#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpu n GLN 38 N 0.00 1.88 -0.01 3.23 1.13 -1.26 -4.72 117.38 117.63 1vpu n GLN 38 Ca 0.00 -2.70 -0.17 0.00 -1.94 0.00 0.00 57.00 52.19 1vpu n GLN 38 Cb 0.00 -1.63 -0.14 0.00 0.11 0.00 0.00 30.24 28.58 1vpu n GLN 38 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1vpu h ILE 39 N 0.69 1.66 -0.01 5.09 2.04 -1.99 -3.24 117.51 121.74 1vpu h ILE 39 Ca 0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 1vpu h ILE 39 Cb 1.17 3.28 -0.00 0.00 -0.74 0.00 0.00 36.82 40.53 1vpu h ILE 39 CO 0.09 0.65 0.11 -2.24 0.00 0.00 0.00 178.15 176.76 1vpu h ASP 40 N -0.69 0.00 -0.37 1.72 2.03 -1.85 -1.12 116.42 116.13 1vpu h ASP 40 Ca -0.07 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.20 1vpu h ASP 40 Cb 1.29 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.77 1vpu h ASP 40 CO 0.07 0.00 0.11 0.03 -1.03 0.00 0.00 179.24 178.42 1vpu h ARG 41 N 0.00 0.66 0.13 4.15 2.47 -1.88 -0.53 114.38 119.38 1vpu h ARG 41 Ca 0.01 -0.12 -0.36 0.00 -1.26 0.00 0.00 59.98 58.25 1vpu h ARG 41 Cb 0.23 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1vpu h ARG 41 CO -0.00 0.60 -1.93 1.37 0.56 0.00 0.00 179.97 180.57 1vpu h LEU 42 N 0.64 0.44 -0.46 3.04 8.10 -1.38 -3.21 115.31 122.48 1vpu h LEU 42 Ca 0.15 -0.94 0.07 0.00 0.11 0.00 0.00 57.88 57.26 1vpu h LEU 42 Cb 0.24 -0.14 -0.06 0.00 -0.44 0.00 0.00 40.66 40.26 1vpu h LEU 42 CO -0.00 1.84 0.14 0.40 -4.11 0.00 0.00 178.44 176.70 1vpu h ILE 43 N 0.04 0.81 -0.27 0.15 2.04 -1.39 0.15 117.51 119.04 1vpu h ILE 43 Ca -0.41 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1vpu h ILE 43 Cb 2.02 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1vpu h ILE 43 CO 0.09 0.05 0.00 0.47 0.00 0.00 0.00 178.15 178.77 1vpu n ASP 44 N -5.04 1.79 -0.13 1.72 9.92 -0.21 -3.52 116.55 121.07 1vpu n ASP 44 Ca 0.04 -1.87 -0.25 0.00 -0.53 0.00 0.00 54.79 52.18 1vpu n ASP 44 Cb 0.20 -0.18 -0.11 0.00 -0.64 0.00 0.00 41.12 40.39 1vpu n ASP 44 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1vpu n ARG 45 N 0.44 0.62 0.27 -1.24 3.00 -0.23 -4.29 116.66 115.23 1vpu n ARG 45 Ca 0.14 0.24 0.12 0.00 -0.00 0.00 0.00 57.85 58.35 1vpu n ARG 45 Cb 0.31 -1.53 0.75 0.00 0.00 0.00 0.00 32.46 32.00 1vpu n ARG 45 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1vpu h ILE 46 N -0.63 0.68 -1.14 5.15 5.03 -0.89 -3.11 117.51 122.61 1vpu h ILE 46 Ca -0.63 -0.32 0.32 0.00 -0.12 0.00 0.00 64.86 64.11 1vpu h ILE 46 Cb 1.71 1.19 -0.10 0.00 -3.03 0.00 0.00 36.82 36.59 1vpu h ILE 46 CO -0.28 0.08 0.74 0.00 -0.68 0.00 0.00 178.15 178.01 1vpu h THR 47 N 0.00 0.39 0.00 -0.27 1.03 -1.74 0.84 112.91 113.15 1vpu h THR 47 Ca -0.00 -0.09 -0.18 0.00 -0.01 0.00 0.00 66.41 66.13 1vpu h THR 47 Cb 0.19 0.10 -0.03 0.00 -1.07 0.00 0.00 68.15 67.34 1vpu h THR 47 CO 0.01 0.05 -1.57 -0.62 -0.01 0.00 0.00 175.52 173.38 1vpu n GLU 48 N -4.60 0.63 -0.13 0.00 -0.58 -1.17 -0.07 120.64 114.71 1vpu n GLU 48 Ca 0.29 0.17 -0.04 0.00 -0.42 0.00 0.00 57.16 57.16 1vpu n GLU 48 Cb 1.08 -1.76 0.15 0.00 -0.57 0.00 0.00 31.44 30.35 1vpu n GLU 48 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 1vpu h ARG 49 N 0.00 0.84 0.00 3.49 0.11 -1.03 -2.83 114.38 114.96 1vpu h ARG 49 Ca -0.20 -0.21 -0.25 0.00 0.10 0.00 0.00 59.98 59.42 1vpu h ARG 49 Cb 1.63 -0.10 -0.04 0.00 1.11 0.00 0.00 29.97 32.56 1vpu h ARG 49 CO 0.04 0.82 -1.70 0.00 0.10 0.00 0.00 179.97 179.23 1vpu n ALA 50 N -2.47 1.70 -1.04 0.08 0.00 -0.21 -4.97 120.51 113.61 1vpu n ALA 50 Ca 0.03 -0.75 -0.07 0.00 0.00 0.00 0.00 53.44 52.65 1vpu n ALA 50 Cb 0.28 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 1vpu n ALA 50 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vpu n GLU 51 N -2.92 -1.69 -0.12 0.00 0.28 0.90 -4.78 120.64 112.30 1vpu n GLU 51 Ca -0.16 0.60 -0.27 0.00 -0.16 0.00 0.00 57.16 57.17 1vpu n GLU 51 Cb 0.97 -4.68 -0.11 0.00 1.43 0.00 0.00 31.44 29.06 1vpu n GLU 51 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1vpu n ASP 52 N -0.23 1.94 -0.01 -1.84 5.75 -1.25 -4.27 116.55 116.64 1vpu n ASP 52 Ca -0.07 0.32 0.14 0.00 -0.01 0.00 0.00 54.79 55.17 1vpu n ASP 52 Cb 0.42 -0.83 0.58 0.00 -1.03 0.00 0.00 41.12 40.26 1vpu n ASP 52 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1vpu h SER 53 N -0.88 0.20 -0.03 -1.12 0.02 -1.86 0.21 113.55 110.09 1vpu h SER 53 Ca -0.59 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.37 1vpu h SER 53 Cb 1.58 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 64.08 1vpu h SER 53 CO -0.32 0.12 0.03 1.23 -1.14 0.00 0.00 176.83 176.75 1vpu h GLY 54 N 0.22 0.00 0.00 -3.77 0.00 -1.74 -1.33 103.07 96.44 1vpu h GLY 54 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 1vpu h GLY 54 CO -0.04 0.00 -1.22 1.16 0.00 0.00 0.00 176.54 176.43 1vpu n ASN 55 N -3.95 3.90 -0.29 0.19 0.23 -0.20 -4.15 115.26 110.98 1vpu n ASN 55 Ca -0.02 -0.01 -0.05 0.00 -0.53 0.00 0.00 54.58 53.96 1vpu n ASN 55 Cb 0.12 0.19 0.07 0.00 -2.08 0.00 0.00 39.78 38.09 1vpu n ASN 55 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1vpu h GLU 56 N 0.00 1.20 0.00 -3.83 -0.00 -0.73 -3.39 114.58 107.83 1vpu h GLU 56 Ca -0.09 -0.21 -0.17 0.00 -0.00 0.00 0.00 59.36 58.89 1vpu h GLU 56 Cb 1.16 -0.20 -0.13 0.00 -0.00 0.00 0.00 28.75 29.58 1vpu h GLU 56 CO -0.01 0.96 -0.21 0.43 -0.00 0.00 0.00 179.01 180.18 1vpu n SER 57 N -4.28 -1.58 -0.28 3.06 7.64 -1.13 -5.03 113.62 112.01 1vpu n SER 57 Ca 0.08 -2.18 0.01 0.00 1.01 0.00 0.00 58.87 57.79 1vpu n SER 57 Cb 0.18 0.91 0.08 0.00 -1.01 0.00 0.00 64.21 64.37 1vpu n SER 57 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1vpu h GLU 58 N 1.56 -0.02 -0.49 1.43 4.22 -1.40 0.01 114.58 119.88 1vpu h GLU 58 Ca -0.36 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.04 1vpu h GLU 58 Cb 1.27 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1vpu h GLU 58 CO -0.12 -0.02 0.14 0.78 -2.18 0.00 0.00 179.01 177.62 1vpu h GLY 59 N -0.02 0.78 1.26 1.92 0.00 -1.90 0.45 103.07 105.55 1vpu h GLY 59 Ca 0.37 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1vpu h GLY 59 CO -0.83 0.40 0.49 -1.80 0.00 0.00 0.00 176.54 174.80 1vpu h ASP 60 N 0.71 0.87 0.05 0.19 3.58 -1.39 0.10 116.42 120.52 1vpu h ASP 60 Ca 0.16 -0.03 -0.17 0.00 0.42 0.00 0.00 57.03 57.41 1vpu h ASP 60 Cb 0.24 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1vpu h ASP 60 CO -0.01 0.63 -0.90 1.56 -2.88 0.00 0.00 179.24 177.65 1vpu h GLN 61 N 1.02 0.10 -0.95 0.28 7.50 -1.11 -0.46 115.11 121.49 1vpu h GLN 61 Ca 0.27 -0.17 0.08 0.00 0.50 0.00 0.00 58.65 59.33 1vpu h GLN 61 Cb -0.11 0.06 -0.07 0.00 0.05 0.00 0.00 27.48 27.42 1vpu h GLN 61 CO -0.06 1.08 0.60 1.49 -1.50 0.00 0.00 178.83 180.44 1vpu h GLU 62 N -0.73 1.02 0.03 1.46 4.22 -0.01 0.25 114.58 120.82 1vpu h GLU 62 Ca -0.21 -0.06 -0.37 0.00 0.08 0.00 0.00 59.36 58.80 1vpu h GLU 62 Cb 1.38 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1vpu h GLU 62 CO -0.03 0.67 -2.24 -1.91 -2.18 0.00 0.00 179.01 173.32 1vpu n GLU 63 N -4.58 0.68 -0.29 1.92 2.13 0.34 -4.59 120.64 116.25 1vpu n GLU 63 Ca 0.15 0.16 0.08 0.00 0.66 0.00 0.00 57.16 58.21 1vpu n GLU 63 Cb 0.23 -1.60 0.20 0.00 0.27 0.00 0.00 31.44 30.53 1vpu n GLU 63 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1vpu n LEU 64 N -3.17 3.26 -0.32 4.31 4.32 -0.19 -4.79 117.00 120.42 1vpu n LEU 64 Ca -0.36 -2.74 0.29 0.00 -0.02 0.00 0.00 56.01 53.19 1vpu n LEU 64 Cb 1.05 -0.42 0.55 0.00 -1.62 0.00 0.00 43.42 42.98 1vpu n LEU 64 CO 0.37 0.68 1.06 -1.28 -1.22 0.00 0.00 177.39 177.00 1vpu h SER 65 N 1.37 0.34 -0.80 -1.43 0.87 -0.47 0.01 113.55 113.45 1vpu h SER 65 Ca 0.00 0.24 0.17 0.00 -1.23 0.00 0.00 61.79 60.97 1vpu h SER 65 Cb 1.14 0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 63.24 1vpu h SER 65 CO 0.12 -0.36 0.30 0.00 -0.53 0.00 0.00 176.83 176.36 1vpu h ALA 66 N 1.96 1.15 0.00 6.23 0.00 -1.86 -3.36 119.26 123.39 1vpu h ALA 66 Ca 0.81 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.86 1vpu h ALA 66 Cb 2.06 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1vpu h ALA 66 CO -0.73 -0.27 -0.62 1.28 0.00 0.00 0.00 179.25 178.91 1vpu n LEU 67 N -5.04 1.61 -3.46 0.00 4.77 -0.16 -4.97 117.00 109.75 1vpu n LEU 67 Ca 0.17 0.25 -0.18 0.00 -0.03 0.00 0.00 56.01 56.22 1vpu n LEU 67 Cb 0.49 -0.59 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1vpu n LEU 67 CO 0.15 -0.45 -0.05 0.52 -1.33 0.00 0.00 177.39 176.23 1vpu n VAL 68 N -4.08 -6.13 0.76 4.08 0.31 -0.31 -4.94 118.33 108.02 1vpu n VAL 68 Ca -0.09 0.01 0.08 0.00 -0.01 0.00 0.00 64.34 64.33 1vpu n VAL 68 Cb 0.32 -4.59 -0.06 0.00 -0.91 0.00 0.00 33.84 28.61 1vpu n VAL 68 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1vpu n GLU 69 N -1.86 1.65 -1.93 5.55 -0.00 -1.26 -4.29 120.64 118.50 1vpu n GLU 69 Ca -0.16 -0.33 -0.24 0.00 -0.00 0.00 0.00 57.16 56.43 1vpu n GLU 69 Cb 0.62 -1.28 -0.08 0.00 -0.00 0.00 0.00 31.44 30.70 1vpu n GLU 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1vpu n ARG 70 N -0.88 1.19 -2.35 3.44 1.74 -1.26 -3.54 116.66 114.99 1vpu n ARG 70 Ca 0.05 -2.26 -0.18 0.00 -0.77 0.00 0.00 57.85 54.68 1vpu n ARG 70 Cb 0.29 -3.79 -0.01 0.00 -1.02 0.00 0.00 32.46 27.94 1vpu n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vpu n GLY 71 N 5.87 -0.38 3.11 -0.13 0.00 -1.26 -4.25 105.19 108.15 1vpu n GLY 71 Ca 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 46.34 1vpu n GLY 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1vpu n HIS 72 N -4.02 -0.32 -3.78 1.61 1.44 -1.23 -4.99 115.22 103.93 1vpu n HIS 72 Ca -0.21 0.16 -0.29 0.00 -2.01 0.00 0.00 57.72 55.37 1vpu n HIS 72 Cb 0.66 -1.23 -0.13 0.00 0.12 0.00 0.00 29.99 29.42 1vpu n HIS 72 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1vpu s LEU 73 N -0.62 3.23 0.00 2.39 2.01 -1.26 -4.80 118.68 119.63 1vpu s LEU 73 Ca -0.01 -2.83 -0.01 0.00 0.01 0.00 0.00 54.13 51.28 1vpu s LEU 73 Cb 0.00 -1.22 0.01 0.00 0.01 0.00 0.00 46.19 44.99 1vpu s LEU 73 CO 0.06 -0.24 0.07 0.00 1.01 0.00 0.00 176.35 177.25 1vpu n ALA 74 N 3.29 -0.18 -0.44 4.21 0.00 -1.26 -4.80 120.51 121.33 1vpu n ALA 74 Ca 0.09 -0.06 0.37 0.00 0.00 0.00 0.00 53.44 53.84 1vpu n ALA 74 Cb 0.34 0.03 0.65 0.00 0.00 0.00 0.00 19.45 20.47 1vpu n ALA 74 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1vpu h PRO 75 N 0.00 0.08 -0.65 0.00 0.13 -1.91 0.27 132.00 129.93 1vpu h PRO 75 Ca -0.02 -0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.30 1vpu h PRO 75 Cb 0.08 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.16 1vpu h PRO 75 CO 0.02 0.05 0.50 0.11 -0.23 0.00 0.00 178.00 178.45 1vpu h TRP 76 N 0.08 0.00 0.00 1.56 0.09 -1.96 -1.37 115.95 114.35 1vpu h TRP 76 Ca 0.83 0.00 -0.05 0.00 0.09 0.00 0.00 58.89 59.76 1vpu h TRP 76 Cb 2.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 31.80 1vpu h TRP 76 CO -0.01 0.00 -0.79 -0.25 0.09 0.00 0.00 178.44 177.48 1vpu n ASP 77 N -4.19 0.79 -0.35 0.11 9.92 0.75 -4.70 116.55 118.88 1vpu n ASP 77 Ca 0.13 0.12 0.11 0.00 -0.53 0.00 0.00 54.79 54.61 1vpu n ASP 77 Cb 0.75 -0.28 0.29 0.00 -0.64 0.00 0.00 41.12 41.24 1vpu n ASP 77 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1vpu h VAL 78 N -0.19 0.77 -0.22 2.53 -1.51 -1.03 -0.03 116.25 116.57 1vpu h VAL 78 Ca -0.07 -0.28 0.06 0.00 -1.23 0.00 0.00 66.70 65.18 1vpu h VAL 78 Cb 0.70 -0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 1vpu h VAL 78 CO -0.04 0.15 0.19 -0.78 -1.23 0.00 0.00 177.57 175.85 1vpu h ASP 79 N 0.83 0.00 -0.32 4.19 3.58 -1.42 -1.37 116.42 121.90 1vpu h ASP 79 Ca 0.55 0.00 0.08 0.00 0.42 0.00 0.00 57.03 58.08 1vpu h ASP 79 Cb 0.77 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 1vpu h ASP 79 CO -0.35 0.00 0.23 0.44 -2.88 0.00 0.00 179.24 176.68 1vpu h ASP 80 N 0.00 0.08 0.00 2.28 5.19 -1.18 -3.49 116.42 119.30 1vpu h ASP 80 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1vpu h ASP 80 Cb 0.48 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1vpu h ASP 80 CO -0.00 0.05 0.00 -0.11 -3.12 0.00 0.00 179.24 176.06