#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ve0 s ILE 3 N 0.00 0.98 -0.10 3.15 1.01 -1.26 -2.40 121.20 122.58 1ve0 s ILE 3 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1ve0 s ILE 3 Cb 0.00 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1ve0 s ILE 3 CO 0.00 0.30 -0.09 -0.63 0.00 0.00 0.00 174.94 174.52 1ve0 s ILE 4 N 1.72 3.52 -0.16 2.92 -1.09 0.28 -4.98 121.20 123.41 1ve0 s ILE 4 Ca 0.04 -0.53 -0.01 0.00 -2.23 0.00 0.00 60.65 57.92 1ve0 s ILE 4 Cb -0.13 -2.46 0.04 0.00 -1.58 0.00 0.00 42.46 38.33 1ve0 s ILE 4 CO -0.08 0.56 -0.02 -0.44 -1.23 0.00 0.00 174.94 173.73 1ve0 s SER 5 N -0.29 2.64 -0.02 3.58 0.01 -1.26 -0.28 113.70 118.09 1ve0 s SER 5 Ca 0.04 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 56.67 1ve0 s SER 5 Cb -0.13 -0.74 0.01 0.00 0.21 0.00 0.00 66.02 65.38 1ve0 s SER 5 CO 0.03 -0.22 0.04 -0.54 0.41 0.00 0.00 173.24 172.95 1ve0 s LYS 6 N 1.76 0.02 0.13 12.44 1.02 -0.57 -5.00 119.74 129.53 1ve0 s LYS 6 Ca 0.01 0.10 0.09 0.00 0.02 0.00 0.00 55.97 56.19 1ve0 s LYS 6 Cb -0.15 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.06 1ve0 s LYS 6 CO -0.07 -0.05 -0.18 -1.21 -0.92 0.00 0.00 175.35 172.91 1ve0 s GLU 7 N 0.33 1.77 0.08 1.68 2.02 -1.26 -0.21 118.70 123.10 1ve0 s GLU 7 Ca -0.03 -1.22 -0.08 0.00 0.02 0.00 0.00 54.97 53.67 1ve0 s GLU 7 Cb -0.04 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 1ve0 s GLU 7 CO -0.01 0.47 0.16 -0.59 0.02 0.00 0.00 175.26 175.31 1ve0 s PHE 8 N -1.21 0.19 0.18 1.61 -0.12 -0.63 -4.98 117.98 113.01 1ve0 s PHE 8 Ca 0.18 -0.61 0.10 0.00 -0.05 0.00 0.00 56.93 56.55 1ve0 s PHE 8 Cb -0.10 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 1ve0 s PHE 8 CO 0.10 -0.51 -0.18 0.95 -0.05 0.00 0.00 175.22 175.53 1ve0 s THR 9 N -3.74 2.69 0.00 -4.49 -4.23 -1.26 -0.21 115.64 104.41 1ve0 s THR 9 Ca 0.04 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 1ve0 s THR 9 Cb 0.05 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 1ve0 s THR 9 CO -0.10 -0.08 -0.04 0.68 -0.54 0.00 0.00 174.62 174.54 1ve0 s VAL 10 N -1.60 0.27 -0.30 2.29 -7.23 -0.03 -4.96 120.40 108.84 1ve0 s VAL 10 Ca 0.22 -0.30 -0.13 0.00 -1.81 0.00 0.00 61.98 59.96 1ve0 s VAL 10 Cb -0.09 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 1ve0 s VAL 10 CO 0.12 -0.02 0.29 -0.75 -0.31 0.00 0.00 175.10 174.43 1ve0 s LYS 11 N -0.34 3.80 0.22 4.82 2.36 -1.26 -0.33 119.74 129.01 1ve0 s LYS 11 Ca -0.01 -0.29 -0.23 0.00 -2.55 0.00 0.00 55.97 52.89 1ve0 s LYS 11 Cb -0.03 -3.72 -0.08 0.00 -1.05 0.00 0.00 37.83 32.95 1ve0 s LYS 11 CO -0.00 -0.34 0.78 0.95 1.55 0.00 0.00 175.35 178.30 1ve0 s THR 12 N 1.91 4.42 -2.93 3.43 -4.23 0.77 -4.95 115.64 114.07 1ve0 s THR 12 Ca 0.10 1.55 0.24 0.00 -1.18 0.00 0.00 61.69 62.40 1ve0 s THR 12 Cb -0.16 -4.00 0.23 0.00 1.34 0.00 0.00 72.50 69.91 1ve0 s THR 12 CO 0.11 0.32 1.30 0.54 -0.54 0.00 0.00 174.62 176.35 1ve0 n ARG 13 N 1.04 2.32 -3.87 3.99 1.74 -1.26 -3.13 116.66 117.48 1ve0 n ARG 13 Ca -0.03 -1.92 -0.09 0.00 -0.77 0.00 0.00 57.85 55.04 1ve0 n ARG 13 Cb 0.50 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1ve0 n ARG 13 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ve0 s SER 14 N -1.95 0.04 0.08 0.55 0.15 -1.26 -4.82 113.70 106.49 1ve0 s SER 14 Ca 0.29 -1.04 -0.23 0.00 0.70 0.00 0.00 55.95 55.68 1ve0 s SER 14 Cb 0.20 0.78 -0.14 0.00 -1.71 0.00 0.00 66.02 65.15 1ve0 s SER 14 CO 0.30 -1.52 1.68 -0.09 1.20 0.00 0.00 173.24 174.82 1ve0 h ARG 15 N 2.03 0.06 -5.12 5.44 2.43 -1.93 -3.13 114.38 114.16 1ve0 h ARG 15 Ca -0.28 -0.01 -0.64 0.00 -0.81 0.00 0.00 59.98 58.24 1ve0 h ARG 15 Cb 1.25 -0.01 -0.22 0.00 -0.42 0.00 0.00 29.97 30.56 1ve0 h ARG 15 CO 0.36 0.11 -0.65 -0.06 -1.51 0.00 0.00 179.97 178.22 1ve0 s PHE 16 N -5.91 3.06 0.08 2.20 0.08 -1.26 -0.92 117.98 115.31 1ve0 s PHE 16 Ca -0.13 -0.40 -0.16 0.00 0.12 0.00 0.00 56.93 56.36 1ve0 s PHE 16 Cb 0.06 -2.10 0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1ve0 s PHE 16 CO 0.67 -0.21 0.37 0.34 -0.10 0.00 0.00 175.22 176.28 1ve0 s ASP 17 N 1.00 -0.19 -0.03 1.36 2.15 -0.77 -4.97 116.67 115.21 1ve0 s ASP 17 Ca 0.02 -0.24 -0.00 0.00 0.43 0.00 0.00 52.55 52.76 1ve0 s ASP 17 Cb -0.14 0.43 0.03 0.00 -0.30 0.00 0.00 42.92 42.93 1ve0 s ASP 17 CO 0.02 -0.75 0.01 -0.94 -0.17 0.00 0.00 175.17 173.34 1ve0 s SER 18 N -2.46 0.60 -0.07 -0.34 1.04 -1.26 -0.27 113.70 110.94 1ve0 s SER 18 Ca -0.00 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.44 1ve0 s SER 18 Cb 0.01 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.93 1ve0 s SER 18 CO -0.08 -0.14 -0.12 -0.63 0.98 0.00 0.00 173.24 173.26 1ve0 s ILE 19 N 1.29 1.12 -0.39 -1.02 1.01 -0.38 -4.97 121.20 117.86 1ve0 s ILE 19 Ca -0.06 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 1ve0 s ILE 19 Cb -0.13 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.32 1ve0 s ILE 19 CO -0.02 0.35 1.24 -0.62 0.00 0.00 0.00 174.94 175.89 1ve0 s ASP 20 N 0.74 6.62 -0.09 3.58 -1.08 -1.26 -0.63 116.67 124.54 1ve0 s ASP 20 Ca -0.13 0.85 0.14 0.00 -0.52 0.00 0.00 52.55 52.89 1ve0 s ASP 20 Cb -0.16 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.23 1ve0 s ASP 20 CO 0.03 -1.19 1.39 2.30 0.52 0.00 0.00 175.17 178.21 1ve0 n ILE 21 N 6.58 1.64 -0.18 4.11 -5.35 0.05 -4.73 119.36 121.48 1ve0 n ILE 21 Ca 0.14 -1.36 -0.01 0.00 -0.27 0.00 0.00 62.75 61.25 1ve0 n ILE 21 Cb 0.48 0.15 0.08 0.00 -1.74 0.00 0.00 39.64 38.61 1ve0 n ILE 21 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ve0 h THR 22 N 2.34 0.60 -0.67 7.28 2.02 -1.89 -1.73 112.91 120.86 1ve0 h THR 22 Ca 0.00 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1ve0 h THR 22 Cb 1.14 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1ve0 h THR 22 CO 0.13 0.03 0.44 -0.33 0.37 0.00 0.00 175.52 176.16 1ve0 h GLU 23 N 0.16 0.87 -0.37 6.66 4.39 -1.93 -0.29 114.58 124.07 1ve0 h GLU 23 Ca 0.28 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.86 1ve0 h GLU 23 Cb 0.43 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1ve0 h GLU 23 CO -0.43 0.58 -0.07 1.96 -1.16 0.00 0.00 179.01 179.88 1ve0 h GLN 24 N 0.90 0.62 -0.24 2.33 7.50 -1.79 -2.47 115.11 121.96 1ve0 h GLN 24 Ca 0.25 -0.17 -0.15 0.00 0.50 0.00 0.00 58.65 59.08 1ve0 h GLN 24 Cb -0.09 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.36 1ve0 h GLN 24 CO -0.06 0.70 -0.46 0.28 -1.50 0.00 0.00 178.83 177.79 1ve0 h VAL 25 N 0.58 1.30 -0.15 -0.54 2.07 -0.72 -2.04 116.25 116.75 1ve0 h VAL 25 Ca 0.11 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 65.94 1ve0 h VAL 25 Cb 0.48 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1ve0 h VAL 25 CO 0.03 0.53 -0.06 0.77 0.02 0.00 0.00 177.57 178.85 1ve0 h SER 26 N 0.50 0.21 -0.13 0.57 4.64 -0.63 -2.11 113.55 116.60 1ve0 h SER 26 Ca 0.03 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1ve0 h SER 26 Cb 1.00 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1ve0 h SER 26 CO 0.09 0.30 -0.76 -0.33 -0.87 0.00 0.00 176.83 175.26 1ve0 h GLU 27 N 0.22 0.74 0.00 4.77 4.39 -1.27 -3.27 114.58 120.16 1ve0 h GLU 27 Ca 0.05 -0.63 -0.00 0.00 0.34 0.00 0.00 59.36 59.12 1ve0 h GLU 27 Cb 0.25 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1ve0 h GLU 27 CO 0.01 1.23 -0.01 0.00 -1.16 0.00 0.00 179.01 179.08 1ve0 h ALA 28 N 0.52 1.02 -0.00 3.43 0.00 -0.72 -2.77 119.26 120.74 1ve0 h ALA 28 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ve0 h ALA 28 Cb 1.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ve0 h ALA 28 CO 0.16 0.01 -0.33 0.44 0.00 0.00 0.00 179.25 179.53 1ve0 n ILE 29 N -3.13 0.00 -1.64 0.00 -5.35 -0.95 -4.65 119.36 103.64 1ve0 n ILE 29 Ca -0.01 -0.01 -0.52 0.00 -0.27 0.00 0.00 62.75 61.93 1ve0 n ILE 29 Cb 0.19 0.03 -0.06 0.00 -1.74 0.00 0.00 39.64 38.06 1ve0 n ILE 29 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1ve0 n LYS 30 N -1.43 1.33 0.00 6.28 5.02 -1.05 -1.66 118.16 126.66 1ve0 n LYS 30 Ca 0.07 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1ve0 n LYS 30 Cb 0.33 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 1ve0 n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ve0 n GLY 31 N 3.16 0.93 3.59 0.72 0.00 -1.26 -5.04 105.19 107.31 1ve0 n GLY 31 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1ve0 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ve0 s ILE 32 N -0.83 4.46 -0.22 -0.61 -1.09 -0.66 -4.99 121.20 117.27 1ve0 s ILE 32 Ca 0.00 -0.16 -0.03 0.00 -2.23 0.00 0.00 60.65 58.23 1ve0 s ILE 32 Cb 0.00 -2.98 -0.20 0.00 -1.58 0.00 0.00 42.46 37.70 1ve0 s ILE 32 CO 0.00 0.48 -0.04 -3.20 -1.23 0.00 0.00 174.94 170.96 1ve0 n ASN 33 N 3.42 2.02 -3.71 3.58 2.85 0.97 -4.34 115.26 120.03 1ve0 n ASN 33 Ca -0.17 0.04 -0.16 0.00 -0.11 0.00 0.00 54.58 54.18 1ve0 n ASN 33 Cb 0.52 -0.61 -0.16 0.00 1.24 0.00 0.00 39.78 40.77 1ve0 n ASN 33 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1ve0 s ASN 34 N -6.79 0.36 0.00 1.20 3.04 -0.90 -0.18 114.94 111.68 1ve0 s ASN 34 Ca -0.31 0.24 0.00 0.00 0.04 0.00 0.00 52.86 52.83 1ve0 s ASN 34 Cb 0.09 0.13 0.00 0.00 -1.54 0.00 0.00 41.25 39.93 1ve0 s ASN 34 CO 0.64 -0.19 0.00 0.61 -3.04 0.00 0.00 177.10 175.12 1ve0 n GLY 35 N 4.71 -0.59 3.01 1.21 0.00 -0.52 -0.92 105.19 112.09 1ve0 n GLY 35 Ca -0.17 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 1ve0 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ve0 s ILE 36 N -4.00 0.83 -0.21 -0.61 -1.09 -1.26 -0.81 121.20 114.04 1ve0 s ILE 36 Ca 0.00 -0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 57.97 1ve0 s ILE 36 Cb 0.00 -0.73 -0.03 0.00 -1.58 0.00 0.00 42.46 40.12 1ve0 s ILE 36 CO 0.00 0.26 0.03 0.00 -1.23 0.00 0.00 174.94 173.99 1ve0 s ALA 37 N 0.16 3.11 -0.35 9.38 0.00 0.08 -4.28 121.76 129.87 1ve0 s ALA 37 Ca -0.03 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 1ve0 s ALA 37 Cb -0.09 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1ve0 s ALA 37 CO 0.01 -0.18 0.21 -1.01 0.00 0.00 0.00 175.76 174.79 1ve0 s HIS 38 N 1.05 3.22 -0.41 0.00 3.76 -0.10 -1.02 115.29 121.79 1ve0 s HIS 38 Ca 0.03 -0.62 -0.19 0.00 -0.15 0.00 0.00 55.06 54.13 1ve0 s HIS 38 Cb -0.14 -2.44 0.02 0.00 1.11 0.00 0.00 32.58 31.12 1ve0 s HIS 38 CO 0.02 -0.52 0.53 0.08 -0.85 0.00 0.00 174.74 174.01 1ve0 s VAL 39 N 1.63 4.97 0.00 -0.90 1.01 -0.29 -1.47 120.40 125.35 1ve0 s VAL 39 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.07 1ve0 s VAL 39 Cb -0.18 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 1ve0 s VAL 39 CO 0.08 -0.45 -0.19 -0.63 0.00 0.00 0.00 175.10 173.91 1ve0 s ILE 40 N 2.46 1.52 -0.05 2.22 1.01 0.11 -1.89 121.20 126.58 1ve0 s ILE 40 Ca 0.18 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.97 1ve0 s ILE 40 Cb -0.15 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1ve0 s ILE 40 CO 0.16 0.35 -0.18 0.68 0.00 0.00 0.00 174.94 175.95 1ve0 s VAL 41 N -0.54 2.69 -0.39 2.92 -7.23 -0.59 0.46 120.40 117.72 1ve0 s VAL 41 Ca 0.07 -0.86 0.05 0.00 -1.81 0.00 0.00 61.98 59.44 1ve0 s VAL 41 Cb -0.08 -2.03 0.48 0.00 0.56 0.00 0.00 36.38 35.32 1ve0 s VAL 41 CO -0.00 0.58 1.47 0.29 -0.31 0.00 0.00 175.10 177.13 1ve0 n LYS 42 N 2.48 2.57 -3.92 4.82 5.02 -1.26 -4.87 118.16 123.00 1ve0 n LYS 42 Ca -0.17 -2.00 -0.21 0.00 -2.02 0.00 0.00 58.31 53.92 1ve0 n LYS 42 Cb 0.52 -1.87 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1ve0 n LYS 42 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ve0 s HIS 43 N -2.14 3.38 -0.77 2.13 3.76 -1.26 -5.04 115.29 115.34 1ve0 s HIS 43 Ca 0.36 -0.05 0.08 0.00 -0.15 0.00 0.00 55.06 55.30 1ve0 s HIS 43 Cb 0.29 -1.61 0.01 0.00 1.11 0.00 0.00 32.58 32.38 1ve0 s HIS 43 CO 0.09 0.39 0.58 0.25 -0.85 0.00 0.00 174.74 175.20 1ve0 n THR 44 N -1.42 0.00 -0.74 1.30 -2.24 -1.26 -4.65 114.28 105.27 1ve0 n THR 44 Ca -0.08 -0.43 0.06 0.00 -2.27 0.00 0.00 64.05 61.34 1ve0 n THR 44 Cb 0.57 1.10 0.08 0.00 -2.10 0.00 0.00 70.33 69.99 1ve0 n THR 44 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ve0 n THR 45 N -0.21 1.46 -4.07 4.28 -2.24 -1.26 -4.24 114.28 108.00 1ve0 n THR 45 Ca 0.03 -1.68 -0.07 0.00 -2.27 0.00 0.00 64.05 60.06 1ve0 n THR 45 Cb 0.17 0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.38 1ve0 n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ve0 s ALA 47 N -3.59 1.57 -0.06 0.00 0.00 0.02 -4.80 121.76 114.90 1ve0 s ALA 47 Ca 0.04 -1.80 0.06 0.00 0.00 0.00 0.00 51.96 50.26 1ve0 s ALA 47 Cb 0.06 1.20 -0.01 0.00 0.00 0.00 0.00 23.12 24.36 1ve0 s ALA 47 CO -0.09 -0.52 -0.24 0.42 0.00 0.00 0.00 175.76 175.33 1ve0 s ILE 48 N -3.87 2.01 0.09 0.00 -1.09 -1.16 -0.50 121.20 116.67 1ve0 s ILE 48 Ca 0.38 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 1ve0 s ILE 48 Cb 0.07 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.21 1ve0 s ILE 48 CO 0.14 0.56 -0.06 0.27 -1.23 0.00 0.00 174.94 174.62 1ve0 s ILE 49 N -0.09 0.61 -0.28 2.92 -4.36 -0.73 -4.62 121.20 114.66 1ve0 s ILE 49 Ca -0.05 -1.85 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 1ve0 s ILE 49 Cb -0.14 -1.57 0.05 0.00 1.25 0.00 0.00 42.46 42.05 1ve0 s ILE 49 CO 0.04 -0.85 -0.06 -0.63 0.24 0.00 0.00 174.94 173.68 1ve0 s ILE 50 N -3.48 2.58 0.00 8.37 -1.09 -1.26 -1.09 121.20 125.24 1ve0 s ILE 50 Ca 0.09 -1.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.02 1ve0 s ILE 50 Cb 0.04 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 1ve0 s ILE 50 CO -0.05 -0.05 0.00 -3.20 -1.23 0.00 0.00 174.94 170.41 1ve0 n ASN 51 N 4.53 0.00 -4.72 3.58 2.85 -0.51 -4.86 115.26 116.13 1ve0 n ASN 51 Ca -0.14 -0.58 -0.40 0.00 -0.11 0.00 0.00 54.58 53.35 1ve0 n ASN 51 Cb 0.43 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.40 1ve0 n ASN 51 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1ve0 s GLU 52 N -0.73 4.46 -0.42 1.20 2.12 -1.20 -0.43 118.70 123.70 1ve0 s GLU 52 Ca 0.00 0.99 -0.01 0.00 0.36 0.00 0.00 54.97 56.31 1ve0 s GLU 52 Cb 0.00 -3.43 0.28 0.00 0.26 0.00 0.00 34.13 31.24 1ve0 s GLU 52 CO 0.00 0.09 2.03 0.00 -0.54 0.00 0.00 175.26 176.84 1ve0 n ALA 53 N 3.60 5.48 -1.77 6.30 0.00 -1.26 -4.89 120.51 127.97 1ve0 n ALA 53 Ca -0.01 -2.19 -0.38 0.00 0.00 0.00 0.00 53.44 50.87 1ve0 n ALA 53 Cb 0.51 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 1ve0 n ALA 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ve0 s GLU 54 N -2.40 3.85 0.20 0.00 -6.30 -1.26 -4.93 118.70 107.86 1ve0 s GLU 54 Ca 0.41 1.85 -0.19 0.00 -2.50 0.00 0.00 54.97 54.54 1ve0 s GLU 54 Cb 0.32 -2.53 0.16 0.00 0.00 0.00 0.00 34.13 32.08 1ve0 s GLU 54 CO -0.01 -0.49 1.59 1.03 0.02 0.00 0.00 175.26 177.40 1ve0 h SER 55 N 2.28 -1.10 -0.40 -1.70 0.87 -2.06 -2.37 113.55 109.08 1ve0 h SER 55 Ca -0.49 0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.26 1ve0 h SER 55 Cb 1.24 0.56 -0.02 0.00 -0.44 0.00 0.00 62.40 63.75 1ve0 h SER 55 CO 0.61 -0.29 0.10 1.23 -0.53 0.00 0.00 176.83 177.95 1ve0 h GLY 56 N -0.13 0.68 -4.01 5.77 0.00 -1.99 -3.19 103.07 100.20 1ve0 h GLY 56 Ca 0.26 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1ve0 h GLY 56 CO -0.71 0.40 0.03 -0.10 0.00 0.00 0.00 176.54 176.16 1ve0 n LEU 57 N -4.57 0.25 0.00 3.11 7.94 -0.89 -1.14 117.00 121.70 1ve0 n LEU 57 Ca -0.00 -0.14 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 1ve0 n LEU 57 Cb 0.20 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1ve0 n LEU 57 CO 0.38 0.02 0.00 0.29 -1.11 0.00 0.00 177.39 176.97 1ve0 n LYS 59 N 2.03 0.00 -0.27 1.96 5.02 -1.21 -1.41 118.16 124.29 1ve0 n LYS 59 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1ve0 n LYS 59 Cb 0.02 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.24 1ve0 n LYS 59 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ve0 h ASP 60 N 0.00 0.34 -0.62 4.39 3.45 -1.45 -0.20 116.42 122.33 1ve0 h ASP 60 Ca 0.00 0.11 0.07 0.00 0.43 0.00 0.00 57.03 57.64 1ve0 h ASP 60 Cb 0.00 0.07 -0.06 0.00 -0.56 0.00 0.00 39.33 38.78 1ve0 h ASP 60 CO 0.00 0.13 0.31 -0.26 -1.57 0.00 0.00 179.24 177.85 1ve0 h PHE 61 N 0.49 0.56 -0.09 4.55 0.04 -1.53 0.14 116.94 121.10 1ve0 h PHE 61 Ca 0.43 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 61.19 1ve0 h PHE 61 Cb 0.66 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 1ve0 h PHE 61 CO -0.15 0.23 -0.12 -0.07 -0.60 0.00 0.00 178.31 177.61 1ve0 h LEU 62 N 0.56 0.25 -1.17 1.54 3.38 -1.63 -1.70 115.31 116.54 1ve0 h LEU 62 Ca 0.29 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1ve0 h LEU 62 Cb 0.25 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1ve0 h LEU 62 CO -0.22 0.72 0.06 0.78 0.09 0.00 0.00 178.44 179.87 1ve0 h ASN 63 N -0.21 0.59 1.05 -0.43 2.35 -0.80 -0.46 115.58 117.67 1ve0 h ASN 63 Ca 0.01 -0.10 -0.17 0.00 -0.55 0.00 0.00 56.30 55.49 1ve0 h ASN 63 Cb 0.66 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1ve0 h ASN 63 CO 0.03 0.62 -0.79 -0.50 -1.65 0.00 0.00 177.43 175.14 1ve0 h TRP 64 N 0.61 0.00 -0.46 1.19 4.06 -0.76 -1.55 115.95 119.04 1ve0 h TRP 64 Ca 0.13 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.05 1ve0 h TRP 64 Cb 0.30 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 1ve0 h TRP 64 CO 0.01 0.79 0.16 0.00 -3.56 0.00 0.00 178.44 175.84 1ve0 h ALA 65 N 1.21 0.60 -0.32 1.49 0.00 -0.81 -0.24 119.26 121.19 1ve0 h ALA 65 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ve0 h ALA 65 Cb 1.53 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1ve0 h ALA 65 CO 0.10 0.24 0.06 0.87 0.00 0.00 0.00 179.25 180.52 1ve0 h LYS 66 N 0.61 0.47 -0.29 0.00 1.57 -0.93 -1.03 116.57 116.97 1ve0 h LYS 66 Ca 0.15 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 1ve0 h LYS 66 Cb 0.24 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1ve0 h LYS 66 CO -0.01 0.45 -0.51 0.87 -0.57 0.00 0.00 179.45 179.68 1ve0 h LYS 67 N 0.46 0.84 -0.21 3.15 1.57 -0.55 -2.16 116.57 119.67 1ve0 h LYS 67 Ca 0.11 -0.51 -0.17 0.00 -1.87 0.00 0.00 60.65 58.21 1ve0 h LYS 67 Cb 0.21 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ve0 h LYS 67 CO -0.00 1.15 -0.52 -0.07 -0.57 0.00 0.00 179.45 179.44 1ve0 h LEU 68 N 0.65 0.82 -6.61 2.94 3.38 -0.71 -3.39 115.31 112.40 1ve0 h LEU 68 Ca 0.02 -0.57 -0.60 0.00 0.09 0.00 0.00 57.88 56.83 1ve0 h LEU 68 Cb 1.11 -0.24 -0.39 0.00 0.09 0.00 0.00 40.66 41.23 1ve0 h LEU 68 CO 0.11 1.24 -0.84 -0.69 0.09 0.00 0.00 178.44 178.35 1ve0 s VAL 69 N -3.99 1.17 0.06 1.22 1.01 -0.42 -5.11 120.40 114.33 1ve0 s VAL 69 Ca -0.12 -3.15 -0.36 0.00 0.00 0.00 0.00 61.98 58.36 1ve0 s VAL 69 Cb 0.08 -1.79 -0.15 0.00 0.00 0.00 0.00 36.38 34.52 1ve0 s VAL 69 CO 0.86 -1.15 1.54 -2.65 0.00 0.00 0.00 175.10 173.70 1ve0 n PRO 70 N 2.60 1.66 0.29 2.72 -0.02 -0.81 -4.62 135.00 136.83 1ve0 n PRO 70 Ca 0.26 0.60 0.14 0.00 -2.02 0.00 0.00 63.50 62.48 1ve0 n PRO 70 Cb 0.43 -2.32 0.89 0.00 -0.02 0.00 0.00 33.50 32.48 1ve0 n PRO 70 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ve0 h PRO 71 N 5.91 0.00 -0.11 0.52 0.11 -1.94 0.23 132.00 136.72 1ve0 h PRO 71 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ve0 h PRO 71 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1ve0 h PRO 71 CO 0.86 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.40 1ve0 n ASP 72 N -3.92 1.26 -4.08 -2.05 8.00 -1.26 -4.84 116.55 109.67 1ve0 n ASP 72 Ca -0.03 -1.61 -0.30 0.00 0.71 0.00 0.00 54.79 53.56 1ve0 n ASP 72 Cb 0.08 -0.07 0.22 0.00 -0.02 0.00 0.00 41.12 41.34 1ve0 n ASP 72 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ve0 s GLY 73 N -1.62 1.57 -0.26 0.44 0.00 0.82 -4.99 107.32 103.29 1ve0 s GLY 73 Ca 0.32 -0.77 -0.24 0.00 0.00 0.00 0.00 44.72 44.04 1ve0 s GLY 73 CO 0.26 0.04 0.80 1.85 0.00 0.00 0.00 173.10 176.05 1ve0 s GLU 74 N -5.25 4.12 -0.05 2.90 2.12 -1.26 -5.03 118.70 116.24 1ve0 s GLU 74 Ca 0.69 0.81 -0.01 0.00 0.36 0.00 0.00 54.97 56.82 1ve0 s GLU 74 Cb -0.13 -3.67 0.03 0.00 0.26 0.00 0.00 34.13 30.62 1ve0 s GLU 74 CO 0.57 -0.55 0.01 -0.06 -0.54 0.00 0.00 175.26 174.68 1ve0 s PHE 75 N 2.85 0.45 0.45 5.30 0.08 -1.26 -5.01 117.98 120.83 1ve0 s PHE 75 Ca 0.33 -0.03 0.25 0.00 0.12 0.00 0.00 56.93 57.61 1ve0 s PHE 75 Cb -0.15 -0.62 1.43 0.00 -0.57 0.00 0.00 43.02 43.11 1ve0 s PHE 75 CO 0.09 -0.24 2.09 0.93 -0.10 0.00 0.00 175.22 177.99 1ve0 h GLU 76 N 8.01 0.00 -0.16 0.44 5.08 -1.99 -1.86 114.58 124.10 1ve0 h GLU 76 Ca -0.25 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 1ve0 h GLU 76 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1ve0 h GLU 76 CO 0.30 0.11 -0.17 1.25 -1.00 0.00 0.00 179.01 179.51 1ve0 h HIS 77 N 0.00 0.27 0.00 4.33 2.76 -1.95 -2.93 115.15 117.64 1ve0 h HIS 77 Ca -0.00 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1ve0 h HIS 77 Cb 0.28 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1ve0 h HIS 77 CO 0.00 0.42 0.00 0.09 -1.30 0.00 0.00 177.93 177.14 1ve0 n ASN 78 N -4.23 0.00 0.14 3.26 4.13 -0.70 -0.39 115.26 117.46 1ve0 n ASN 78 Ca -0.01 0.02 -0.01 0.00 1.68 0.00 0.00 54.58 56.26 1ve0 n ASN 78 Cb 0.30 -0.10 0.17 0.00 -1.54 0.00 0.00 39.78 38.60 1ve0 n ASN 78 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1ve0 h ILE 79 N 0.00 1.41 0.01 2.41 2.04 -1.70 -3.32 117.51 118.35 1ve0 h ILE 79 Ca 0.00 -2.15 -0.39 0.00 1.00 0.00 0.00 64.86 63.32 1ve0 h ILE 79 Cb 0.01 2.17 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 1ve0 h ILE 79 CO 0.00 0.61 -2.46 -0.38 0.00 0.00 0.00 178.15 175.92 1ve0 n ILE 80 N -3.75 1.50 -3.67 -0.67 5.41 0.48 -5.02 119.36 113.64 1ve0 n ILE 80 Ca -0.01 -0.57 -0.14 0.00 1.00 0.00 0.00 62.75 63.03 1ve0 n ILE 80 Cb 0.63 -1.44 -0.08 0.00 -0.71 0.00 0.00 39.64 38.03 1ve0 n ILE 80 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ve0 s ASP 81 N -6.56 -0.58 -0.27 4.38 3.68 -0.97 -5.08 116.67 111.27 1ve0 s ASP 81 Ca -0.35 1.05 -0.03 0.00 2.13 0.00 0.00 52.55 55.35 1ve0 s ASP 81 Cb 0.09 1.06 0.03 0.00 -1.45 0.00 0.00 42.92 42.65 1ve0 s ASP 81 CO 0.60 -0.26 2.65 -0.46 0.13 0.00 0.00 175.17 177.84 1ve0 n ASN 82 N 2.48 6.09 -0.96 -0.34 6.94 -1.26 -3.03 115.26 125.19 1ve0 n ASN 82 Ca -0.15 -2.93 0.05 0.00 -0.02 0.00 0.00 54.58 51.53 1ve0 n ASN 82 Cb 0.56 -1.21 0.11 0.00 -2.36 0.00 0.00 39.78 36.88 1ve0 n ASN 82 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1ve0 n ASN 83 N 1.13 1.31 -0.17 0.53 6.94 -1.26 -4.83 115.26 118.92 1ve0 n ASN 83 Ca 0.37 -2.87 0.08 0.00 -0.02 0.00 0.00 54.58 52.14 1ve0 n ASN 83 Cb 0.63 -0.40 0.39 0.00 -2.36 0.00 0.00 39.78 38.04 1ve0 n ASN 83 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1ve0 h GLY 84 N 0.86 0.89 1.19 4.83 0.00 -1.91 -1.30 103.07 107.63 1ve0 h GLY 84 Ca -0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1ve0 h GLY 84 CO 0.04 0.18 0.22 1.12 0.00 0.00 0.00 176.54 178.11 1ve0 h HIS 85 N 0.67 1.05 -0.53 5.60 2.07 -1.88 -1.37 115.15 120.75 1ve0 h HIS 85 Ca 0.31 -0.09 -0.09 0.00 -2.85 0.00 0.00 60.37 57.65 1ve0 h HIS 85 Cb 0.36 -0.31 -0.02 0.00 2.57 0.00 0.00 27.41 30.01 1ve0 h HIS 85 CO -0.00 0.83 -0.04 0.00 -3.07 0.00 0.00 177.93 175.64 1ve0 h ALA 86 N 1.25 0.92 -0.13 6.11 0.00 -1.51 -1.59 119.26 124.30 1ve0 h ALA 86 Ca 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ve0 h ALA 86 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ve0 h ALA 86 CO -0.01 0.64 0.03 0.45 0.00 0.00 0.00 179.25 180.36 1ve0 h HIS 87 N 0.86 0.21 0.29 0.00 3.86 -1.11 -1.84 115.15 117.42 1ve0 h HIS 87 Ca 0.15 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1ve0 h HIS 87 Cb 0.57 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1ve0 h HIS 87 CO 0.04 0.35 -0.14 0.28 0.86 0.00 0.00 177.93 179.31 1ve0 h VAL 88 N 0.01 0.75 -0.44 2.45 2.07 -1.14 -1.14 116.25 118.80 1ve0 h VAL 88 Ca 0.04 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1ve0 h VAL 88 Cb 0.24 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1ve0 h VAL 88 CO -0.00 0.06 -0.07 -0.29 0.02 0.00 0.00 177.57 177.29 1ve0 h ILE 89 N -0.52 1.25 -0.41 4.57 6.09 -1.37 -2.36 117.51 124.77 1ve0 h ILE 89 Ca -0.04 -1.10 -0.06 0.00 -1.37 0.00 0.00 64.86 62.29 1ve0 h ILE 89 Cb 0.39 0.98 -0.02 0.00 0.47 0.00 0.00 36.82 38.64 1ve0 h ILE 89 CO 0.07 0.38 -0.01 0.28 -3.07 0.00 0.00 178.15 175.80 1ve0 h SER 90 N 0.71 0.62 -0.45 2.19 0.02 -1.29 -1.55 113.55 113.80 1ve0 h SER 90 Ca 0.13 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1ve0 h SER 90 Cb 0.53 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1ve0 h SER 90 CO 0.03 0.70 -0.18 0.00 -1.14 0.00 0.00 176.83 176.24 1ve0 h ALA 91 N 1.37 0.63 -0.14 3.77 0.00 -0.88 -0.05 119.26 123.97 1ve0 h ALA 91 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1ve0 h ALA 91 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ve0 h ALA 91 CO 0.02 0.59 0.01 0.82 0.00 0.00 0.00 179.25 180.68 1ve0 h ILE 92 N 0.76 1.24 -0.40 0.00 2.04 -1.20 -3.21 117.51 116.74 1ve0 h ILE 92 Ca 0.11 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 1ve0 h ILE 92 Cb 0.74 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1ve0 h ILE 92 CO 0.06 0.22 -0.11 0.40 0.00 0.00 0.00 178.15 178.72 1ve0 h ILE 93 N -0.01 1.28 0.00 -0.67 2.04 -1.29 -3.50 117.51 115.36 1ve0 h ILE 93 Ca 0.04 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1ve0 h ILE 93 Cb 0.33 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1ve0 h ILE 93 CO 0.00 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.17 1ve0 n GLY 94 N -0.17 2.81 1.23 5.37 0.00 -0.04 -4.88 105.19 109.52 1ve0 n GLY 94 Ca -0.01 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.32 1ve0 n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ve0 n ASN 95 N 0.00 3.60 -3.75 1.61 6.94 -1.26 -2.97 115.26 119.44 1ve0 n ASN 95 Ca 0.00 -1.99 -0.10 0.00 -0.02 0.00 0.00 54.58 52.47 1ve0 n ASN 95 Cb 0.00 -0.41 -0.05 0.00 -2.36 0.00 0.00 39.78 36.96 1ve0 n ASN 95 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1ve0 s SER 96 N -1.12 -0.17 -0.01 0.53 1.04 -1.26 -1.55 113.70 111.16 1ve0 s SER 96 Ca 0.44 -0.50 -0.14 0.00 0.48 0.00 0.00 55.95 56.23 1ve0 s SER 96 Cb 0.24 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.88 1ve0 s SER 96 CO 0.31 -0.93 0.29 -0.13 0.98 0.00 0.00 173.24 173.77 1ve0 s ARG 97 N -3.86 0.67 -0.00 4.02 1.81 -0.79 -4.83 118.95 115.96 1ve0 s ARG 97 Ca 0.08 -0.25 0.01 0.00 -1.72 0.00 0.00 55.73 53.85 1ve0 s ARG 97 Cb 0.01 0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.77 1ve0 s ARG 97 CO -0.06 -0.19 0.04 0.14 -0.68 0.00 0.00 175.30 174.55 1ve0 s VAL 98 N -1.48 4.43 -0.05 3.52 -7.23 -1.26 -1.13 120.40 117.19 1ve0 s VAL 98 Ca -0.13 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1ve0 s VAL 98 Cb -0.05 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.91 1ve0 s VAL 98 CO 0.03 0.36 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.46 1ve0 s VAL 99 N -1.14 0.50 0.59 1.32 1.01 -0.18 -4.99 120.40 117.51 1ve0 s VAL 99 Ca 0.21 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 1ve0 s VAL 99 Cb -0.12 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1ve0 s VAL 99 CO 0.12 0.24 1.06 -2.16 0.00 0.00 0.00 175.10 174.36 1ve0 s PRO 100 N 1.22 3.29 -0.08 2.72 0.04 -1.26 -0.74 135.00 140.20 1ve0 s PRO 100 Ca -0.06 1.23 0.05 0.00 0.04 0.00 0.00 61.00 62.25 1ve0 s PRO 100 Cb -0.14 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1ve0 s PRO 100 CO -0.02 -0.83 -0.23 0.42 0.04 0.00 0.00 177.00 176.38 1ve0 s ILE 101 N -2.42 2.18 -0.09 0.56 1.01 0.00 -0.56 121.20 121.88 1ve0 s ILE 101 Ca 0.64 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 1ve0 s ILE 101 Cb -0.16 -1.82 0.03 0.00 0.01 0.00 0.00 42.46 40.52 1ve0 s ILE 101 CO 0.37 0.56 0.23 -0.51 0.00 0.00 0.00 174.94 175.59 1ve0 s ILE 102 N 0.07 -0.02 -1.76 2.92 1.10 -0.24 -1.44 121.20 121.83 1ve0 s ILE 102 Ca -0.10 0.08 0.00 0.00 -0.51 0.00 0.00 60.65 60.12 1ve0 s ILE 102 Cb -0.16 -0.35 0.00 0.00 0.15 0.00 0.00 42.46 42.11 1ve0 s ILE 102 CO 0.06 0.03 0.00 -0.62 -2.11 0.00 0.00 174.94 172.30 1ve0 n GLU 103 N 3.61 -1.62 -0.94 3.50 -0.58 -0.65 -1.25 120.64 122.70 1ve0 n GLU 103 Ca -0.19 1.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 1ve0 n GLU 103 Cb 0.56 -5.62 0.00 0.00 -0.57 0.00 0.00 31.44 25.80 1ve0 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ve0 n GLY 104 N -1.00 0.56 3.41 0.62 0.00 0.75 -5.01 105.19 104.52 1ve0 n GLY 104 Ca -0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1ve0 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ve0 s LYS 105 N -0.37 1.49 0.11 1.61 1.02 -0.38 -4.89 119.74 118.32 1ve0 s LYS 105 Ca 0.00 -1.60 -0.31 0.00 0.02 0.00 0.00 55.97 54.08 1ve0 s LYS 105 Cb 0.00 -1.57 -0.08 0.00 -0.52 0.00 0.00 37.83 35.66 1ve0 s LYS 105 CO 0.00 0.31 1.52 -0.51 -0.92 0.00 0.00 175.35 175.74 1ve0 s LEU 106 N -3.09 4.36 -1.04 3.17 1.43 -1.26 -1.08 118.68 121.17 1ve0 s LEU 106 Ca 0.23 2.44 -0.16 0.00 -1.03 0.00 0.00 54.13 55.62 1ve0 s LEU 106 Cb -0.05 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.76 1ve0 s LEU 106 CO 0.10 -0.78 1.21 -0.62 0.23 0.00 0.00 176.35 176.50 1ve0 s ASP 107 N 1.53 6.87 0.04 2.29 2.15 0.28 -4.87 116.67 124.96 1ve0 s ASP 107 Ca 0.69 -2.60 0.03 0.00 0.43 0.00 0.00 52.55 51.09 1ve0 s ASP 107 Cb -0.39 -2.37 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 1ve0 s ASP 107 CO 0.31 -0.83 0.01 -0.76 -0.17 0.00 0.00 175.17 173.72 1ve0 s LEU 108 N 1.70 3.52 0.96 -1.34 1.43 -1.26 -4.48 118.68 119.21 1ve0 s LEU 108 Ca 0.35 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 1ve0 s LEU 108 Cb -0.05 -2.14 0.17 0.00 0.03 0.00 0.00 46.19 44.20 1ve0 s LEU 108 CO -0.06 0.23 1.11 -0.83 0.23 0.00 0.00 176.35 177.04 1ve0 s GLY 109 N -1.93 1.57 0.25 -3.19 0.00 -1.26 -4.89 107.32 97.86 1ve0 s GLY 109 Ca 0.23 -0.45 -0.10 0.00 0.00 0.00 0.00 44.72 44.41 1ve0 s GLY 109 CO 0.15 0.14 1.60 -0.84 0.00 0.00 0.00 173.10 174.15 1ve0 h THR 110 N -1.72 0.22 -0.63 0.90 2.02 -2.04 -2.27 112.91 109.39 1ve0 h THR 110 Ca -0.53 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1ve0 h THR 110 Cb 1.33 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1ve0 h THR 110 CO 0.60 0.00 0.00 0.79 0.37 0.00 0.00 175.52 177.28 1ve0 n TRP 111 N -5.48 0.88 -3.01 3.16 7.02 -1.26 -4.99 117.44 113.76 1ve0 n TRP 111 Ca 0.12 -0.51 -0.40 0.00 -1.02 0.00 0.00 57.50 55.70 1ve0 n TRP 111 Cb 0.44 -0.02 -0.05 0.00 -2.42 0.00 0.00 31.31 29.26 1ve0 n TRP 111 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1ve0 s GLN 112 N -1.05 4.46 0.06 -0.99 -0.21 -0.86 -3.25 119.66 117.82 1ve0 s GLN 112 Ca 0.43 0.97 0.02 0.00 0.02 0.00 0.00 55.36 56.79 1ve0 s GLN 112 Cb 0.23 -3.42 -0.03 0.00 1.00 0.00 0.00 33.01 30.78 1ve0 s GLN 112 CO 0.29 0.12 -0.07 1.03 -2.12 0.00 0.00 175.29 174.54 1ve0 s ARG 113 N 0.57 0.64 -0.24 2.91 1.81 0.43 -4.70 118.95 120.37 1ve0 s ARG 113 Ca 0.39 -1.00 -0.18 0.00 -1.72 0.00 0.00 55.73 53.22 1ve0 s ARG 113 Cb -0.19 -0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 34.08 1ve0 s ARG 113 CO 0.20 0.01 0.50 0.42 -0.68 0.00 0.00 175.30 175.74 1ve0 s ILE 114 N -2.41 5.10 -0.06 1.52 1.01 -1.26 -1.42 121.20 123.68 1ve0 s ILE 114 Ca -0.01 0.86 0.05 0.00 0.00 0.00 0.00 60.65 61.56 1ve0 s ILE 114 Cb -0.03 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 1ve0 s ILE 114 CO -0.02 0.13 -0.23 -0.63 0.00 0.00 0.00 174.94 174.19 1ve0 s ILE 115 N 2.03 1.90 -0.19 2.92 1.01 -0.25 -0.77 121.20 127.84 1ve0 s ILE 115 Ca 0.21 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.76 1ve0 s ILE 115 Cb -0.15 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 1ve0 s ILE 115 CO 0.09 0.53 0.26 -0.22 0.00 0.00 0.00 174.94 175.60 1ve0 s LEU 116 N -0.03 4.19 -0.20 2.97 2.96 0.20 -1.77 118.68 127.00 1ve0 s LEU 116 Ca -0.06 0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 54.18 1ve0 s LEU 116 Cb -0.14 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 1ve0 s LEU 116 CO 0.04 0.07 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.37 1ve0 s LEU 117 N 0.75 3.22 -0.14 -0.68 1.43 0.34 -1.26 118.68 122.34 1ve0 s LEU 117 Ca 0.14 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1ve0 s LEU 117 Cb -0.13 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1ve0 s LEU 117 CO 0.04 0.07 -0.01 -0.70 0.23 0.00 0.00 176.35 175.97 1ve0 s GLU 118 N 0.98 3.53 0.00 1.70 2.56 0.62 -0.80 118.70 127.29 1ve0 s GLU 118 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.97 54.52 1ve0 s GLU 118 Cb -0.14 -2.93 0.00 0.00 2.00 0.00 0.00 34.13 33.06 1ve0 s GLU 118 CO 0.02 0.38 0.34 1.19 -0.56 0.00 0.00 175.26 176.62 1ve0 n PHE 119 N 3.15 0.00 -2.79 5.30 3.01 -1.18 -1.84 117.46 123.10 1ve0 n PHE 119 Ca -0.18 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.27 1ve0 n PHE 119 Cb 0.53 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.05 1ve0 n PHE 119 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ve0 n ASP 120 N -0.06 1.16 -3.24 4.37 4.64 -0.87 -4.64 116.55 117.90 1ve0 n ASP 120 Ca 0.00 -2.16 -0.14 0.00 -1.38 0.00 0.00 54.79 51.11 1ve0 n ASP 120 Cb 0.06 -0.33 0.09 0.00 -1.04 0.00 0.00 41.12 39.89 1ve0 n ASP 120 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ve0 n GLY 121 N -0.62 -0.16 3.76 0.27 0.00 -0.10 -4.72 105.19 103.61 1ve0 n GLY 121 Ca 0.04 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 1ve0 n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ve0 s PRO 122 N -4.18 4.73 0.18 1.61 0.04 -1.19 -3.61 135.00 132.58 1ve0 s PRO 122 Ca 0.38 1.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.75 1ve0 s PRO 122 Cb -0.02 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.43 1ve0 s PRO 122 CO 0.26 0.38 0.56 1.03 0.04 0.00 0.00 177.00 179.27 1ve0 s ARG 123 N -1.45 1.33 -0.34 4.56 0.52 -1.18 -4.96 118.95 117.42 1ve0 s ARG 123 Ca 0.44 -0.66 -0.18 0.00 -0.52 0.00 0.00 55.73 54.81 1ve0 s ARG 123 Cb -0.26 0.56 -0.01 0.00 0.52 0.00 0.00 34.95 35.76 1ve0 s ARG 123 CO 0.32 -0.57 0.51 0.99 0.02 0.00 0.00 175.30 176.57 1ve0 s THR 124 N -3.81 5.03 -0.06 0.02 2.01 -1.26 -0.16 115.64 117.40 1ve0 s THR 124 Ca 0.04 0.38 -0.03 0.00 0.31 0.00 0.00 61.69 62.39 1ve0 s THR 124 Cb -0.01 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1ve0 s THR 124 CO -0.08 -0.18 0.09 -0.13 -0.69 0.00 0.00 174.62 173.63 1ve0 s ARG 125 N 2.37 3.19 -0.14 4.92 1.81 0.55 -4.93 118.95 126.73 1ve0 s ARG 125 Ca 0.19 -0.34 -0.04 0.00 -1.72 0.00 0.00 55.73 53.81 1ve0 s ARG 125 Cb -0.15 -2.97 -0.03 0.00 -0.45 0.00 0.00 34.95 31.34 1ve0 s ARG 125 CO 0.13 0.71 0.02 0.99 -0.68 0.00 0.00 175.30 176.46 1ve0 s THR 126 N -1.07 4.44 -0.14 0.02 2.01 -1.26 -0.85 115.64 118.78 1ve0 s THR 126 Ca 0.18 -0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.01 1ve0 s THR 126 Cb -0.12 -2.94 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 1ve0 s THR 126 CO 0.08 0.53 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.72 1ve0 s VAL 127 N -0.18 2.88 -0.20 3.82 1.01 0.71 -4.35 120.40 124.10 1ve0 s VAL 127 Ca 0.06 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 1ve0 s VAL 127 Cb -0.12 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1ve0 s VAL 127 CO 0.02 0.52 0.09 -0.22 0.00 0.00 0.00 175.10 175.50 1ve0 s LEU 128 N 0.60 3.91 -0.31 3.92 2.96 0.17 -1.60 118.68 128.33 1ve0 s LEU 128 Ca -0.08 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1ve0 s LEU 128 Cb -0.16 -2.01 0.05 0.00 0.50 0.00 0.00 46.19 44.57 1ve0 s LEU 128 CO 0.03 0.15 0.03 -0.69 -1.32 0.00 0.00 176.35 174.55 1ve0 s VAL 129 N 0.55 3.19 -0.35 1.68 1.01 0.70 0.04 120.40 127.23 1ve0 s VAL 129 Ca 0.05 -1.35 -0.06 0.00 0.00 0.00 0.00 61.98 60.62 1ve0 s VAL 129 Cb -0.12 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.47 1ve0 s VAL 129 CO 0.01 -0.14 0.11 -0.75 0.00 0.00 0.00 175.10 174.33 1ve0 s LYS 130 N 1.28 2.57 0.53 2.72 2.47 -0.54 -1.51 119.74 127.26 1ve0 s LYS 130 Ca -0.04 -1.25 0.05 0.00 -1.56 0.00 0.00 55.97 53.18 1ve0 s LYS 130 Cb -0.20 -3.47 0.05 0.00 -1.46 0.00 0.00 37.83 32.75 1ve0 s LYS 130 CO -0.00 -0.71 0.43 0.43 0.16 0.00 0.00 175.35 175.66 1ve0 n SER 131 N 4.79 2.65 0.00 1.43 7.64 0.62 -0.92 113.62 129.83 1ve0 n SER 131 Ca -0.12 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 56.96 1ve0 n SER 131 Cb 0.44 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1ve0 n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ve0 n GLY 133 N -1.43 0.18 0.32 0.23 0.00 -1.01 -0.56 105.19 102.92 1ve0 n GLY 133 Ca -0.01 -2.00 0.04 0.00 0.00 0.00 0.00 46.02 44.06 1ve0 n GLY 133 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48