#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 1.00 -0.10 3.23 3.00 -1.26 -4.94 117.38 118.31 1vpu n GLN 38 Ca 0.00 -3.23 -0.20 0.00 -0.01 0.00 0.00 57.00 53.56 1vpu n GLN 38 Cb 0.00 -1.58 -0.07 0.00 0.00 0.00 0.00 30.24 28.60 1vpu n GLN 38 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1vpu n ILE 39 N 0.23 1.36 0.31 5.09 5.41 -1.26 -4.46 119.36 126.04 1vpu n ILE 39 Ca 0.21 -0.16 0.17 0.00 1.00 0.00 0.00 62.75 63.97 1vpu n ILE 39 Cb 0.69 -1.97 0.88 0.00 -0.71 0.00 0.00 39.64 38.53 1vpu n ILE 39 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1vpu h ASP 40 N -0.86 0.00 -0.27 4.38 2.03 -1.94 -1.38 116.42 118.38 1vpu h ASP 40 Ca -0.40 0.00 0.08 0.00 -0.73 0.00 0.00 57.03 55.98 1vpu h ASP 40 Cb 1.30 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.79 1vpu h ASP 40 CO -0.24 0.00 0.20 0.03 -1.03 0.00 0.00 179.24 178.20 1vpu h ARG 41 N 0.00 0.00 -0.28 4.15 2.47 -1.95 -1.29 114.38 117.48 1vpu h ARG 41 Ca 0.02 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 1vpu h ARG 41 Cb 0.58 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 1vpu h ARG 41 CO -0.00 0.00 0.05 1.37 0.56 0.00 0.00 179.97 181.95 1vpu h LEU 42 N 0.00 0.45 -0.95 3.04 -0.00 -1.53 0.32 115.31 116.63 1vpu h LEU 42 Ca 0.13 -0.26 0.19 0.00 -0.00 0.00 0.00 57.88 57.94 1vpu h LEU 42 Cb 0.53 -0.12 -0.11 0.00 -0.00 0.00 0.00 40.66 40.96 1vpu h LEU 42 CO -0.00 0.60 0.54 0.40 -0.00 0.00 0.00 178.44 179.97 1vpu h ILE 43 N 0.29 0.66 0.00 0.15 2.04 -1.41 0.54 117.51 119.78 1vpu h ILE 43 Ca 0.09 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1vpu h ILE 43 Cb 0.34 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1vpu h ILE 43 CO 0.01 0.12 -0.81 0.47 0.00 0.00 0.00 178.15 177.93 1vpu n ASP 44 N -4.84 0.63 -0.08 1.72 8.00 -1.10 -3.81 116.55 117.07 1vpu n ASP 44 Ca 0.22 -0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 1vpu n ASP 44 Cb 0.57 0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 42.08 1vpu n ASP 44 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1vpu h ARG 45 N 0.00 0.00 -0.23 -1.24 2.47 0.79 -3.34 114.38 112.82 1vpu h ARG 45 Ca 0.00 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.79 1vpu h ARG 45 Cb 0.70 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.01 1vpu h ARG 45 CO 0.00 0.69 0.31 0.82 0.56 0.00 0.00 179.97 182.35 1vpu h ILE 46 N -1.00 0.33 -0.99 2.04 5.03 -0.18 -3.16 117.51 119.57 1vpu h ILE 46 Ca -0.13 0.00 0.34 0.00 -0.12 0.00 0.00 64.86 64.96 1vpu h ILE 46 Cb 0.88 0.74 -0.16 0.00 -3.03 0.00 0.00 36.82 35.25 1vpu h ILE 46 CO -0.08 0.00 0.53 0.00 -0.68 0.00 0.00 178.15 177.92 1vpu h THR 47 N 0.00 0.21 0.00 -0.27 1.03 -1.69 0.80 112.91 112.99 1vpu h THR 47 Ca 0.11 -0.07 -0.19 0.00 -0.01 0.00 0.00 66.41 66.25 1vpu h THR 47 Cb 0.73 -0.03 -0.03 0.00 -1.07 0.00 0.00 68.15 67.75 1vpu h THR 47 CO -0.00 0.04 -1.03 -0.33 -0.01 0.00 0.00 175.52 174.19 1vpu h GLU 48 N 0.22 0.00 -0.08 0.00 3.07 -1.83 0.42 114.58 116.37 1vpu h GLU 48 Ca 0.75 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.58 1vpu h GLU 48 Cb 1.79 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.70 1vpu h GLU 48 CO -0.66 0.67 -0.07 0.00 -1.40 0.00 0.00 179.01 177.54 1vpu h ARG 49 N 0.00 0.19 -0.34 2.33 2.47 -0.67 -3.01 114.38 115.35 1vpu h ARG 49 Ca -0.08 -0.10 -0.11 0.00 -1.26 0.00 0.00 59.98 58.44 1vpu h ARG 49 Cb 1.67 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.98 1vpu h ARG 49 CO 0.09 0.61 -0.20 0.00 0.56 0.00 0.00 179.97 181.02 1vpu h ALA 50 N 0.58 0.48 0.00 0.04 0.00 0.33 -3.46 119.26 117.24 1vpu h ALA 50 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1vpu h ALA 50 Cb 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1vpu h ALA 50 CO 0.02 0.44 0.00 -0.85 0.00 0.00 0.00 179.25 178.85 1vpu n GLU 51 N -4.29 0.00 -0.10 0.00 0.28 0.15 -4.37 120.64 112.31 1vpu n GLU 51 Ca -0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.04 1vpu n GLU 51 Cb 0.42 -0.27 0.41 0.00 1.43 0.00 0.00 31.44 33.44 1vpu n GLU 51 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 1vpu h ASP 52 N 0.00 0.53 -0.95 -1.84 3.04 -1.88 0.11 116.42 115.44 1vpu h ASP 52 Ca 0.00 -0.00 -0.63 0.00 -3.24 0.00 0.00 57.03 53.16 1vpu h ASP 52 Cb 0.00 -0.12 -0.28 0.00 -1.04 0.00 0.00 39.33 37.90 1vpu h ASP 52 CO 0.00 0.36 0.82 -1.20 -2.04 0.00 0.00 179.24 177.17 1vpu n SER 53 N -4.47 7.25 0.12 4.15 7.64 -1.26 -3.94 113.62 123.11 1vpu n SER 53 Ca 0.08 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.25 1vpu n SER 53 Cb 0.20 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1vpu n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vpu n GLY 54 N -0.82 -0.43 0.28 0.23 0.00 0.19 -4.56 105.19 100.07 1vpu n GLY 54 Ca 0.60 0.04 0.16 0.00 0.00 0.00 0.00 46.02 46.81 1vpu n GLY 54 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1vpu h ASN 55 N 0.00 0.00 0.32 1.61 -1.24 -1.23 0.10 115.58 115.14 1vpu h ASN 55 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1vpu h ASN 55 Cb 0.00 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1vpu h ASN 55 CO 0.00 0.08 -0.35 -0.08 -1.29 0.00 0.00 177.43 175.79 1vpu h GLU 56 N 0.00 -0.68 0.00 6.67 4.81 -1.77 -3.33 114.58 120.28 1vpu h GLU 56 Ca -0.00 0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.11 1vpu h GLU 56 Cb 0.38 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1vpu h GLU 56 CO 0.01 -0.45 -2.04 0.43 -0.73 0.00 0.00 179.01 176.23 1vpu n SER 57 N -5.46 0.70 -3.04 1.04 7.64 -1.21 -5.07 113.62 108.23 1vpu n SER 57 Ca -0.09 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.70 1vpu n SER 57 Cb 0.36 1.37 0.01 0.00 -1.01 0.00 0.00 64.21 64.93 1vpu n SER 57 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vpu n GLU 58 N -2.41 -1.89 0.00 1.43 1.02 0.36 -4.56 120.64 114.58 1vpu n GLU 58 Ca -0.17 1.75 0.00 0.00 -0.02 0.00 0.00 57.16 58.72 1vpu n GLU 58 Cb 0.80 -5.24 0.00 0.00 -0.02 0.00 0.00 31.44 26.97 1vpu n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vpu n GLY 59 N -0.94 3.16 0.35 0.62 0.00 -1.26 -4.95 105.19 102.16 1vpu n GLY 59 Ca 0.03 -0.57 0.18 0.00 0.00 0.00 0.00 46.02 45.67 1vpu n GLY 59 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1vpu h ASP 60 N 0.00 0.00 -0.03 1.61 3.58 -1.92 0.02 116.42 119.69 1vpu h ASP 60 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1vpu h ASP 60 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1vpu h ASP 60 CO 0.00 0.00 -0.05 0.00 -2.88 0.00 0.00 179.24 176.31 1vpu n GLN 61 N -3.66 1.97 -0.05 0.28 3.00 -1.26 -1.03 117.38 116.63 1vpu n GLN 61 Ca 0.03 -1.72 -0.06 0.00 -0.01 0.00 0.00 57.00 55.24 1vpu n GLN 61 Cb 0.42 -1.42 -0.05 0.00 0.00 0.00 0.00 30.24 29.19 1vpu n GLN 61 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1vpu n GLU 62 N 1.10 0.94 -2.18 -1.09 0.00 -0.16 -4.33 120.64 114.92 1vpu n GLU 62 Ca 0.12 0.04 -0.24 0.00 0.00 0.00 0.00 57.16 57.09 1vpu n GLU 62 Cb 0.54 -1.21 0.02 0.00 0.00 0.00 0.00 31.44 30.78 1vpu n GLU 62 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1vpu n GLU 63 N -2.66 3.48 0.00 3.44 4.07 -0.31 -4.79 120.64 123.86 1vpu n GLU 63 Ca -0.17 -4.23 0.00 0.00 -0.06 0.00 0.00 57.16 52.70 1vpu n GLU 63 Cb 0.72 -2.24 0.00 0.00 -0.06 0.00 0.00 31.44 29.86 1vpu n GLU 63 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1vpu n LEU 64 N -0.64 0.00 -0.02 4.31 7.94 -1.25 -4.94 117.00 122.41 1vpu n LEU 64 Ca 0.41 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.32 1vpu n LEU 64 Cb 0.88 0.03 0.02 0.00 0.53 0.00 0.00 43.42 44.88 1vpu n LEU 64 CO 0.37 -0.03 0.05 -0.24 -1.11 0.00 0.00 177.39 176.44 1vpu n SER 65 N -1.04 -0.00 0.00 1.96 2.88 -0.20 -3.45 113.62 113.77 1vpu n SER 65 Ca 0.00 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1vpu n SER 65 Cb 0.00 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1vpu n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vpu n ALA 66 N -3.46 0.00 -0.99 -1.46 0.00 -1.26 -3.20 120.51 110.14 1vpu n ALA 66 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1vpu n ALA 66 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1vpu n ALA 66 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1vpu n LEU 67 N -2.15 0.11 -3.70 0.00 -0.00 -1.22 -4.99 117.00 105.05 1vpu n LEU 67 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 1vpu n LEU 67 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 1vpu n LEU 67 CO 0.00 -0.01 -0.16 0.52 -0.00 0.00 0.00 177.39 177.74 1vpu n VAL 68 N -1.48 -4.27 1.47 1.47 0.31 -1.19 -4.85 118.33 109.78 1vpu n VAL 68 Ca 0.00 -0.07 0.14 0.00 -0.01 0.00 0.00 64.34 64.41 1vpu n VAL 68 Cb 0.00 -3.47 0.65 0.00 -0.91 0.00 0.00 33.84 30.11 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 -2.58 0.73 -1.28 5.55 0.00 -1.26 -3.12 120.64 118.68 1vpu n GLU 69 Ca -0.27 -0.22 -0.41 0.00 0.00 0.00 0.00 57.16 56.26 1vpu n GLU 69 Cb 0.67 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.55 1vpu n GLU 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1vpu n ARG 70 N -0.94 1.49 -0.43 3.44 0.63 -1.26 -3.11 116.66 116.47 1vpu n ARG 70 Ca 0.15 -1.93 0.00 0.00 -0.92 0.00 0.00 57.85 55.16 1vpu n ARG 70 Cb 0.26 -3.04 0.00 0.00 0.45 0.00 0.00 32.46 30.14 1vpu n ARG 70 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vpu n GLY 71 N 4.74 0.81 3.99 5.14 0.00 -1.26 -4.41 105.19 114.20 1vpu n GLY 71 Ca 0.49 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.38 -1.57 -2.29 1.61 1.44 -1.18 -4.80 115.22 106.05 1vpu n HIS 72 Ca 0.00 0.47 -0.42 0.00 -2.01 0.00 0.00 57.72 55.77 1vpu n HIS 72 Cb 0.02 -3.25 -0.01 0.00 0.12 0.00 0.00 29.99 26.88 1vpu n HIS 72 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1vpu n LEU 73 N -4.55 5.24 0.00 2.39 7.99 -1.18 -4.78 117.00 122.10 1vpu n LEU 73 Ca -0.21 -3.88 0.00 0.00 -0.01 0.00 0.00 56.01 51.90 1vpu n LEU 73 Cb 0.63 -1.71 0.00 0.00 -0.11 0.00 0.00 43.42 42.24 1vpu n LEU 73 CO 0.75 0.21 0.00 0.00 -1.51 0.00 0.00 177.39 176.84 1vpu n ALA 74 N 8.28 0.00 -1.00 -1.18 0.00 -1.26 -4.51 120.51 120.84 1vpu n ALA 74 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1vpu n ALA 74 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1vpu n ALA 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1vpu n PRO 75 N 0.00 0.00 0.00 0.00 -0.04 -1.26 -4.56 135.00 129.14 1vpu n PRO 75 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1vpu n PRO 75 Cb 0.00 -0.27 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 1vpu n PRO 75 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1vpu n TRP 76 N 0.00 0.00 -0.34 0.54 2.14 -1.26 -0.10 117.44 118.43 1vpu n TRP 76 Ca 0.00 0.00 0.32 0.00 2.07 0.00 0.00 57.50 59.89 1vpu n TRP 76 Cb 0.00 0.00 0.67 0.00 -0.81 0.00 0.00 31.31 31.17 1vpu n TRP 76 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 1vpu h ASP 77 N 0.00 0.15 -1.29 -0.67 5.19 -1.89 -0.66 116.42 117.26 1vpu h ASP 77 Ca 0.00 0.03 0.39 0.00 -0.62 0.00 0.00 57.03 56.83 1vpu h ASP 77 Cb 0.00 0.01 -0.10 0.00 0.18 0.00 0.00 39.33 39.42 1vpu h ASP 77 CO 0.00 0.02 0.86 1.62 -3.12 0.00 0.00 179.24 178.61 1vpu h VAL 78 N 0.13 0.27 -1.03 -1.35 3.04 -0.76 -1.16 116.25 115.38 1vpu h VAL 78 Ca 0.60 -0.05 0.27 0.00 -1.01 0.00 0.00 66.70 66.51 1vpu h VAL 78 Cb 2.07 0.11 -0.07 0.00 -2.01 0.00 0.00 31.29 31.38 1vpu h VAL 78 CO -0.12 0.03 0.69 -2.24 -1.01 0.00 0.00 177.57 174.92 1vpu h ASP 79 N 0.15 0.29 -0.21 3.17 2.03 -1.36 -1.30 116.42 119.18 1vpu h ASP 79 Ca 0.73 0.05 -0.13 0.00 -0.73 0.00 0.00 57.03 56.95 1vpu h ASP 79 Cb 2.35 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 40.76 1vpu h ASP 79 CO -0.28 0.07 -0.39 0.47 -1.03 0.00 0.00 179.24 178.08 1vpu n ASP 80 N -4.47 2.42 0.00 4.15 8.00 -0.44 -5.20 116.55 121.00 1vpu n ASP 80 Ca 0.24 -3.86 0.00 0.00 0.71 0.00 0.00 54.79 51.88 1vpu n ASP 80 Cb 0.94 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1vpu n ASP 80 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99