#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 2.68 0.00 3.23 7.27 -1.26 -4.72 117.38 124.58 1vpu n GLN 38 Ca 0.00 -2.69 0.00 0.00 0.07 0.00 0.00 57.00 54.38 1vpu n GLN 38 Cb 0.00 -3.34 0.00 0.00 2.41 0.00 0.00 30.24 29.31 1vpu n GLN 38 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1vpu n ILE 39 N 5.82 0.00 -0.09 1.69 5.41 -1.26 -4.65 119.36 126.28 1vpu n ILE 39 Ca 0.50 0.00 0.26 0.00 1.00 0.00 0.00 62.75 64.51 1vpu n ILE 39 Cb 0.42 0.00 0.72 0.00 -0.71 0.00 0.00 39.64 40.07 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 0.00 0.00 -0.73 4.38 2.03 -2.02 -0.45 116.42 119.63 1vpu h ASP 40 Ca 0.00 0.00 0.16 0.00 -0.73 0.00 0.00 57.03 56.46 1vpu h ASP 40 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 1vpu h ASP 40 CO 0.00 0.00 0.50 0.03 -1.03 0.00 0.00 179.24 178.74 1vpu h ARG 41 N 0.00 0.32 -0.12 4.15 3.08 -1.88 -0.72 114.38 119.21 1vpu h ARG 41 Ca 0.35 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 1vpu h ARG 41 Cb 1.50 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.48 1vpu h ARG 41 CO -0.00 0.21 -0.01 1.37 -1.07 0.00 0.00 179.97 180.47 1vpu h LEU 42 N 0.33 0.22 -0.22 3.04 -0.00 -1.34 0.11 115.31 117.46 1vpu h LEU 42 Ca 0.36 -0.34 0.06 0.00 -0.00 0.00 0.00 57.88 57.96 1vpu h LEU 42 Cb 0.93 -0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.46 1vpu h LEU 42 CO -0.10 0.51 -0.22 0.40 -0.00 0.00 0.00 178.44 179.03 1vpu h ILE 43 N -0.06 0.44 0.00 0.15 2.04 -1.30 0.86 117.51 119.64 1vpu h ILE 43 Ca 0.03 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1vpu h ILE 43 Cb 0.40 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1vpu h ILE 43 CO 0.01 0.00 -0.26 -0.78 0.00 0.00 0.00 178.15 177.12 1vpu h ASP 44 N -0.23 0.00 0.07 1.72 1.82 -1.13 -1.37 116.42 117.30 1vpu h ASP 44 Ca 0.13 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1vpu h ASP 44 Cb 0.43 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1vpu h ASP 44 CO -0.35 0.26 -0.04 0.03 -1.61 0.00 0.00 179.24 177.53 1vpu h ARG 45 N 0.00 -0.09 -0.36 0.28 2.47 0.91 -3.33 114.38 114.26 1vpu h ARG 45 Ca -0.00 0.01 0.10 0.00 -1.26 0.00 0.00 59.98 58.83 1vpu h ARG 45 Cb 0.50 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1vpu h ARG 45 CO 0.03 -0.06 0.37 0.82 0.56 0.00 0.00 179.97 181.69 1vpu h ILE 46 N -0.58 0.44 -0.37 2.04 5.03 0.60 -0.39 117.51 124.29 1vpu h ILE 46 Ca -0.01 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.68 1vpu h ILE 46 Cb 0.08 0.71 -0.02 0.00 -3.03 0.00 0.00 36.82 34.56 1vpu h ILE 46 CO 0.02 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.49 1vpu h THR 47 N 0.00 1.21 0.00 -0.27 1.03 -1.35 0.48 112.91 114.00 1vpu h THR 47 Ca 0.17 -0.82 -0.02 0.00 -0.01 0.00 0.00 66.41 65.73 1vpu h THR 47 Cb 0.90 0.93 -0.00 0.00 -1.07 0.00 0.00 68.15 68.90 1vpu h THR 47 CO -0.00 0.28 -1.41 -1.84 -0.01 0.00 0.00 175.52 172.54 1vpu n GLU 48 N -4.27 0.63 -0.04 0.00 0.28 -0.29 -0.36 120.64 116.59 1vpu n GLU 48 Ca 0.02 0.01 -0.14 0.00 -0.16 0.00 0.00 57.16 56.89 1vpu n GLU 48 Cb 0.25 -1.71 -0.09 0.00 1.43 0.00 0.00 31.44 31.33 1vpu n GLU 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vpu h ARG 49 N 0.00 0.26 -0.05 3.44 2.47 -0.87 -2.95 114.38 116.68 1vpu h ARG 49 Ca -0.02 -0.17 -0.18 0.00 -1.26 0.00 0.00 59.98 58.35 1vpu h ARG 49 Cb 1.07 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 1vpu h ARG 49 CO 0.00 0.75 -0.75 0.00 0.56 0.00 0.00 179.97 180.54 1vpu h ALA 50 N 0.51 0.62 0.00 0.04 0.00 -0.18 -3.47 119.26 116.78 1vpu h ALA 50 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1vpu h ALA 50 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1vpu h ALA 50 CO 0.04 0.79 0.00 -0.85 0.00 0.00 0.00 179.25 179.23 1vpu n GLU 51 N -3.80 0.00 -0.27 0.00 0.28 0.52 -4.49 120.64 112.88 1vpu n GLU 51 Ca -0.04 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.10 1vpu n GLU 51 Cb 0.72 -0.38 0.41 0.00 1.43 0.00 0.00 31.44 33.62 1vpu n GLU 51 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1vpu h ASP 52 N 0.00 0.59 -1.16 -1.84 1.82 -1.90 0.34 116.42 114.27 1vpu h ASP 52 Ca 0.00 0.05 -0.70 0.00 -0.39 0.00 0.00 57.03 55.99 1vpu h ASP 52 Cb 0.00 -0.07 -0.10 0.00 0.68 0.00 0.00 39.33 39.84 1vpu h ASP 52 CO 0.00 0.27 2.04 -0.24 -1.61 0.00 0.00 179.24 179.71 1vpu n SER 53 N -4.57 4.95 0.00 2.28 2.88 -1.26 -2.83 113.62 115.07 1vpu n SER 53 Ca 0.18 -2.94 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 1vpu n SER 53 Cb 0.55 -1.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 1vpu n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vpu n GLY 54 N 4.91 2.10 0.28 0.46 0.00 -1.08 -4.55 105.19 107.31 1vpu n GLY 54 Ca 0.46 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.87 1.61 -1.24 -0.40 0.45 115.58 115.12 1vpu h ASN 55 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.12 1vpu h ASN 55 Cb 0.00 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 38.99 1vpu h ASN 55 CO 0.00 0.03 0.56 1.05 -1.29 0.00 0.00 177.43 177.78 1vpu h GLU 56 N 0.00 0.75 0.00 6.67 9.09 -1.72 -3.29 114.58 126.09 1vpu h GLU 56 Ca -0.00 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.36 1vpu h GLU 56 Cb 0.06 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 26.99 1vpu h GLU 56 CO 0.00 0.50 -0.79 0.43 0.05 0.00 0.00 179.01 179.20 1vpu n SER 57 N -4.54 1.58 0.00 3.06 7.64 -0.74 -5.05 113.62 115.56 1vpu n SER 57 Ca 0.16 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1vpu n SER 57 Cb 0.37 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 -4.09 0.00 -1.13 1.43 -0.58 0.13 -4.92 120.64 111.49 1vpu n GLU 58 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1vpu n GLU 58 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 1vpu n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vpu n GLY 59 N 0.00 0.39 0.33 0.62 0.00 0.11 -4.94 105.19 101.71 1vpu n GLY 59 Ca 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 1vpu n GLY 59 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1vpu h ASP 60 N 0.00 0.90 0.58 1.61 2.03 -1.92 0.12 116.42 119.74 1vpu h ASP 60 Ca 0.00 -0.09 -0.03 0.00 -0.73 0.00 0.00 57.03 56.18 1vpu h ASP 60 Cb 0.15 -0.23 -0.00 0.00 -0.83 0.00 0.00 39.33 38.42 1vpu h ASP 60 CO 0.00 0.75 -0.15 1.56 -1.03 0.00 0.00 179.24 180.36 1vpu h GLN 61 N 1.00 0.00 0.08 4.15 4.20 -1.87 0.48 115.11 123.15 1vpu h GLN 61 Ca 0.25 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.63 1vpu h GLN 61 Cb 0.08 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1vpu h GLN 61 CO -0.03 0.15 -1.83 -1.91 -0.67 0.00 0.00 178.83 174.53 1vpu n GLU 62 N -3.51 0.69 0.05 1.46 2.13 -0.43 -3.49 120.64 117.54 1vpu n GLU 62 Ca -0.01 0.35 -0.18 0.00 0.66 0.00 0.00 57.16 57.98 1vpu n GLU 62 Cb 0.31 -1.70 -0.14 0.00 0.27 0.00 0.00 31.44 30.17 1vpu n GLU 62 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1vpu h GLU 63 N -0.29 0.25 0.00 5.31 4.81 -0.81 -3.43 114.58 120.43 1vpu h GLU 63 Ca -0.42 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.37 1vpu h GLU 63 Cb 1.80 0.16 0.00 0.00 0.63 0.00 0.00 28.75 31.34 1vpu h GLU 63 CO -0.03 1.11 -0.69 1.28 -0.73 0.00 0.00 179.01 179.95 1vpu n LEU 64 N -3.44 1.61 0.00 1.64 7.99 0.14 -4.99 117.00 119.94 1vpu n LEU 64 Ca -0.20 0.26 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 1vpu n LEU 64 Cb 1.05 -0.62 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 1vpu n LEU 64 CO 0.49 -0.41 0.00 -0.24 -1.51 0.00 0.00 177.39 175.72 1vpu n SER 65 N -4.09 0.00 0.00 -1.43 2.88 0.54 -4.70 113.62 106.82 1vpu n SER 65 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1vpu n SER 65 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.00 -0.10 -0.90 -1.46 0.00 -1.26 -4.15 120.51 112.64 1vpu n ALA 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vpu n ALA 66 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.31 0.87 -3.78 0.00 -0.00 -1.26 -4.88 117.00 105.64 1vpu n LEU 67 Ca 0.00 0.39 -0.23 0.00 -0.00 0.00 0.00 56.01 56.17 1vpu n LEU 67 Cb 0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 43.42 43.38 1vpu n LEU 67 CO 0.00 -0.05 -0.10 0.52 -0.00 0.00 0.00 177.39 177.76 1vpu n VAL 68 N -0.65 -1.43 0.26 1.47 0.31 -1.26 -4.43 118.33 112.60 1vpu n VAL 68 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1vpu n VAL 68 Cb 0.00 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 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 -2.83 0.47 -2.01 5.55 0.00 -1.25 -2.08 120.64 118.49 1vpu n GLU 69 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.68 1vpu n GLU 69 Cb 0.31 -1.27 -0.02 0.00 0.00 0.00 0.00 31.44 30.46 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 1.07 2.57 0.00 3.44 0.63 -1.26 -4.18 116.66 118.93 1vpu n ARG 70 Ca 0.00 -2.71 0.00 0.00 -0.92 0.00 0.00 57.85 54.22 1vpu n ARG 70 Cb 0.23 -3.38 0.00 0.00 0.45 0.00 0.00 32.46 29.76 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 4.91 2.06 2.10 5.14 0.00 -1.26 -4.26 105.19 113.88 1vpu n GLY 71 Ca 0.49 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1vpu n GLY 71 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1vpu n HIS 72 N 0.00 -3.24 -0.06 1.61 -0.00 -1.26 -5.12 115.22 107.16 1vpu n HIS 72 Ca 0.00 0.77 0.00 0.00 0.46 0.00 0.00 57.72 58.95 1vpu n HIS 72 Cb 0.00 2.06 0.00 0.00 -0.12 0.00 0.00 29.99 31.93 1vpu n HIS 72 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27 1vpu n LEU 73 N -3.03 0.00 0.00 0.27 -0.00 -0.88 -3.86 117.00 109.50 1vpu n LEU 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1vpu n LEU 73 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1vpu n LEU 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1vpu n ALA 74 N 0.00 0.00 0.24 1.47 0.00 -1.26 -3.87 120.51 117.09 1vpu n ALA 74 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1vpu n ALA 74 Cb 0.00 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 -0.97 0.00 0.13 -1.88 -3.22 132.00 126.06 1vpu h PRO 75 Ca 0.00 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.34 1vpu h PRO 75 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1vpu h PRO 75 CO 0.00 0.19 0.62 0.11 -0.23 0.00 0.00 178.00 178.69 1vpu h TRP 76 N 0.00 0.79 -0.67 1.56 0.09 -1.99 0.31 115.95 116.03 1vpu h TRP 76 Ca -0.00 0.03 0.03 0.00 0.09 0.00 0.00 58.89 59.03 1vpu h TRP 76 Cb 0.59 -0.24 -0.04 0.00 0.08 0.00 0.00 29.16 29.55 1vpu h TRP 76 CO 0.00 0.18 0.44 -0.44 0.09 0.00 0.00 178.44 178.71 1vpu h ASP 77 N 0.56 0.72 -0.92 0.11 3.32 -1.66 -1.08 116.42 117.47 1vpu h ASP 77 Ca 0.53 -0.01 0.25 0.00 0.02 0.00 0.00 57.03 57.82 1vpu h ASP 77 Cb 1.10 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.43 1vpu h ASP 77 CO -0.28 0.50 0.64 1.62 -1.72 0.00 0.00 179.24 180.01 1vpu h VAL 78 N 0.84 0.57 0.00 -1.35 3.04 -0.57 0.16 116.25 118.93 1vpu h VAL 78 Ca 0.26 -0.04 -0.36 0.00 -1.01 0.00 0.00 66.70 65.55 1vpu h VAL 78 Cb 0.02 0.44 -0.06 0.00 -2.01 0.00 0.00 31.29 29.67 1vpu h VAL 78 CO -0.07 0.02 -2.31 -0.67 -1.01 0.00 0.00 177.57 173.54 1vpu n ASP 79 N -4.35 2.10 0.07 3.17 2.03 -0.78 -4.68 116.55 114.10 1vpu n ASP 79 Ca 0.20 -0.01 -0.13 0.00 0.52 0.00 0.00 54.79 55.37 1vpu n ASP 79 Cb 0.91 -0.45 -0.09 0.00 -0.72 0.00 0.00 41.12 40.77 1vpu n ASP 79 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1vpu h ASP 80 N -0.24 -0.16 0.00 1.67 5.19 -1.04 -3.53 116.42 118.31 1vpu h ASP 80 Ca -0.54 -0.30 0.00 0.00 -0.62 0.00 0.00 57.03 55.57 1vpu h ASP 80 Cb 1.72 0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.27 1vpu h ASP 80 CO -0.16 0.24 0.00 -0.11 -3.12 0.00 0.00 179.24 176.09