#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 3.69 0.00 3.23 10.64 -1.26 -4.74 117.38 128.94 1vpu n GLN 38 Ca 0.00 -2.33 0.00 0.00 -1.83 0.00 0.00 57.00 52.84 1vpu n GLN 38 Cb 0.00 -2.67 0.00 0.00 -0.86 0.00 0.00 30.24 26.71 1vpu n GLN 38 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 1vpu n ILE 39 N 3.05 0.00 -0.12 -0.39 2.08 -1.26 -1.96 119.36 120.75 1vpu n ILE 39 Ca 0.72 0.91 0.24 0.00 0.56 0.00 0.00 62.75 65.17 1vpu n ILE 39 Cb 0.31 -1.74 0.68 0.00 -0.75 0.00 0.00 39.64 38.14 1vpu n ILE 39 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1vpu h ASP 40 N 0.00 0.06 -0.78 4.38 3.32 -1.85 0.13 116.42 121.68 1vpu h ASP 40 Ca 0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1vpu h ASP 40 Cb 0.00 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1vpu h ASP 40 CO 0.00 0.03 0.36 0.03 -1.72 0.00 0.00 179.24 177.93 1vpu h ARG 41 N 0.06 1.15 0.10 3.56 -0.00 -1.82 0.16 114.38 117.59 1vpu h ARG 41 Ca 0.37 -0.18 -0.15 0.00 -0.50 0.00 0.00 59.98 59.52 1vpu h ARG 41 Cb 1.38 -0.20 0.01 0.00 0.00 0.00 0.00 29.97 31.16 1vpu h ARG 41 CO -0.03 0.90 -0.67 1.37 0.00 0.00 0.00 179.97 181.55 1vpu h LEU 42 N 1.14 0.32 -0.74 3.04 -0.00 -0.37 -2.42 115.31 116.29 1vpu h LEU 42 Ca 0.27 -0.94 0.16 0.00 -0.00 0.00 0.00 57.88 57.37 1vpu h LEU 42 Cb 0.15 -0.11 -0.13 0.00 -0.00 0.00 0.00 40.66 40.57 1vpu h LEU 42 CO -0.03 1.31 -0.03 0.40 -0.00 0.00 0.00 178.44 180.10 1vpu h ILE 43 N -0.55 0.34 0.01 0.15 2.04 -1.05 0.79 117.51 119.24 1vpu h ILE 43 Ca -0.13 -0.03 -0.20 0.00 1.00 0.00 0.00 64.86 65.51 1vpu h ILE 43 Cb 1.48 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1vpu h ILE 43 CO 0.09 0.02 -0.93 -0.78 0.00 0.00 0.00 178.15 176.55 1vpu h ASP 44 N 0.09 0.05 -0.07 1.72 1.82 -1.06 -1.01 116.42 117.95 1vpu h ASP 44 Ca 0.39 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.98 1vpu h ASP 44 Cb 0.68 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 1vpu h ASP 44 CO -0.66 0.95 0.01 -0.09 -1.61 0.00 0.00 179.24 177.83 1vpu h ARG 45 N 0.01 0.11 0.00 0.28 2.43 -0.32 -1.34 114.38 115.56 1vpu h ARG 45 Ca -0.02 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1vpu h ARG 45 Cb 1.63 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.15 1vpu h ARG 45 CO 0.12 0.36 -0.57 0.82 -1.51 0.00 0.00 179.97 179.20 1vpu h ILE 46 N -0.15 1.29 -0.06 1.20 5.03 0.41 -3.21 117.51 122.02 1vpu h ILE 46 Ca 0.02 -2.02 -0.21 0.00 -0.12 0.00 0.00 64.86 62.53 1vpu h ILE 46 Cb 0.30 2.13 0.00 0.00 -3.03 0.00 0.00 36.82 36.22 1vpu h ILE 46 CO 0.00 0.56 -0.83 0.00 -0.68 0.00 0.00 178.15 177.20 1vpu h THR 47 N 0.00 1.36 -0.94 -0.27 1.03 -1.00 -3.23 112.91 109.87 1vpu h THR 47 Ca -0.01 -2.23 0.25 0.00 -0.01 0.00 0.00 66.41 64.41 1vpu h THR 47 Cb 1.08 2.22 -0.06 0.00 -1.07 0.00 0.00 68.15 70.32 1vpu h THR 47 CO 0.07 0.68 0.64 -0.33 -0.01 0.00 0.00 175.52 176.57 1vpu h GLU 48 N 0.31 0.20 -0.41 0.00 4.39 -1.25 0.52 114.58 118.34 1vpu h GLU 48 Ca -0.06 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1vpu h GLU 48 Cb 1.44 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.03 1vpu h GLU 48 CO 0.15 0.13 0.27 0.07 -1.16 0.00 0.00 179.01 178.47 1vpu h ARG 49 N 0.20 0.45 0.01 2.33 -0.00 -1.70 -2.25 114.38 113.43 1vpu h ARG 49 Ca 0.48 -0.03 -0.33 0.00 -0.00 0.00 0.00 59.98 60.10 1vpu h ARG 49 Cb 1.53 -0.10 -0.06 0.00 -0.00 0.00 0.00 29.97 31.34 1vpu h ARG 49 CO -0.11 0.30 -2.01 0.00 -0.00 0.00 0.00 179.97 178.14 1vpu n ALA 50 N -2.49 1.44 -0.69 0.08 0.00 0.53 -4.98 120.51 114.40 1vpu n ALA 50 Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1vpu n ALA 50 Cb 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -3.00 -1.33 -0.24 0.00 0.28 0.15 -4.80 120.64 111.70 1vpu n GLU 51 Ca -0.26 0.28 -0.07 0.00 -0.16 0.00 0.00 57.16 56.96 1vpu n GLU 51 Cb 1.08 -4.36 0.07 0.00 1.43 0.00 0.00 31.44 29.67 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 1.05 -0.81 -1.84 1.82 -1.89 -1.37 116.42 113.38 1vpu h ASP 52 Ca 0.00 -0.22 0.23 0.00 -0.39 0.00 0.00 57.03 56.65 1vpu h ASP 52 Cb 0.55 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 40.25 1vpu h ASP 52 CO 0.00 1.00 0.57 0.28 -1.61 0.00 0.00 179.24 179.49 1vpu h SER 53 N 1.05 0.05 -0.86 2.28 0.02 -1.85 -0.17 113.55 114.07 1vpu h SER 53 Ca 0.22 0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.35 1vpu h SER 53 Cb 0.36 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.83 1vpu h SER 53 CO 0.00 0.02 0.57 1.23 -1.14 0.00 0.00 176.83 177.51 1vpu h GLY 54 N 0.05 0.95 0.00 -3.77 0.00 -1.54 -0.97 103.07 97.79 1vpu h GLY 54 Ca 0.39 -0.22 -0.42 0.00 0.00 0.00 0.00 47.33 47.08 1vpu h GLY 54 CO -0.02 0.04 -2.33 -2.01 0.00 0.00 0.00 176.54 172.21 1vpu n ASN 55 N -4.53 1.95 -4.55 0.19 5.15 -0.21 -3.57 115.26 109.69 1vpu n ASN 55 Ca 0.18 0.35 -0.36 0.00 -0.60 0.00 0.00 54.58 54.14 1vpu n ASN 55 Cb 0.58 -0.83 -0.03 0.00 -0.53 0.00 0.00 39.78 38.97 1vpu n ASN 55 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1vpu s GLU 56 N -2.52 2.59 0.00 1.20 0.41 -0.41 -3.20 118.70 116.78 1vpu s GLU 56 Ca -0.37 0.46 0.00 0.00 -0.41 0.00 0.00 54.97 54.65 1vpu s GLU 56 Cb 0.13 -4.52 0.00 0.00 -1.78 0.00 0.00 34.13 27.97 1vpu s GLU 56 CO 0.49 -2.88 0.00 0.45 -0.49 0.00 0.00 175.26 172.84 1vpu n SER 57 N 13.10 0.00 0.00 -0.19 2.88 -1.26 -4.52 113.62 123.63 1vpu n SER 57 Ca 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1vpu n SER 57 Cb 0.51 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1vpu n SER 57 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1vpu n GLU 58 N -1.98 0.00 0.31 -1.46 0.28 -0.38 -0.87 120.64 116.54 1vpu n GLU 58 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.14 1vpu n GLU 58 Cb 0.00 0.00 0.77 0.00 1.43 0.00 0.00 31.44 33.64 1vpu n GLU 58 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1vpu h GLY 59 N 0.00 0.00 0.33 -1.84 0.00 -1.85 -2.65 103.07 97.06 1vpu h GLY 59 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.55 1vpu h GLY 59 CO 0.00 0.00 0.59 -1.80 0.00 0.00 0.00 176.54 175.33 1vpu h ASP 60 N 0.00 0.23 1.08 0.19 3.58 -1.38 0.28 116.42 120.40 1vpu h ASP 60 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1vpu h ASP 60 Cb 0.59 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1vpu h ASP 60 CO 0.00 0.09 0.00 1.56 -2.88 0.00 0.00 179.24 178.01 1vpu h GLN 61 N 0.23 0.00 0.00 0.28 4.20 -1.64 0.17 115.11 118.35 1vpu h GLN 61 Ca 0.44 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.84 1vpu h GLN 61 Cb 1.34 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.08 1vpu h GLN 61 CO -0.10 0.00 -2.02 -1.91 -0.67 0.00 0.00 178.83 174.13 1vpu n GLU 62 N -2.65 0.39 0.10 1.46 4.07 0.76 -4.25 120.64 120.53 1vpu n GLU 62 Ca 0.02 0.16 -0.22 0.00 -0.06 0.00 0.00 57.16 57.06 1vpu n GLU 62 Cb 0.32 -1.17 -0.15 0.00 -0.06 0.00 0.00 31.44 30.38 1vpu n GLU 62 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1vpu h GLU 63 N -0.59 0.48 0.00 5.31 4.11 -1.06 -3.43 114.58 119.40 1vpu h GLU 63 Ca -0.46 -0.75 0.00 0.00 0.07 0.00 0.00 59.36 58.22 1vpu h GLU 63 Cb 1.43 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1vpu h GLU 63 CO -0.26 1.35 0.00 1.28 0.07 0.00 0.00 179.01 181.45 1vpu n LEU 64 N -3.90 0.22 -1.48 3.06 4.32 -0.74 -5.06 117.00 113.42 1vpu n LEU 64 Ca -0.15 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.02 1vpu n LEU 64 Cb 0.96 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.67 1vpu n LEU 64 CO 0.56 0.00 -0.65 -0.24 -1.22 0.00 0.00 177.39 175.83 1vpu n SER 65 N -0.59 -8.11 0.00 -1.43 2.88 0.52 -4.69 113.62 102.21 1vpu n SER 65 Ca 0.00 1.48 0.00 0.00 -1.33 0.00 0.00 58.87 59.02 1vpu n SER 65 Cb 0.00 -5.09 0.00 0.00 -0.75 0.00 0.00 64.21 58.37 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 -4.33 0.00 -0.29 -1.46 0.00 -1.26 -4.11 120.51 109.06 1vpu n ALA 66 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1vpu n ALA 66 Cb 0.71 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.37 1vpu n ALA 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vpu h LEU 67 N 0.00 0.95 -5.29 0.00 3.38 -1.99 -3.18 115.31 109.18 1vpu h LEU 67 Ca 0.00 -0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.34 1vpu h LEU 67 Cb 0.00 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 40.55 1vpu h LEU 67 CO 0.00 0.66 3.46 0.52 0.09 0.00 0.00 178.44 183.16 1vpu n VAL 68 N -4.44 3.73 0.13 1.22 0.31 -1.26 -4.70 118.33 113.32 1vpu n VAL 68 Ca 0.11 -2.38 0.03 0.00 -0.01 0.00 0.00 64.34 62.09 1vpu n VAL 68 Cb 0.09 -2.51 0.15 0.00 -0.91 0.00 0.00 33.84 30.66 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 4.21 0.02 -1.44 5.55 -0.00 -1.20 -4.38 120.64 123.40 1vpu n GLU 69 Ca 0.67 0.47 -0.47 0.00 -0.00 0.00 0.00 57.16 57.83 1vpu n GLU 69 Cb 0.24 -1.57 -0.10 0.00 -0.00 0.00 0.00 31.44 30.01 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 -1.62 0.44 -1.61 3.44 0.63 -1.26 -0.42 116.66 116.26 1vpu n ARG 70 Ca 0.01 0.07 -0.16 0.00 -0.92 0.00 0.00 57.85 56.85 1vpu n ARG 70 Cb 0.04 -2.06 -0.06 0.00 0.45 0.00 0.00 32.46 30.84 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 6.65 1.17 4.24 5.14 0.00 -1.26 -2.69 105.19 118.44 1vpu n GLY 71 Ca 0.53 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.19 1vpu n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vpu n HIS 72 N -2.29 -1.63 -1.48 1.61 8.25 0.44 -4.78 115.22 115.34 1vpu n HIS 72 Ca -0.16 0.77 -0.46 0.00 -0.26 0.00 0.00 57.72 57.61 1vpu n HIS 72 Cb 0.53 -2.91 -0.08 0.00 1.12 0.00 0.00 29.99 28.66 1vpu n HIS 72 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1vpu n LEU 73 N -4.36 1.84 0.00 2.41 -0.00 -1.09 -4.64 117.00 111.16 1vpu n LEU 73 Ca 0.01 0.16 -0.00 0.00 -0.00 0.00 0.00 56.01 56.18 1vpu n LEU 73 Cb 0.52 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 1vpu n LEU 73 CO 0.86 -0.92 0.09 0.00 -0.00 0.00 0.00 177.39 177.42 1vpu n ALA 74 N 11.34 -0.29 -0.07 1.47 0.00 -1.26 -4.90 120.51 126.80 1vpu n ALA 74 Ca 0.45 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.84 1vpu n ALA 74 Cb 0.26 0.04 0.38 0.00 0.00 0.00 0.00 19.45 20.13 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 0.66 -0.98 0.00 0.13 -1.88 -2.22 132.00 127.72 1vpu h PRO 75 Ca -0.02 -0.04 0.19 0.00 -0.87 0.00 0.00 66.00 65.25 1vpu h PRO 75 Cb 0.11 -0.15 -0.09 0.00 0.13 0.00 0.00 31.00 31.00 1vpu h PRO 75 CO 0.03 0.44 0.61 0.11 -0.23 0.00 0.00 178.00 178.96 1vpu h TRP 76 N 0.68 0.92 0.04 1.56 0.09 -1.92 0.57 115.95 117.89 1vpu h TRP 76 Ca 0.20 0.03 -0.37 0.00 0.09 0.00 0.00 58.89 58.84 1vpu h TRP 76 Cb -0.03 -0.28 -0.05 0.00 0.08 0.00 0.00 29.16 28.88 1vpu h TRP 76 CO -0.00 0.24 -2.13 -0.40 0.09 0.00 0.00 178.44 176.23 1vpu n ASP 77 N -4.67 2.01 -0.20 0.11 5.75 -1.09 -4.30 116.55 114.16 1vpu n ASP 77 Ca 0.22 0.15 0.12 0.00 -0.01 0.00 0.00 54.79 55.26 1vpu n ASP 77 Cb 0.58 -0.72 0.42 0.00 -1.03 0.00 0.00 41.12 40.37 1vpu n ASP 77 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1vpu h VAL 78 N -0.30 0.87 -0.47 2.12 2.07 -1.27 -1.05 116.25 118.22 1vpu h VAL 78 Ca -0.51 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1vpu h VAL 78 Cb 1.81 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1vpu h VAL 78 CO -0.10 0.11 0.31 -0.78 0.02 0.00 0.00 177.57 177.12 1vpu h ASP 79 N 0.59 0.49 -0.04 0.57 1.82 -1.07 -3.27 116.42 115.51 1vpu h ASP 79 Ca 0.37 -0.01 -0.69 0.00 -0.39 0.00 0.00 57.03 56.31 1vpu h ASP 79 Cb 0.63 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 1vpu h ASP 79 CO -0.14 0.35 2.91 0.47 -1.61 0.00 0.00 179.24 181.22 1vpu n ASP 80 N -4.47 3.64 0.00 2.28 9.92 -0.40 -5.06 116.55 122.46 1vpu n ASP 80 Ca 0.05 -2.81 0.00 0.00 -0.53 0.00 0.00 54.79 51.50 1vpu n ASP 80 Cb 0.10 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.03 1vpu n ASP 80 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51