.58 1t3v s LYS 33 Cb -0.05 -0.22 0.04 0.00 -1.51 0.00 0.00 37.83 36.09 1t3v s LYS 33 CO -0.00 -0.18 0.59 0.09 -0.36 0.00 0.00 175.35 175.49 1t3v n ASN 34 N 4.33 -3.69 -0.61 1.43 3.02 -1.26 -0.67 115.26 117.82 1t3v n ASN 34 Ca -0.24 -1.14 -0.06 0.00 -0.03 0.00 0.00 54.58 53.11 1t3v n ASN 34 Cb 0.51 -1.40 -0.02 0.00 -0.61 0.00 0.00 39.78 38.26 1t3v n ASN 34 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1t3v n ASN 35 N -1.83 -3.63 -4.64 6.41 2.85 -1.26 -4.94 115.26 108.23 1t3v n ASN 35 Ca -0.12 0.14 -0.29 0.00 -0.11 0.00 0.00 54.58 54.21 1t3v n ASN 35 Cb 0.51 -2.76 -0.10 0.00 1.24 0.00 0.00 39.78 38.67 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1t3v s ALA 36 N -1.28 3.35 0.56 5.20 0.00 0.15 -5.04 121.76 124.69 1t3v s ALA 36 Ca 0.00 -1.83 0.35 0.00 0.00 0.00 0.00 51.96 50.48 1t3v s ALA 36 Cb 0.00 0.17 1.94 0.00 0.00 0.00 0.00 23.12 25.23 1t3v s ALA 36 CO 0.00 -0.11 2.25 0.82 0.00 0.00 0.00 175.76 178.72 1t3v h ILE 37 N 1.69 0.33 0.00 0.00 5.03 -1.80 -0.06 117.51 122.70 1t3v h ILE 37 Ca -0.44 -0.13 0.00 0.00 -0.12 0.00 0.00 64.86 64.17 1t3v h ILE 37 Cb 1.26 1.09 0.00 0.00 -3.03 0.00 0.00 36.82 36.14 1t3v h ILE 37 CO 0.78 0.02 0.00 0.00 -0.68 0.00 0.00 178.15 178.28 1t3v n ALA 38 N -2.22 0.00 -2.94 1.87 0.00 -1.26 -2.95 120.51 113.01 1t3v n ALA 38 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 1t3v n ALA 38 Cb 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 1t3v n ALA 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t3v s ASP 39 N -1.38 -0.12 0.15 0.00 1.11 -1.26 -5.00 116.67 110.17 1t3v s ASP 39 Ca 0.00 -0.28 0.06 0.00 0.18 0.00 0.00 52.55 52.52 1t3v s ASP 39 Cb 0.00 0.38 -0.04 0.00 1.07 0.00 0.00 42.92 44.33 1t3v s ASP 39 CO 0.00 -0.69 0.01 -0.63 1.18 0.00 0.00 175.17 175.05 1t3v s ILE 40 N -3.01 3.87 -0.43 0.77 -1.09 -1.26 -1.71 121.20 118.33 1t3v s ILE 40 Ca -0.02 -1.29 0.05 0.00 -2.23 0.00 0.00 60.65 57.16 1t3v s ILE 40 Cb 0.01 -2.92 0.17 0.00 -1.58 0.00 0.00 42.46 38.14 1t3v s ILE 40 CO -0.06 -0.06 0.43 -0.44 -1.23 0.00 0.00 174.94 173.58 1t3v s SER 41 N -2.81 0.78 -0.73 3.58 0.01 -1.07 -4.93 113.70 108.53 1t3v s SER 41 Ca 0.27 -2.68 -0.27 0.00 1.31 0.00 0.00 55.95 54.59 1t3v s SER 41 Cb -0.10 0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.29 1t3v s SER 41 CO 0.19 -0.15 1.41 0.54 0.41 0.00 0.00 173.24 175.64 1t3v s VAL 42 N 0.34 3.65 -0.11 3.43 0.11 -1.26 -0.98 120.40 125.58 1t3v s VAL 42 Ca 0.31 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1t3v s VAL 42 Cb 0.01 -4.72 -0.02 0.00 -1.53 0.00 0.00 36.38 30.12 1t3v s VAL 42 CO -0.15 -1.67 -0.12 -1.61 -3.33 0.00 0.00 175.10 168.23 1t3v s GLU 43 N 5.98 3.18 0.27 1.54 2.02 0.01 -4.96 118.70 126.73 1t3v s GLU 43 Ca 0.42 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 54.46 1t3v s GLU 43 Cb -0.09 -2.61 -0.10 0.00 0.10 0.00 0.00 34.13 31.44 1t3v s GLU 43 CO 0.15 0.35 1.28 -1.21 0.02 0.00 0.00 175.26 175.85 1t3v s GLU 44 N 0.01 4.41 -0.59 1.61 2.02 -1.26 -0.92 118.70 123.97 1t3v s GLU 44 Ca -0.03 2.10 -0.27 0.00 0.02 0.00 0.00 54.97 56.78 1t3v s GLU 44 Cb -0.14 -3.14 0.03 0.00 0.10 0.00 0.00 34.13 30.98 1t3v s GLU 44 CO 0.04 -0.16 1.15 1.21 0.02 0.00 0.00 175.26 177.51 1t3v s ASN 45 N -0.18 6.39 0.28 -0.19 3.04 -0.29 -4.87 114.94 119.12 1t3v s ASN 45 Ca 0.52 -0.07 0.23 0.00 0.04 0.00 0.00 52.86 53.57 1t3v s ASN 45 Cb -0.37 -2.53 1.04 0.00 -1.54 0.00 0.00 41.25 37.85 1t3v s ASN 45 CO 0.45 -1.47 1.69 -0.81 -3.04 0.00 0.00 177.10 173.92 1t3v n PRO 46 N 8.33 0.17 -2.20 0.43 -0.04 -1.26 -2.58 135.00 137.86 1t3v n PRO 46 Ca 0.06 0.50 -0.13 0.00 -0.04 0.00 0.00 63.50 63.90 1t3v n PRO 46 Cb 0.49 -1.90 0.04 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.24 3.45 -0.11 1.53 7.99 -1.26 -4.92 117.00 121.43 1t3v n LEU 47 Ca 0.01 -3.98 0.07 0.00 -0.01 0.00 0.00 56.01 52.10 1t3v n LEU 47 Cb 0.16 -0.05 0.41 0.00 -0.11 0.00 0.00 43.42 43.83 1t3v n LEU 47 CO 0.16 1.62 1.20 0.00 -1.51 0.00 0.00 177.39 178.86 1t3v h ALA 48 N 2.21 1.78 0.00 -1.18 0.00 -1.77 -3.18 119.26 117.13 1t3v h ALA 48 Ca 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1t3v h ALA 48 Cb 1.43 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1t3v h ALA 48 CO 0.48 0.12 -0.49 0.94 0.00 0.00 0.00 179.25 180.30 1t3v n GLN 49 N -4.47 0.00 -4.96 0.00 7.27 -1.26 -4.29 117.38 109.66 1t3v n GLN 49 Ca 0.09 -1.00 -0.32 0.00 0.07 0.00 0.00 57.00 55.83 1t3v n GLN 49 Cb 0.22 -0.25 -0.16 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 -1.00 3.47 0.00 1.69 -1.08 -1.20 -4.65 116.67 113.90 1t3v s ASP 50 Ca 0.06 -0.47 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 1t3v s ASP 50 Cb 0.07 -1.50 0.00 0.00 -1.46 0.00 0.00 42.92 40.04 1t3v s ASP 50 CO -0.03 0.15 0.00 1.41 0.52 0.00 0.00 175.17 177.22 1t3v n HIS 51 N 3.61 0.00 -1.88 -5.34 8.25 -1.26 -4.60 115.22 113.99 1t3v n HIS 51 Ca -0.19 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.10 1t3v n HIS 51 Cb 0.53 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 1t3v n HIS 51 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1t3v n VAL 52 N 0.00 -0.35 0.00 1.59 0.31 -1.26 -4.88 118.33 113.74 1t3v n VAL 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1t3v n VAL 52 Cb 0.00 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 30.91 1t3v n VAL 52 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1t3v n HIS 53 N -2.83 0.00 0.00 3.52 -0.00 -1.26 -4.89 115.22 109.76 1t3v n HIS 53 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 1t3v n HIS 53 Cb 0.61 -0.48 0.00 0.00 -0.00 0.00 0.00 29.99 30.13 1t3v n HIS 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1t3v n GLY 54 N -0.34 0.00 0.00 1.57 0.00 -1.26 -5.04 105.19 100.12 1t3v n GLY 54 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 3.17 -0.09 4.61 0.00 -1.26 -4.22 120.51 122.73 1t3v n ALA 55 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.02 1t3v n ALA 55 Cb 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 0.00 0.36 0.00 0.00 2.07 -1.94 -1.90 116.25 114.84 1t3v h VAL 56 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1t3v h VAL 56 Cb 0.44 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1t3v h VAL 56 CO 0.00 0.00 -0.21 1.55 0.02 0.00 0.00 177.57 178.93 1t3v h PRO 57 N -0.21 0.00 0.00 1.57 0.13 -1.96 -3.12 132.00 128.41 1t3v h PRO 57 Ca 0.17 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 1t3v h PRO 57 Cb 0.47 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 1t3v h PRO 57 CO -0.45 0.21 -0.29 -0.97 -0.23 0.00 0.00 178.00 176.27 1t3v h ASN 58 N 0.00 0.00 0.23 1.44 -1.24 -1.53 -0.99 115.58 113.48 1t3v h ASN 58 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1t3v h ASN 58 Cb 0.79 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1t3v h ASN 58 CO 0.03 0.29 -0.11 0.15 -1.29 0.00 0.00 177.43 176.50 1t3v h PHE 59 N 0.00 -0.28 -0.07 0.67 3.57 -1.38 -3.38 116.94 116.07 1t3v h PHE 59 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1t3v h PHE 59 Cb 0.88 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1t3v h PHE 59 CO 0.00 -0.18 0.07 -0.39 -2.23 0.00 0.00 178.31 175.59 1t3v h VAL 60 N -0.47 0.56 0.00 1.41 -1.51 -1.45 0.82 116.25 115.61 1t3v h VAL 60 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1t3v h VAL 60 Cb 0.23 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1t3v h VAL 60 CO 0.05 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.56 1t3v n LYS 61 N -3.92 0.02 0.07 5.19 4.81 -0.40 -1.06 118.16 122.87 1t3v n LYS 61 Ca -0.01 0.36 0.12 0.00 -0.87 0.00 0.00 58.31 57.90 1t3v n LYS 61 Cb 0.17 -1.54 0.11 0.00 0.02 0.00 0.00 35.03 33.79 1t3v n LYS 61 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1t3v h GLU 62 N 0.00 0.00 -1.21 1.64 -0.00 -1.00 -3.42 114.58 110.59 1t3v h GLU 62 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 59.36 58.94 1t3v h GLU 62 Cb 0.16 0.00 -0.20 0.00 -0.00 0.00 0.00 28.75 28.71 1t3v h GLU 62 CO 0.00 0.00 0.54 1.63 -0.00 0.00 0.00 179.01 181.18 1t3v n LYS 63 N -2.26 2.03 -2.37 1.06 4.76 -0.22 -4.87 118.16 116.29 1t3v n LYS 63 Ca 0.02 -2.15 -0.09 0.00 -2.87 0.00 0.00 58.31 53.23 1t3v n LYS 63 Cb 0.47 -1.84 -0.01 0.00 -1.84 0.00 0.00 35.03 31.81 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 -0.29 -0.40 3.69 0.72 0.00 -1.26 -4.93 105.19 102.72 1t3v n GLY 64 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.40 1.39 0.00 4.61 0.00 -1.26 -4.52 121.76 119.58 1t3v s ALA 65 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1t3v s ALA 65 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1t3v s ALA 65 CO 0.00 -2.50 0.00 0.39 0.00 0.00 0.00 175.76 173.65 1t3v n GLU 66 N -4.00 0.00 -4.25 0.00 1.02 -1.04 -4.83 120.64 107.54 1t3v n GLU 66 Ca 0.07 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.03 1t3v n GLU 66 Cb 0.54 -0.33 -0.11 0.00 -0.02 0.00 0.00 31.44 31.52 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 -2.19 2.42 0.02 -4.62 2.96 0.20 -2.40 118.68 115.06 1t3v s LEU 67 Ca 0.00 -0.83 0.01 0.00 -0.22 0.00 0.00 54.13 53.09 1t3v s LEU 67 Cb 0.00 -0.56 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 1t3v s LEU 67 CO 0.00 -0.15 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.14 1t3v s VAL 68 N -2.22 0.37 -0.18 1.68 1.01 -0.86 -2.21 120.40 117.98 1t3v s VAL 68 Ca 0.10 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1t3v s VAL 68 Cb -0.04 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 35.95 1t3v s VAL 68 CO 0.03 -0.28 -0.10 -0.63 0.00 0.00 0.00 175.10 174.12 1t3v s ILE 69 N -1.04 1.53 0.40 2.22 1.01 0.19 -0.68 121.20 124.83 1t3v s ILE 69 Ca -0.08 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1t3v s ILE 69 Cb -0.08 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1t3v s ILE 69 CO -0.00 0.20 0.07 0.68 0.00 0.00 0.00 174.94 175.89 1t3v s VAL 70 N 1.46 1.03 -0.04 2.92 -7.23 -0.60 -4.18 120.40 113.75 1t3v s VAL 70 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 1t3v s VAL 70 Cb -0.16 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1t3v s VAL 70 CO -0.08 0.00 -0.08 -1.14 -0.31 0.00 0.00 175.10 173.48 1t3v n ARG 71 N -0.91 0.13 -3.21 4.82 0.63 -1.26 -1.10 116.66 115.76 1t3v n ARG 71 Ca -0.07 0.05 -0.23 0.00 -0.92 0.00 0.00 57.85 56.68 1t3v n ARG 71 Cb 0.66 -0.72 -0.06 0.00 0.45 0.00 0.00 32.46 32.79 1t3v n ARG 71 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t3v n GLY 72 N 1.51 3.30 1.43 5.14 0.00 0.63 -2.74 105.19 114.46 1t3v n GLY 72 Ca -0.03 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 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 1.06 0.00 -4.00 -0.61 3.06 -1.26 -4.21 119.36 113.40 1t3v n ILE 73 Ca 0.23 -0.08 -0.09 0.00 -2.50 0.00 0.00 62.75 60.30 1t3v n ILE 73 Cb 0.54 -0.69 -0.06 0.00 0.54 0.00 0.00 39.64 39.97 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 -2.82 0.59 0.43 4.50 0.00 -1.26 -4.94 107.32 103.83 1t3v s GLY 74 Ca 0.30 -0.93 0.17 0.00 0.00 0.00 0.00 44.72 44.25 1t3v s GLY 74 CO 0.24 -0.71 1.91 3.21 0.00 0.00 0.00 173.10 177.75 1t3v h ARG 75 N 2.32 0.38 -0.14 2.90 2.47 -1.99 -0.31 114.38 120.02 1t3v h ARG 75 Ca -0.28 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.46 1t3v h ARG 75 Cb 1.25 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.48 1t3v h ARG 75 CO 0.39 0.25 0.11 0.07 0.56 0.00 0.00 179.97 181.34 1t3v h ARG 76 N 0.39 0.00 0.04 0.04 0.11 -1.99 -0.11 114.38 112.87 1t3v h ARG 76 Ca 0.38 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 60.14 1t3v h ARG 76 Cb 0.92 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.96 1t3v h ARG 76 CO -0.12 0.00 -1.85 0.00 0.10 0.00 0.00 179.97 178.10 1t3v n ALA 77 N -2.53 1.28 -0.22 0.08 0.00 -0.14 -3.89 120.51 115.08 1t3v n ALA 77 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 53.44 52.72 1t3v n ALA 77 Cb 0.23 -0.75 0.12 0.00 0.00 0.00 0.00 19.45 19.05 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 0.03 0.80 0.00 0.00 1.08 -1.22 -0.81 117.51 117.38 1t3v h ILE 78 Ca -0.35 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1t3v h ILE 78 Cb 2.03 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 1t3v h ILE 78 CO 0.08 0.09 0.00 0.00 -0.69 0.00 0.00 178.15 177.63 1t3v h ALA 79 N 1.42 1.00 0.38 1.87 0.00 -1.16 -1.38 119.26 121.39 1t3v h ALA 79 Ca 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1t3v h ALA 79 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1t3v h ALA 79 CO -0.29 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 178.77 1t3v h ALA 80 N 2.01 -0.51 -0.40 0.00 0.00 -1.25 -3.22 119.26 115.88 1t3v h ALA 80 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1t3v h ALA 80 Cb 0.05 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1t3v h ALA 80 CO 0.00 -0.52 0.24 0.74 0.00 0.00 0.00 179.25 179.71 1t3v h PHE 81 N -1.05 0.51 -0.92 0.00 0.04 -1.40 0.59 116.94 114.72 1t3v h PHE 81 Ca -0.05 0.01 0.17 0.00 2.80 0.00 0.00 57.97 60.89 1t3v h PHE 81 Cb 0.50 -0.17 -0.08 0.00 2.20 0.00 0.00 35.95 38.40 1t3v h PHE 81 CO 0.02 0.34 0.59 0.93 -0.60 0.00 0.00 178.31 179.60 1t3v h GLU 82 N 0.54 0.62 0.00 1.51 5.08 -1.38 0.11 114.58 121.07 1t3v h GLU 82 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1t3v h GLU 82 Cb -0.02 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1t3v h GLU 82 CO -0.03 0.41 0.00 0.00 -1.00 0.00 0.00 179.01 178.39 1t3v n ALA 83 N -2.43 1.68 -0.45 3.43 0.00 0.20 -2.97 120.51 119.97 1t3v n ALA 83 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1t3v n ALA 83 Cb 0.55 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.64 0.97 -1.29 0.00 0.00 -0.54 -5.00 117.12 109.61 1t3v n MET 84 Ca 0.03 -0.81 -0.10 0.00 0.00 0.00 0.00 57.70 56.82 1t3v n MET 84 Cb 0.19 -0.77 -0.04 0.00 0.00 0.00 0.00 33.22 32.59 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 -0.19 1.08 3.64 3.17 0.00 -0.36 -4.94 105.19 107.58 1t3v n GLY 85 Ca 0.00 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.15 4.49 0.51 1.61 1.01 0.25 -4.96 120.40 121.16 1t3v s VAL 86 Ca 0.00 1.73 -0.22 0.00 0.00 0.00 0.00 61.98 63.48 1t3v s VAL 86 Cb 0.00 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 1t3v s VAL 86 CO 0.00 -0.43 1.30 -0.75 0.00 0.00 0.00 175.10 175.22 1t3v s LYS 87 N 3.64 3.39 -0.28 2.72 2.20 -1.01 -4.41 119.74 126.00 1t3v s LYS 87 Ca 0.47 2.10 0.02 0.00 -0.36 0.00 0.00 55.97 58.20 1t3v s LYS 87 Cb -0.13 -2.35 0.08 0.00 -1.51 0.00 0.00 37.83 33.92 1t3v s LYS 87 CO 0.15 -0.95 -0.01 0.08 -0.36 0.00 0.00 175.35 174.26 1t3v s VAL 88 N -1.37 1.72 0.25 4.02 1.01 -1.26 -2.02 120.40 122.75 1t3v s VAL 88 Ca 0.68 -1.60 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 1t3v s VAL 88 Cb -0.37 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 33.84 1t3v s VAL 88 CO 0.44 -0.31 0.78 -0.63 0.00 0.00 0.00 175.10 175.39 1t3v s ILE 89 N 1.25 4.47 0.41 2.22 1.01 0.15 -4.62 121.20 126.10 1t3v s ILE 89 Ca 0.00 1.42 0.04 0.00 0.00 0.00 0.00 60.65 62.12 1t3v s ILE 89 Cb -0.19 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1t3v s ILE 89 CO -0.09 0.19 0.05 -0.54 0.00 0.00 0.00 174.94 174.54 1t3v s LYS 90 N -2.00 1.93 -0.05 2.79 1.02 -1.17 -1.56 119.74 120.70 1t3v s LYS 90 Ca 0.45 -2.15 0.00 0.00 0.02 0.00 0.00 55.97 54.29 1t3v s LYS 90 Cb -0.17 -1.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.97 1t3v s LYS 90 CO 0.22 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1t3v n GLY 91 N -0.96 0.43 3.73 -3.33 0.00 -0.26 -4.50 105.19 100.30 1t3v n GLY 91 Ca -0.08 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.84 1.59 -0.08 4.61 0.00 -0.91 -4.96 121.76 120.17 1t3v s ALA 92 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.59 1t3v s ALA 92 Cb 0.00 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 20.00 1t3v s ALA 92 CO 0.00 -2.32 0.60 -1.54 0.00 0.00 0.00 175.76 172.50 1t3v s SER 93 N -3.49 -0.57 0.00 0.00 1.04 -1.26 -4.50 113.70 104.93 1t3v s SER 93 Ca 0.63 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.75 1t3v s SER 93 Cb -0.18 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1t3v s SER 93 CO 0.57 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1t3v n GLY 94 N 1.30 0.66 3.97 7.32 0.00 -1.26 -4.61 105.19 112.57 1t3v n GLY 94 Ca -0.19 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.53 2.02 0.01 2.61 -4.23 -1.26 -1.90 115.64 111.35 1t3v s THR 95 Ca 0.00 -0.28 -0.26 0.00 -1.18 0.00 0.00 61.69 59.96 1t3v s THR 95 Cb 0.00 -2.73 -0.15 0.00 1.34 0.00 0.00 72.50 70.96 1t3v s THR 95 CO 0.00 0.00 1.16 0.58 -0.54 0.00 0.00 174.62 175.82 1t3v h VAL 96 N -1.22 0.23 0.00 2.29 2.07 -0.16 -1.37 116.25 118.10 1t3v h VAL 96 Ca -0.40 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1t3v h VAL 96 Cb 1.24 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1t3v h VAL 96 CO 0.35 0.03 -0.06 1.05 0.02 0.00 0.00 177.57 178.97 1t3v h GLU 97 N -1.08 0.00 0.39 1.57 4.11 -1.76 -0.84 114.58 116.96 1t3v h GLU 97 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1t3v h GLU 97 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1t3v h GLU 97 CO 0.13 0.06 -0.19 1.49 0.07 0.00 0.00 179.01 180.57 1t3v h GLU 98 N 0.00 -0.50 -0.90 1.06 4.81 -1.83 -2.58 114.58 114.65 1t3v h GLU 98 Ca -0.00 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1t3v h GLU 98 Cb 0.43 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 1t3v h GLU 98 CO 0.01 -0.20 0.57 0.28 -0.73 0.00 0.00 179.01 178.94 1t3v h VAL 99 N -0.99 1.10 -0.65 0.32 2.07 -0.48 0.29 116.25 117.91 1t3v h VAL 99 Ca -0.05 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1t3v h VAL 99 Cb 0.53 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1t3v h VAL 99 CO 0.09 0.20 0.31 0.58 0.02 0.00 0.00 177.57 178.76 1t3v h VAL 100 N 1.08 1.22 -0.66 2.57 2.07 -1.31 -1.65 116.25 119.57 1t3v h VAL 100 Ca 0.37 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1t3v h VAL 100 Cb 0.09 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1t3v h VAL 100 CO -0.15 0.26 0.27 -1.13 0.02 0.00 0.00 177.57 176.85 1t3v h ASN 101 N 0.90 0.91 -0.35 0.57 -1.24 -0.52 0.90 115.58 116.75 1t3v h ASN 101 Ca 0.22 -0.17 0.04 0.00 0.71 0.00 0.00 56.30 57.11 1t3v h ASN 101 Cb 0.13 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 38.90 1t3v h ASN 101 CO -0.03 0.83 0.11 1.56 -1.29 0.00 0.00 177.43 178.62 1t3v h GLN 102 N 0.94 0.25 -0.14 6.67 4.20 -0.25 0.23 115.11 127.02 1t3v h GLN 102 Ca 0.22 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.76 1t3v h GLN 102 Cb 0.20 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.93 1t3v h GLN 102 CO -0.02 0.17 -0.54 -0.92 -0.67 0.00 0.00 178.83 176.85 1t3v h TYR 103 N 0.26 0.80 0.00 2.96 3.20 -1.08 -0.79 116.97 122.32 1t3v h TYR 103 Ca 0.16 -0.34 -0.00 0.00 3.14 0.00 0.00 58.73 61.69 1t3v h TYR 103 Cb 0.14 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1t3v h TYR 103 CO -0.15 1.13 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.41 1t3v h LEU 104 N 0.25 0.00 -0.01 2.82 3.38 -0.69 0.15 115.31 121.21 1t3v h LEU 104 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1t3v h LEU 104 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1t3v h LEU 104 CO 0.11 0.02 0.00 -1.20 0.09 0.00 0.00 178.44 177.46 1t3v n SER 105 N -3.15 0.05 0.00 -0.43 7.64 0.06 -4.93 113.62 112.86 1t3v n SER 105 Ca -0.01 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1t3v n SER 105 Cb 0.24 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 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 1.03 0.75 0.30 0.23 0.00 0.54 -4.97 105.19 103.07 1t3v n GLY 106 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 3.64 1.03 -7.36 1.61 4.20 -1.31 -3.47 115.11 113.45 1t3v h GLN 107 Ca 0.00 -0.28 -0.46 0.00 0.06 0.00 0.00 58.65 57.97 1t3v h GLN 107 Cb 0.00 -0.12 0.15 0.00 0.30 0.00 0.00 27.48 27.81 1t3v h GLN 107 CO 0.00 0.97 0.22 -0.51 -0.67 0.00 0.00 178.83 178.84 1t3v s LEU 108 N -9.47 1.83 0.14 1.46 2.01 -1.25 -5.01 118.68 108.39 1t3v s LEU 108 Ca -0.12 1.25 0.04 0.00 0.01 0.00 0.00 54.13 55.31 1t3v s LEU 108 Cb 0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 46.19 42.77 1t3v s LEU 108 CO 0.84 -2.93 -0.10 -0.75 1.01 0.00 0.00 176.35 174.42 1t3v s LYS 109 N -4.99 1.02 -0.31 1.70 2.47 -1.26 -5.04 119.74 113.33 1t3v s LYS 109 Ca 0.65 -1.39 0.17 0.00 -1.56 0.00 0.00 55.97 53.84 1t3v s LYS 109 Cb -0.18 -0.62 0.47 0.00 -1.46 0.00 0.00 37.83 36.04 1t3v s LYS 109 CO 0.57 0.08 1.05 -0.40 0.16 0.00 0.00 175.35 176.81 1t3v n ASP 110 N -0.02 2.20 -4.31 1.43 5.75 -1.26 -3.03 116.55 117.31 1t3v n ASP 110 Ca -0.12 -2.69 -0.38 0.00 -0.01 0.00 0.00 54.79 51.60 1t3v n ASP 110 Cb 0.60 -0.49 0.03 0.00 -1.03 0.00 0.00 41.12 40.23 1t3v n ASP 110 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1t3v n SER 111 N -0.36 -2.91 -3.71 -1.12 7.64 -1.26 -4.94 113.62 106.96 1t3v n SER 111 Ca 0.15 0.60 -0.17 0.00 1.01 0.00 0.00 58.87 60.46 1t3v n SER 111 Cb 0.81 -0.98 -0.16 0.00 -1.01 0.00 0.00 64.21 62.86 1t3v n SER 111 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1t3v s ASP 112 N -1.13 0.54 -0.25 6.43 -4.77 -1.26 -4.94 116.67 111.28 1t3v s ASP 112 Ca 0.59 0.15 -0.07 0.00 -3.30 0.00 0.00 52.55 49.91 1t3v s ASP 112 Cb -0.42 0.01 -0.03 0.00 -1.09 0.00 0.00 42.92 41.39 1t3v s ASP 112 CO 0.64 -0.20 0.07 -0.47 0.70 0.00 0.00 175.17 175.92 1t3v s TYR 113 N 1.69 3.09 0.38 2.11 6.14 -1.26 -5.08 117.35 124.42 1t3v s TYR 113 Ca -0.02 -0.42 -0.26 0.00 0.64 0.00 0.00 57.07 57.00 1t3v s TYR 113 Cb -0.12 -2.24 -0.09 0.00 0.42 0.00 0.00 41.96 39.93 1t3v s TYR 113 CO -0.04 -0.36 1.20 -1.83 0.64 0.00 0.00 175.55 175.16 1t3v s GLU 114 N 1.62 4.14 -0.78 4.97 -1.05 -1.26 -4.19 118.70 122.14 1t3v s GLU 114 Ca 0.06 1.94 -0.20 0.00 -0.15 0.00 0.00 54.97 56.63 1t3v s GLU 114 Cb -0.15 -2.79 0.03 0.00 -0.44 0.00 0.00 34.13 30.77 1t3v s GLU 114 CO 0.04 -0.28 0.37 0.28 0.95 0.00 0.00 175.26 176.62 1t3v n VAL 115 N 0.29 -1.49 0.00 1.83 0.31 -1.26 -3.05 118.33 114.96 1t3v n VAL 115 Ca 0.03 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1t3v n VAL 115 Cb 0.45 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 1t3v n VAL 115 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1t3v n HIS 116 N -3.49 0.00 0.00 3.52 -0.00 -1.26 -3.57 115.22 110.42 1t3v n HIS 116 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 1t3v n HIS 116 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 1t3v n HIS 116 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1t3v n ASP 117 N 0.63 0.00 0.00 0.26 2.03 -1.17 -4.91 116.55 113.39 1t3v n ASP 117 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1t3v n ASP 117 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1t3v n ASP 117 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1t3v n HIS 118 N -0.78 0.00 -2.95 -0.67 -0.00 -1.23 -4.97 115.22 104.61 1t3v n HIS 118 Ca 0.00 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.84 1t3v n HIS 118 Cb 0.00 -0.77 -0.07 0.00 -0.12 0.00 0.00 29.99 29.03 1t3v n HIS 118 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1t3v s HIS 119 N -2.02 3.44 0.51 1.57 5.04 -1.26 -4.83 115.29 117.73 1t3v s HIS 119 Ca 0.00 1.48 0.00 0.00 -1.54 0.00 0.00 55.06 55.00 1t3v s HIS 119 Cb 0.00 -2.73 0.00 0.00 0.04 0.00 0.00 32.58 29.89 1t3v s HIS 119 CO 0.00 0.07 0.00 0.72 -2.34 0.00 0.00 174.74 173.19 1t3v n HIS 120 N -0.18 -3.48 -4.05 3.88 8.25 -1.26 -5.06 115.22 113.32 1t3v n HIS 120 Ca 0.04 1.87 -0.08 0.00 -0.26 0.00 0.00 57.72 59.29 1t3v n HIS 120 Cb 0.53 -3.17 -0.09 0.00 1.12 0.00 0.00 29.99 28.38 1t3v n HIS 120 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1t3v s HIS 121 N -3.82 0.51 -0.16 4.41 3.76 -1.26 -5.10 115.29 113.63 1t3v s HIS 121 Ca 0.00 -1.00 0.18 0.00 -0.15 0.00 0.00 55.06 54.09 1t3v s HIS 121 Cb 0.00 -0.33 -0.26 0.00 1.11 0.00 0.00 32.58 33.10 1t3v s HIS 121 CO 0.00 -0.45 0.14 -0.85 -0.85 0.00 0.00 174.74 172.74 1t3v n GLU 122 N 0.03 0.78 0.00 1.40 0.28 -1.26 -5.00 120.64 116.87 1t3v n GLU 122 Ca -0.12 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 1t3v n GLU 122 Cb 0.62 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.99 1t3v n GLU 122 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1t3v n HIS 123 N -2.63 0.00 -1.75 -1.84 -0.00 -1.26 -5.38 115.22 102.37 1t3v n HIS 123 Ca -0.26 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.92 1t3v n HIS 123 Cb 1.02 -0.17 0.00 0.00 -0.12 0.00 0.00 29.99 30.72 1t3v n HIS 123 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38