#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vbe s ALA 3 N 0.00 3.57 -0.22 4.61 0.00 -1.26 -4.77 121.76 123.68 1vbe s ALA 3 Ca 0.00 1.37 -0.06 0.00 0.00 0.00 0.00 51.96 53.27 1vbe s ALA 3 Cb 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1vbe s ALA 3 CO 0.00 -0.78 0.02 -1.14 0.00 0.00 0.00 175.76 173.86 1vbe s GLN 4 N -1.34 3.62 -0.12 0.00 2.00 0.48 -4.96 119.66 119.34 1vbe s GLN 4 Ca 0.54 -0.51 0.03 0.00 -2.00 0.00 0.00 55.36 53.42 1vbe s GLN 4 Cb -0.42 -3.17 0.01 0.00 0.80 0.00 0.00 33.01 30.22 1vbe s GLN 4 CO 0.52 -0.08 -0.22 0.08 -0.50 0.00 0.00 175.29 175.09 1vbe s VAL 5 N 1.27 2.02 0.14 1.34 1.01 -1.26 -0.61 120.40 124.31 1vbe s VAL 5 Ca 0.04 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1vbe s VAL 5 Cb -0.15 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1vbe s VAL 5 CO 0.02 0.55 -0.05 -0.44 0.00 0.00 0.00 175.10 175.17 1vbe s SER 6 N 0.66 1.36 -0.08 3.32 0.01 -0.78 -4.98 113.70 113.21 1vbe s SER 6 Ca -0.11 -1.06 -0.25 0.00 1.31 0.00 0.00 55.95 55.84 1vbe s SER 6 Cb -0.16 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 1vbe s SER 6 CO 0.02 -0.46 0.76 -0.44 0.41 0.00 0.00 173.24 173.53 1vbe s SER 7 N -3.12 7.02 0.37 2.44 0.01 -1.26 -0.88 113.70 118.28 1vbe s SER 7 Ca 0.17 1.23 -0.26 0.00 1.31 0.00 0.00 55.95 58.41 1vbe s SER 7 Cb 0.05 -2.44 -0.09 0.00 0.21 0.00 0.00 66.02 63.75 1vbe s SER 7 CO -0.00 -0.20 1.11 -1.10 0.41 0.00 0.00 173.24 173.46 1vbe s GLN 8 N 1.13 4.24 -0.74 12.44 -0.21 0.11 -4.93 119.66 131.69 1vbe s GLN 8 Ca 0.39 1.71 -0.25 0.00 0.02 0.00 0.00 55.36 57.23 1vbe s GLN 8 Cb -0.18 -2.75 0.05 0.00 1.00 0.00 0.00 33.01 31.13 1vbe s GLN 8 CO 0.18 -0.12 1.20 0.21 -2.12 0.00 0.00 175.29 174.63 1vbe s LYS 9 N -2.17 3.20 -0.46 2.91 2.20 -1.26 -4.62 119.74 119.55 1vbe s LYS 9 Ca 0.54 -0.51 -0.28 0.00 -0.36 0.00 0.00 55.97 55.36 1vbe s LYS 9 Cb -0.28 -4.29 0.01 0.00 -1.51 0.00 0.00 37.83 31.76 1vbe s LYS 9 CO 0.35 -2.05 1.46 0.08 -0.36 0.00 0.00 175.35 174.83 1vbe s VAL 10 N 5.14 3.81 0.00 4.02 1.01 -1.26 -4.95 120.40 128.17 1vbe s VAL 10 Ca 0.32 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1vbe s VAL 10 Cb -0.10 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1vbe s VAL 10 CO 0.11 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 174.97 1vbe n GLY 11 N 5.19 -0.16 3.71 4.51 0.00 -1.26 -4.82 105.19 112.35 1vbe n GLY 11 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1vbe n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vbe s ALA 12 N -3.05 3.20 -0.15 4.61 0.00 -1.26 -5.05 121.76 120.06 1vbe s ALA 12 Ca 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 1vbe s ALA 12 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1vbe s ALA 12 CO 0.00 -0.24 -0.04 -1.01 0.00 0.00 0.00 175.76 174.47 1vbe s HIS 13 N 0.92 3.02 0.82 0.00 3.76 -1.26 -5.12 115.29 117.43 1vbe s HIS 13 Ca 0.52 -0.28 -0.12 0.00 -0.15 0.00 0.00 55.06 55.03 1vbe s HIS 13 Cb -0.22 -1.95 0.09 0.00 1.11 0.00 0.00 32.58 31.61 1vbe s HIS 13 CO 0.28 -0.02 1.16 -2.00 -0.85 0.00 0.00 174.74 173.32 1vbe s GLU 14 N 0.30 1.66 0.00 1.40 2.12 -1.26 -4.88 118.70 118.04 1vbe s GLU 14 Ca -0.04 1.58 -0.04 0.00 0.36 0.00 0.00 54.97 56.84 1vbe s GLU 14 Cb -0.14 -1.80 -0.17 0.00 0.26 0.00 0.00 34.13 32.28 1vbe s GLU 14 CO 0.03 -2.16 2.56 0.09 -0.54 0.00 0.00 175.26 175.25 1vbe n ASN 15 N -3.50 3.72 -0.04 -1.70 5.03 -1.26 -5.14 115.26 112.37 1vbe n ASN 15 Ca 0.12 -2.17 -0.03 0.00 0.87 0.00 0.00 54.58 53.37 1vbe n ASN 15 Cb 0.51 -0.98 -0.01 0.00 -1.02 0.00 0.00 39.78 38.28 1vbe n ASN 15 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1vbe n SER 16 N 2.53 1.00 0.00 6.41 7.64 -1.26 -5.39 113.62 124.55 1vbe n SER 16 Ca 0.27 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1vbe n SER 16 Cb 0.62 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1vbe n SER 16 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1vbe n SER 23 N -3.54 0.00 -4.66 6.43 2.88 -1.26 -5.24 113.62 108.22 1vbe n SER 23 Ca -0.05 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.11 1vbe n SER 23 Cb 0.19 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.57 1vbe n SER 23 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1vbe s THR 24 N -2.04 5.23 -0.07 2.46 -1.32 -1.26 -5.01 115.64 113.62 1vbe s THR 24 Ca 0.00 0.59 0.01 0.00 -1.21 0.00 0.00 61.69 61.08 1vbe s THR 24 Cb 0.00 -3.68 -0.03 0.00 -1.51 0.00 0.00 72.50 67.28 1vbe s THR 24 CO 0.00 0.26 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.95 1vbe s ILE 25 N 1.34 3.49 0.31 5.08 1.01 -1.26 -5.04 121.20 126.12 1vbe s ILE 25 Ca 0.16 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.35 1vbe s ILE 25 Cb -0.15 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1vbe s ILE 25 CO 0.07 0.58 0.08 0.20 0.00 0.00 0.00 174.94 175.88 1vbe s ASN 26 N -0.63 4.62 0.04 3.58 0.01 -1.26 0.04 114.94 121.34 1vbe s ASN 26 Ca 0.09 -0.72 0.02 0.00 -0.71 0.00 0.00 52.86 51.54 1vbe s ASN 26 Cb -0.11 -0.78 -0.02 0.00 0.41 0.00 0.00 41.25 40.74 1vbe s ASN 26 CO 0.02 -0.17 -0.06 -0.72 -1.51 0.00 0.00 177.10 174.65 1vbe s TYR 27 N -2.38 0.57 -0.10 2.20 1.13 -0.06 -4.84 117.35 113.87 1vbe s TYR 27 Ca 0.35 -0.53 0.02 0.00 -1.41 0.00 0.00 57.07 55.50 1vbe s TYR 27 Cb -0.04 -0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 40.45 1vbe s TYR 27 CO 0.21 -0.12 -0.15 0.99 -2.51 0.00 0.00 175.55 173.98 1vbe s THR 28 N -1.51 2.96 -0.08 -3.49 2.01 -1.26 -1.86 115.64 112.41 1vbe s THR 28 Ca -0.11 -0.72 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1vbe s THR 28 Cb -0.09 -2.20 -0.00 0.00 0.01 0.00 0.00 72.50 70.21 1vbe s THR 28 CO -0.00 0.55 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.36 1vbe s THR 29 N -0.04 1.95 -0.08 -0.82 2.01 0.22 -4.95 115.64 113.92 1vbe s THR 29 Ca -0.03 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 60.99 1vbe s THR 29 Cb -0.14 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.72 1vbe s THR 29 CO 0.04 0.54 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.81 1vbe s ILE 30 N 0.13 0.84 -0.20 1.82 1.01 -1.26 -0.39 121.20 123.15 1vbe s ILE 30 Ca -0.11 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 1vbe s ILE 30 Cb -0.16 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1vbe s ILE 30 CO 0.06 0.32 1.10 0.20 0.00 0.00 0.00 174.94 176.61 1vbe s ASN 31 N 1.37 7.07 0.00 3.58 0.01 -1.26 -4.92 114.94 120.79 1vbe s ASN 31 Ca -0.02 1.47 0.24 0.00 -0.71 0.00 0.00 52.86 53.84 1vbe s ASN 31 Cb -0.14 -2.54 0.37 0.00 0.41 0.00 0.00 41.25 39.35 1vbe s ASN 31 CO -0.03 -0.68 1.32 -1.22 -1.51 0.00 0.00 177.10 174.98 1vbe n TYR 32 N 6.30 0.00 -4.81 2.20 4.01 -1.26 -4.94 117.16 118.66 1vbe n TYR 32 Ca 0.12 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.56 1vbe n TYR 32 Cb 0.46 -0.18 -0.14 0.00 -0.31 0.00 0.00 39.34 39.17 1vbe n TYR 32 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1vbe s TYR 33 N -2.94 2.46 0.24 -0.72 2.02 -1.26 -5.05 117.35 112.10 1vbe s TYR 33 Ca 0.12 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.47 1vbe s TYR 33 Cb 0.17 -1.45 0.27 0.00 -0.40 0.00 0.00 41.96 40.55 1vbe s TYR 33 CO 0.71 0.18 1.67 -0.22 -1.57 0.00 0.00 175.55 176.33 1vbe h LYS 34 N 4.74 0.70 -6.17 -0.62 3.64 -2.01 -3.43 116.57 113.42 1vbe h LYS 34 Ca -0.47 -0.26 -0.57 0.00 -1.27 0.00 0.00 60.65 58.07 1vbe h LYS 34 Cb 1.15 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 1vbe h LYS 34 CO 0.46 0.85 0.85 -0.51 -2.27 0.00 0.00 179.45 178.82 1vbe s ASP 35 N -6.75 7.00 0.58 4.20 1.11 -1.26 -4.92 116.67 116.63 1vbe s ASP 35 Ca -0.09 1.36 0.28 0.00 0.18 0.00 0.00 52.55 54.29 1vbe s ASP 35 Cb 0.13 -2.54 1.53 0.00 1.07 0.00 0.00 42.92 43.11 1vbe s ASP 35 CO 0.82 -0.77 1.98 0.77 1.18 0.00 0.00 175.17 179.15 1vbe h SER 36 N 7.90 0.00 -0.94 0.27 4.64 -2.00 -0.89 113.55 122.52 1vbe h SER 36 Ca -0.22 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1vbe h SER 36 Cb 1.07 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.09 1vbe h SER 36 CO 0.99 0.00 0.61 0.00 -0.87 0.00 0.00 176.83 177.56 1vbe h ALA 37 N 1.59 1.54 0.00 5.18 0.00 -1.97 -1.93 119.26 123.68 1vbe h ALA 37 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1vbe h ALA 37 Cb 0.93 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1vbe h ALA 37 CO -0.00 0.27 0.00 0.77 0.00 0.00 0.00 179.25 180.29 1vbe h SER 38 N 0.99 0.00 -4.03 0.00 0.02 -1.54 -3.45 113.55 105.54 1vbe h SER 38 Ca 0.43 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.88 1vbe h SER 38 Cb 0.34 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.94 1vbe h SER 38 CO -0.19 0.00 0.45 0.20 -1.14 0.00 0.00 176.83 176.15 1vbe s ASN 39 N -4.37 6.13 1.20 3.07 0.02 -0.73 -4.98 114.94 115.28 1vbe s ASN 39 Ca -0.01 2.19 -0.19 0.00 -1.02 0.00 0.00 52.86 53.83 1vbe s ASN 39 Cb 0.08 -2.59 0.29 0.00 0.02 0.00 0.00 41.25 39.05 1vbe s ASN 39 CO 0.30 -0.94 1.09 0.00 0.02 0.00 0.00 177.10 177.58 1vbe s ALA 40 N -1.68 0.51 -0.11 0.60 0.00 -1.26 -4.99 121.76 114.82 1vbe s ALA 40 Ca 0.66 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 1vbe s ALA 40 Cb -0.25 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 1vbe s ALA 40 CO 0.30 -3.62 0.63 0.00 0.00 0.00 0.00 175.76 173.07 1vbe s ALA 41 N -2.94 3.42 0.44 0.00 0.00 -1.26 -4.96 121.76 116.46 1vbe s ALA 41 Ca 0.70 -0.04 0.12 0.00 0.00 0.00 0.00 51.96 52.74 1vbe s ALA 41 Cb -0.11 -2.89 1.00 0.00 0.00 0.00 0.00 23.12 21.13 1vbe s ALA 41 CO 0.56 -0.19 2.03 1.03 0.00 0.00 0.00 175.76 179.20 1vbe h SER 42 N 6.92 0.35 0.00 0.00 0.87 -2.04 -3.46 113.55 116.19 1vbe h SER 42 Ca -0.39 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1vbe h SER 42 Cb 1.18 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1vbe h SER 42 CO 0.76 0.24 0.00 0.29 -0.53 0.00 0.00 176.83 177.59 1vbe n LYS 43 N -4.48 -0.09 -2.82 2.24 4.76 -1.26 -4.90 118.16 111.61 1vbe n LYS 43 Ca 0.05 0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.08 1vbe n LYS 43 Cb 0.22 -3.58 -0.03 0.00 -1.84 0.00 0.00 35.03 29.79 1vbe n LYS 43 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1vbe s GLN 44 N -0.76 3.48 -0.03 1.97 -0.21 -1.26 -5.01 119.66 117.84 1vbe s GLN 44 Ca 0.00 -1.38 0.06 0.00 0.02 0.00 0.00 55.36 54.06 1vbe s GLN 44 Cb 0.00 -4.85 -0.02 0.00 1.00 0.00 0.00 33.01 29.14 1vbe s GLN 44 CO 0.00 -1.89 -0.21 -0.51 -2.12 0.00 0.00 175.29 170.57 1vbe s ASP 45 N 3.93 3.51 0.23 5.90 1.01 -1.26 -5.11 116.67 124.89 1vbe s ASP 45 Ca 0.33 -0.35 -0.30 0.00 0.71 0.00 0.00 52.55 52.95 1vbe s ASP 45 Cb -0.06 -0.57 -0.09 0.00 1.01 0.00 0.00 42.92 43.21 1vbe s ASP 45 CO -0.05 0.33 0.99 -0.72 0.21 0.00 0.00 175.17 175.93 1vbe s TYR 46 N -0.68 3.85 0.50 4.23 -0.85 -1.26 -5.06 117.35 118.08 1vbe s TYR 46 Ca 0.11 1.83 0.02 0.00 -0.52 0.00 0.00 57.07 58.51 1vbe s TYR 46 Cb -0.10 -3.08 0.02 0.00 0.38 0.00 0.00 41.96 39.18 1vbe s TYR 46 CO -0.00 0.12 0.71 -1.54 -1.52 0.00 0.00 175.55 173.32 1vbe s SER 47 N -0.87 5.49 0.26 -0.18 1.04 -1.26 -5.13 113.70 113.05 1vbe s SER 47 Ca 0.43 0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.87 1vbe s SER 47 Cb -0.27 -1.02 -0.03 0.00 0.10 0.00 0.00 66.02 64.79 1vbe s SER 47 CO 0.34 -0.96 0.24 0.00 0.98 0.00 0.00 173.24 173.85 1vbe s GLN 48 N -4.64 1.49 0.09 4.02 -2.07 -1.26 -5.13 119.66 112.16 1vbe s GLN 48 Ca 0.54 -1.74 -0.31 0.00 -1.82 0.00 0.00 55.36 52.03 1vbe s GLN 48 Cb -0.10 0.32 -0.08 0.00 -1.09 0.00 0.00 33.01 32.06 1vbe s GLN 48 CO 0.37 -0.54 1.54 0.34 -1.32 0.00 0.00 175.29 175.69 1vbe s ASP 49 N -3.23 6.68 0.63 12.60 -1.08 -1.26 -4.91 116.67 126.11 1vbe s ASP 49 Ca 0.37 2.42 0.41 0.00 -0.52 0.00 0.00 52.55 55.24 1vbe s ASP 49 Cb 0.04 -2.57 2.22 0.00 -1.46 0.00 0.00 42.92 41.15 1vbe s ASP 49 CO 0.18 -0.80 2.25 1.55 0.52 0.00 0.00 175.17 178.87 1vbe h PRO 50 N 7.60 0.00 -0.80 4.34 0.13 -2.01 -3.37 132.00 137.89 1vbe h PRO 50 Ca -0.42 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.94 1vbe h PRO 50 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 1vbe h PRO 50 CO 0.91 0.00 0.03 0.43 -0.23 0.00 0.00 178.00 179.14 1vbe n SER 51 N -2.97 -0.08 0.32 1.44 7.64 -1.26 -0.10 113.62 118.61 1vbe n SER 51 Ca -0.03 1.35 0.20 0.00 1.01 0.00 0.00 58.87 61.40 1vbe n SER 51 Cb 0.10 -0.50 1.10 0.00 -1.01 0.00 0.00 64.21 63.90 1vbe n SER 51 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1vbe h LYS 52 N 0.00 0.00 0.00 1.43 2.10 -1.86 0.11 116.57 118.35 1vbe h LYS 52 Ca 0.49 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.74 1vbe h LYS 52 Cb 1.02 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.28 1vbe h LYS 52 CO -0.74 0.00 -2.36 1.19 -2.00 0.00 0.00 179.45 175.53 1vbe n PHE 53 N -3.34 0.00 0.11 0.07 3.72 0.86 -4.43 117.46 114.44 1vbe n PHE 53 Ca -0.03 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.39 1vbe n PHE 53 Cb 0.10 -0.89 -0.01 0.00 -0.94 0.00 0.00 39.48 37.74 1vbe n PHE 53 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1vbe h THR 54 N -0.58 0.73 -2.03 4.37 1.35 -0.82 -3.40 112.91 112.53 1vbe h THR 54 Ca -0.59 -2.11 -0.50 0.00 -0.55 0.00 0.00 66.41 62.66 1vbe h THR 54 Cb 1.64 2.28 -0.40 0.00 -1.73 0.00 0.00 68.15 69.93 1vbe h THR 54 CO -0.28 0.41 -1.14 -0.62 -0.25 0.00 0.00 175.52 173.64 1vbe n GLU 55 N -3.11 1.15 -0.34 4.72 1.02 0.37 -5.00 120.64 119.46 1vbe n GLU 55 Ca -0.01 -3.50 0.00 0.00 -0.02 0.00 0.00 57.16 53.62 1vbe n GLU 55 Cb 0.76 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1vbe n GLU 55 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1vbe n PRO 56 N 0.33 0.77 -3.25 3.49 -0.04 -1.22 -4.76 135.00 130.32 1vbe n PRO 56 Ca 0.25 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.35 1vbe n PRO 56 Cb 0.63 -1.11 -0.06 0.00 -0.04 0.00 0.00 33.50 32.91 1vbe n PRO 56 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vbe s LEU 57 N 0.00 4.35 0.11 1.53 1.43 -1.26 -4.98 118.68 119.86 1vbe s LEU 57 Ca 0.00 1.23 -0.21 0.00 -1.03 0.00 0.00 54.13 54.12 1vbe s LEU 57 Cb 0.00 -3.37 -0.11 0.00 0.03 0.00 0.00 46.19 42.75 1vbe s LEU 57 CO 0.00 0.09 1.76 0.50 0.23 0.00 0.00 176.35 178.93 1vbe h LYS 58 N 3.58 0.13 -3.35 1.70 1.63 -2.05 -3.28 116.57 114.93 1vbe h LYS 58 Ca -0.48 -0.01 -0.67 0.00 -0.85 0.00 0.00 60.65 58.64 1vbe h LYS 58 Cb 1.19 -0.03 -0.38 0.00 -0.60 0.00 0.00 32.23 32.42 1vbe h LYS 58 CO 0.65 0.09 -0.38 -0.51 -3.45 0.00 0.00 179.45 175.85 1vbe s ASP 59 N -5.28 5.20 0.01 4.20 1.01 -1.26 -5.06 116.67 115.47 1vbe s ASP 59 Ca -0.13 -3.36 -0.30 0.00 0.71 0.00 0.00 52.55 49.47 1vbe s ASP 59 Cb 0.07 -1.78 -0.08 0.00 1.01 0.00 0.00 42.92 42.14 1vbe s ASP 59 CO 0.68 -0.23 1.83 -0.69 0.21 0.00 0.00 175.17 176.97 1vbe s VAL 60 N -0.79 3.23 0.05 -1.27 1.01 -1.24 -4.98 120.40 116.40 1vbe s VAL 60 Ca 0.22 0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.51 1vbe s VAL 60 Cb -0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1vbe s VAL 60 CO -0.08 -0.03 0.20 -0.76 0.00 0.00 0.00 175.10 174.43 1vbe s LEU 61 N 4.15 4.34 0.10 3.92 1.43 -1.26 -5.08 118.68 126.28 1vbe s LEU 61 Ca 0.82 0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 53.88 1vbe s LEU 61 Cb -0.39 -2.87 -0.08 0.00 0.03 0.00 0.00 46.19 42.88 1vbe s LEU 61 CO 0.36 0.19 1.44 -0.51 0.23 0.00 0.00 176.35 178.06 1vbe s ILE 62 N -1.47 3.26 0.65 -0.59 2.07 -1.26 -4.97 121.20 118.89 1vbe s ILE 62 Ca 0.33 0.85 0.27 0.00 -1.41 0.00 0.00 60.65 60.69 1vbe s ILE 62 Cb -0.13 -3.55 0.29 0.00 0.13 0.00 0.00 42.46 39.21 1vbe s ILE 62 CO 0.26 0.05 1.81 0.07 -1.91 0.00 0.00 174.94 175.22 1vbe h LYS 63 N 7.14 0.00 -0.01 3.50 2.10 -1.99 -1.39 116.57 125.91 1vbe h LYS 63 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1vbe h LYS 63 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1vbe h LYS 63 CO 0.88 0.00 -0.22 0.25 -2.00 0.00 0.00 179.45 178.36 1vbe n THR 64 N -3.04 0.00 -3.53 0.07 -2.24 -1.26 -4.90 114.28 99.38 1vbe n THR 64 Ca 0.01 -0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.47 1vbe n THR 64 Cb 0.53 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.98 1vbe n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vbe s ALA 65 N -2.53 3.83 0.16 6.98 0.00 -0.53 -5.06 121.76 124.61 1vbe s ALA 65 Ca 0.25 -1.08 -0.32 0.00 0.00 0.00 0.00 51.96 50.82 1vbe s ALA 65 Cb 0.19 -1.96 -0.11 0.00 0.00 0.00 0.00 23.12 21.25 1vbe s ALA 65 CO 0.52 0.02 1.70 -1.25 0.00 0.00 0.00 175.76 176.75 1vbe s PRO 66 N -4.23 4.16 0.30 0.00 0.04 -1.26 -4.90 135.00 129.11 1vbe s PRO 66 Ca 0.39 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1vbe s PRO 66 Cb -0.09 -3.27 0.52 0.00 0.04 0.00 0.00 34.50 31.70 1vbe s PRO 66 CO 0.34 -0.74 1.91 0.00 0.04 0.00 0.00 177.00 178.55 1vbe h ALA 67 N 7.38 1.50 -3.15 8.56 0.00 -1.95 -3.37 119.26 128.23 1vbe h ALA 67 Ca -0.44 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 53.80 1vbe h ALA 67 Cb 1.21 -0.27 -0.26 0.00 0.00 0.00 0.00 17.79 18.46 1vbe h ALA 67 CO 0.94 0.36 -0.73 -0.51 0.00 0.00 0.00 179.25 179.32 1vbe s LEU 68 N -10.00 2.90 0.00 0.00 1.43 -1.26 -5.04 118.68 106.70 1vbe s LEU 68 Ca -0.11 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1vbe s LEU 68 Cb 0.20 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1vbe s LEU 68 CO 0.80 0.07 0.30 -3.20 0.23 0.00 0.00 176.35 174.55