#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p51 s ASN 2 N 0.00 5.14 0.13 6.12 2.20 -1.26 -4.94 114.94 122.33 1p51 s ASN 2 Ca 0.00 -0.76 -0.24 0.00 -0.94 0.00 0.00 52.86 50.92 1p51 s ASN 2 Cb 0.00 0.14 -0.04 0.00 -2.00 0.00 0.00 41.25 39.36 1p51 s ASN 2 CO 0.00 -1.29 1.65 0.50 -2.94 0.00 0.00 177.10 175.02 1p51 h LYS 3 N 0.21 -0.28 -0.57 3.55 3.64 -2.05 -0.61 116.57 120.45 1p51 h LYS 3 Ca -0.32 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.16 1p51 h LYS 3 Cb 1.29 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.11 1p51 h LYS 3 CO 0.41 -0.19 0.24 0.78 -2.27 0.00 0.00 179.45 178.43 1p51 h GLY 4 N -0.29 0.80 1.26 5.01 0.00 -1.99 0.16 103.07 108.02 1p51 h GLY 4 Ca 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1p51 h GLY 4 CO -0.23 0.04 0.07 0.83 0.00 0.00 0.00 176.54 177.24 1p51 h GLU 5 N 0.45 0.90 -0.67 4.80 5.08 -1.90 -2.50 114.58 120.74 1p51 h GLU 5 Ca 0.28 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1p51 h GLU 5 Cb 0.28 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1p51 h GLU 5 CO -0.25 0.86 0.12 1.25 -1.00 0.00 0.00 179.01 179.99 1p51 h LEU 6 N 0.85 1.06 -0.67 1.33 5.85 -0.05 -2.87 115.31 120.81 1p51 h LEU 6 Ca 0.17 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1p51 h LEU 6 Cb 0.41 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1p51 h LEU 6 CO 0.01 1.05 0.41 0.58 -0.34 0.00 0.00 178.44 180.15 1p51 h VAL 7 N 1.03 1.08 -0.52 1.05 2.07 -0.48 -0.28 116.25 120.20 1p51 h VAL 7 Ca 0.21 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1p51 h VAL 7 Cb 0.43 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1p51 h VAL 7 CO 0.01 0.15 0.30 0.44 0.02 0.00 0.00 177.57 178.48 1p51 h ASP 8 N 0.81 0.46 -0.17 0.57 3.32 -1.32 0.20 116.42 120.30 1p51 h ASP 8 Ca 0.27 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.21 1p51 h ASP 8 Cb 0.03 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1p51 h ASP 8 CO -0.11 0.32 -0.31 0.00 -1.72 0.00 0.00 179.24 177.42 1p51 h ALA 9 N 1.25 0.88 -0.21 3.45 0.00 -1.26 -2.01 119.26 121.36 1p51 h ALA 9 Ca 0.22 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1p51 h ALA 9 Cb 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1p51 h ALA 9 CO -0.12 0.63 -0.26 0.28 0.00 0.00 0.00 179.25 179.79 1p51 h VAL 10 N 0.56 1.33 -0.58 0.00 2.07 -0.67 -0.77 116.25 118.19 1p51 h VAL 10 Ca 0.07 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1p51 h VAL 10 Cb 0.81 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 1p51 h VAL 10 CO 0.07 0.44 0.33 0.00 0.02 0.00 0.00 177.57 178.43 1p51 h ALA 11 N 0.64 1.49 -0.22 1.67 0.00 -0.60 -0.59 119.26 121.65 1p51 h ALA 11 Ca 0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1p51 h ALA 11 Cb 0.82 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1p51 h ALA 11 CO 0.06 0.43 -0.24 1.49 0.00 0.00 0.00 179.25 180.99 1p51 h GLU 12 N 0.80 0.55 -0.11 0.00 4.57 -1.26 -1.59 114.58 117.52 1p51 h GLU 12 Ca 0.21 -0.30 -0.22 0.00 -1.18 0.00 0.00 59.36 57.87 1p51 h GLU 12 Cb -0.00 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1p51 h GLU 12 CO -0.04 0.89 -0.79 0.87 -1.18 0.00 0.00 179.01 178.76 1p51 h LYS 13 N 0.24 0.66 -0.32 1.92 1.57 -0.83 -3.25 116.57 116.56 1p51 h LYS 13 Ca 0.03 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1p51 h LYS 13 Cb 0.79 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1p51 h LYS 13 CO 0.06 1.18 0.00 0.00 -0.57 0.00 0.00 179.45 180.11 1p51 n ALA 14 N -2.58 2.46 -3.76 3.86 0.00 -0.26 -4.96 120.51 115.28 1p51 n ALA 14 Ca -0.07 -0.77 -0.23 0.00 0.00 0.00 0.00 53.44 52.37 1p51 n ALA 14 Cb 0.75 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 19.24 1p51 n ALA 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1p51 n SER 15 N 0.88 -1.40 -4.33 0.00 7.64 -1.09 -5.01 113.62 110.30 1p51 n SER 15 Ca 0.17 -0.89 -0.19 0.00 1.01 0.00 0.00 58.87 58.97 1p51 n SER 15 Cb 0.45 -3.75 -0.10 0.00 -1.01 0.00 0.00 64.21 59.79 1p51 n SER 15 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1p51 s VAL 16 N -3.73 0.81 0.66 0.44 -7.23 -0.62 -5.06 120.40 105.67 1p51 s VAL 16 Ca 0.05 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.11 1p51 s VAL 16 Cb -0.02 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 1p51 s VAL 16 CO 0.84 0.00 1.05 0.28 -0.31 0.00 0.00 175.10 176.95 1p51 s THR 17 N -3.51 4.34 0.30 5.32 -1.32 -1.26 -4.49 115.64 115.02 1p51 s THR 17 Ca 0.36 0.76 0.02 0.00 -1.21 0.00 0.00 61.69 61.62 1p51 s THR 17 Cb 0.08 -3.62 0.13 0.00 -1.51 0.00 0.00 72.50 67.57 1p51 s THR 17 CO 0.15 -0.99 1.81 0.11 -2.21 0.00 0.00 174.62 173.48 1p51 h LYS 18 N -0.53 0.59 -0.59 7.08 1.57 -1.92 -1.03 116.57 121.74 1p51 h LYS 18 Ca -0.44 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.10 1p51 h LYS 18 Cb 1.20 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1p51 h LYS 18 CO 0.59 0.65 0.01 -0.22 -0.57 0.00 0.00 179.45 179.92 1p51 h LYS 19 N 0.55 1.02 -0.22 3.15 3.64 -1.97 -1.92 116.57 120.82 1p51 h LYS 19 Ca 0.11 -0.31 -0.19 0.00 -1.27 0.00 0.00 60.65 58.99 1p51 h LYS 19 Cb 0.44 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1p51 h LYS 19 CO 0.02 0.99 -0.60 0.37 -2.27 0.00 0.00 179.45 177.96 1p51 h GLN 20 N 0.94 0.80 -0.77 1.90 4.15 -1.87 -2.30 115.11 117.95 1p51 h GLN 20 Ca 0.17 -0.56 -0.05 0.00 0.77 0.00 0.00 58.65 58.97 1p51 h GLN 20 Cb 0.52 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 1p51 h GLN 20 CO 0.03 1.18 0.27 0.00 -1.93 0.00 0.00 178.83 178.38 1p51 h ALA 21 N 0.61 1.00 -0.15 3.38 0.00 -1.15 -2.36 119.26 120.59 1p51 h ALA 21 Ca -0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1p51 h ALA 21 Cb 1.22 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1p51 h ALA 21 CO 0.13 0.66 -0.07 0.22 0.00 0.00 0.00 179.25 180.20 1p51 h ASP 22 N 1.13 0.32 -0.89 0.00 1.82 -1.37 -1.73 116.42 115.70 1p51 h ASP 22 Ca 0.25 -0.41 0.01 0.00 -0.39 0.00 0.00 57.03 56.49 1p51 h ASP 22 Cb 0.28 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.15 1p51 h ASP 22 CO -0.01 0.65 0.59 0.00 -1.61 0.00 0.00 179.24 178.86 1p51 h ALA 23 N 0.67 1.37 -0.08 -0.78 0.00 -1.34 0.20 119.26 119.31 1p51 h ALA 23 Ca 0.03 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1p51 h ALA 23 Cb 0.53 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1p51 h ALA 23 CO 0.02 0.58 -0.74 0.28 0.00 0.00 0.00 179.25 179.39 1p51 h VAL 24 N 1.19 1.33 -0.49 0.00 2.07 -1.46 -2.37 116.25 116.52 1p51 h VAL 24 Ca 0.33 -2.02 -0.03 0.00 0.82 0.00 0.00 66.70 65.81 1p51 h VAL 24 Cb -0.13 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1p51 h VAL 24 CO -0.07 0.62 0.21 0.25 0.02 0.00 0.00 177.57 178.59 1p51 h LEU 25 N 0.27 0.66 -0.41 2.57 5.85 -0.91 0.15 115.31 123.49 1p51 h LEU 25 Ca -0.07 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1p51 h LEU 25 Cb 1.39 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1p51 h LEU 25 CO 0.15 0.64 0.27 0.74 -0.34 0.00 0.00 178.44 179.90 1p51 h THR 26 N 0.65 1.11 -0.79 1.05 2.02 -0.69 -1.12 112.91 115.13 1p51 h THR 26 Ca 0.16 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1p51 h THR 26 Cb 0.17 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1p51 h THR 26 CO -0.02 0.10 0.38 0.00 0.37 0.00 0.00 175.52 176.36 1p51 h ALA 27 N 1.15 1.02 -0.44 6.16 0.00 -1.11 -0.90 119.26 125.14 1p51 h ALA 27 Ca 0.15 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1p51 h ALA 27 Cb -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1p51 h ALA 27 CO -0.03 0.59 -0.19 0.00 0.00 0.00 0.00 179.25 179.61 1p51 h ALA 28 N 1.20 0.82 -0.02 0.00 0.00 -0.51 -1.34 119.26 119.40 1p51 h ALA 28 Ca 0.27 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1p51 h ALA 28 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1p51 h ALA 28 CO -0.03 0.65 -0.76 -0.07 0.00 0.00 0.00 179.25 179.03 1p51 h LEU 29 N 0.77 0.24 -0.17 0.00 3.38 -1.03 -2.46 115.31 116.03 1p51 h LEU 29 Ca 0.11 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1p51 h LEU 29 Cb 0.73 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1p51 h LEU 29 CO 0.06 0.91 -0.45 -0.33 0.09 0.00 0.00 178.44 178.72 1p51 h GLU 30 N 0.12 0.60 -0.64 1.13 5.08 -1.09 -2.66 114.58 117.12 1p51 h GLU 30 Ca -0.03 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1p51 h GLU 30 Cb 1.34 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.63 1p51 h GLU 30 CO 0.12 1.04 0.33 1.15 -1.00 0.00 0.00 179.01 180.64 1p51 h THR 31 N 0.26 1.21 -0.31 1.13 2.02 -1.27 -1.53 112.91 114.43 1p51 h THR 31 Ca -0.01 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1p51 h THR 31 Cb 1.07 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1p51 h THR 31 CO 0.10 0.24 0.20 0.40 0.37 0.00 0.00 175.52 176.83 1p51 h ILE 32 N 0.89 1.09 -0.31 3.11 2.04 -1.48 -0.71 117.51 122.12 1p51 h ILE 32 Ca 0.22 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1p51 h ILE 32 Cb 0.09 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1p51 h ILE 32 CO -0.03 0.08 0.16 0.40 0.00 0.00 0.00 178.15 178.76 1p51 h ILE 33 N 0.41 1.00 -0.62 -0.67 2.04 -1.25 -1.82 117.51 116.59 1p51 h ILE 33 Ca 0.11 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1p51 h ILE 33 Cb -0.04 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1p51 h ILE 33 CO -0.02 0.06 0.06 -0.33 0.00 0.00 0.00 178.15 177.92 1p51 h GLU 34 N 0.33 1.05 -0.25 2.37 4.39 -1.12 -1.23 114.58 120.12 1p51 h GLU 34 Ca 0.13 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1p51 h GLU 34 Cb 0.04 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1p51 h GLU 34 CO -0.08 0.99 0.11 0.00 -1.16 0.00 0.00 179.01 178.87 1p51 h ALA 35 N 1.08 0.33 -0.59 3.43 0.00 -0.94 -1.99 119.26 120.58 1p51 h ALA 35 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1p51 h ALA 35 Cb 0.48 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1p51 h ALA 35 CO 0.02 -0.09 0.33 0.28 0.00 0.00 0.00 179.25 179.79 1p51 h VAL 36 N 0.26 1.19 -0.73 0.00 2.07 -1.25 0.16 116.25 117.95 1p51 h VAL 36 Ca 0.08 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1p51 h VAL 36 Cb 0.16 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1p51 h VAL 36 CO -0.01 0.20 0.25 0.28 0.02 0.00 0.00 177.57 178.31 1p51 h SER 37 N 0.79 1.04 -0.07 0.57 0.02 -1.04 -1.69 113.55 113.17 1p51 h SER 37 Ca 0.21 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1p51 h SER 37 Cb 0.03 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1p51 h SER 37 CO -0.03 0.95 0.00 -1.54 -1.14 0.00 0.00 176.83 175.06 1p51 n SER 38 N -4.26 0.54 0.00 3.07 3.41 -0.76 -4.89 113.62 110.72 1p51 n SER 38 Ca 0.06 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 1p51 n SER 38 Cb 0.21 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1p51 n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p51 n GLY 39 N 0.82 0.76 3.85 5.00 0.00 -0.63 -5.07 105.19 109.91 1p51 n GLY 39 Ca 0.11 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 1p51 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p51 s ASP 40 N -2.56 6.39 -0.11 1.61 3.68 0.55 -4.98 116.67 121.26 1p51 s ASP 40 Ca 0.00 0.47 -0.24 0.00 2.13 0.00 0.00 52.55 54.92 1p51 s ASP 40 Cb 0.00 -2.09 -0.03 0.00 -1.45 0.00 0.00 42.92 39.35 1p51 s ASP 40 CO 0.00 0.35 0.72 -0.75 0.13 0.00 0.00 175.17 175.63 1p51 s LYS 41 N -0.75 4.38 -0.45 4.34 2.20 -1.26 -3.37 119.74 124.83 1p51 s LYS 41 Ca 0.15 0.88 -0.14 0.00 -0.36 0.00 0.00 55.97 56.50 1p51 s LYS 41 Cb -0.12 -3.49 0.06 0.00 -1.51 0.00 0.00 37.83 32.77 1p51 s LYS 41 CO 0.04 -0.06 0.35 0.08 -0.36 0.00 0.00 175.35 175.39 1p51 s VAL 42 N 1.25 5.03 -0.24 4.02 1.01 0.94 -4.95 120.40 127.46 1p51 s VAL 42 Ca 0.37 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 1p51 s VAL 42 Cb -0.17 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1p51 s VAL 42 CO 0.16 -0.51 0.10 -0.89 0.00 0.00 0.00 175.10 173.96 1p51 s THR 43 N 1.61 4.66 -0.28 3.92 2.01 -1.26 0.35 115.64 126.64 1p51 s THR 43 Ca 0.04 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.01 1p51 s THR 43 Cb -0.23 -3.17 0.08 0.00 0.01 0.00 0.00 72.50 69.19 1p51 s THR 43 CO 0.06 0.35 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.55 1p51 s LEU 44 N 1.32 3.59 0.18 4.42 1.43 0.11 -4.99 118.68 124.74 1p51 s LEU 44 Ca 0.05 -1.61 -0.33 0.00 -1.03 0.00 0.00 54.13 51.21 1p51 s LEU 44 Cb -0.15 -1.44 -0.14 0.00 0.03 0.00 0.00 46.19 44.49 1p51 s LEU 44 CO 0.05 -0.28 1.39 1.33 0.23 0.00 0.00 176.35 179.07 1p51 n VAL 45 N 4.46 0.56 0.00 -1.59 0.24 -1.26 -0.92 118.33 119.82 1p51 n VAL 45 Ca -0.07 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1p51 n VAL 45 Cb 0.42 -1.27 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 1p51 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p51 n GLY 46 N 2.49 2.08 0.00 7.63 0.00 -1.26 -4.74 105.19 111.40 1p51 n GLY 46 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1p51 n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1p51 n PHE 47 N 0.00 0.00 -3.48 1.61 7.35 -0.85 -2.06 117.46 120.03 1p51 n PHE 47 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1p51 n PHE 47 Cb 0.00 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 39.71 1p51 n PHE 47 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1p51 n GLY 48 N 0.70 -1.21 3.15 7.13 0.00 -0.10 0.38 105.19 115.24 1p51 n GLY 48 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1p51 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p51 s SER 49 N -4.00 1.87 -0.06 1.61 1.04 -0.05 0.04 113.70 114.15 1p51 s SER 49 Ca 0.00 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1p51 s SER 49 Cb 0.00 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1p51 s SER 49 CO 0.00 0.16 -0.06 -0.36 0.98 0.00 0.00 173.24 173.96 1p51 s PHE 50 N -0.51 2.95 0.07 5.02 0.40 0.15 -0.63 117.98 125.44 1p51 s PHE 50 Ca 0.05 0.03 -0.22 0.00 -0.60 0.00 0.00 56.93 56.20 1p51 s PHE 50 Cb -0.07 -1.70 0.05 0.00 0.51 0.00 0.00 43.02 41.81 1p51 s PHE 50 CO 0.00 0.35 0.52 -1.83 0.70 0.00 0.00 175.22 174.96 1p51 s GLU 51 N -0.91 1.08 0.37 0.44 -1.05 -1.13 -0.04 118.70 117.45 1p51 s GLU 51 Ca 0.13 -0.32 -0.24 0.00 -0.15 0.00 0.00 54.97 54.39 1p51 s GLU 51 Cb -0.11 0.49 -0.10 0.00 -0.44 0.00 0.00 34.13 33.97 1p51 s GLU 51 CO 0.02 -0.40 0.96 -1.12 0.95 0.00 0.00 175.26 175.67 1p51 s SER 52 N -2.17 7.12 -0.04 0.83 0.01 -1.26 -0.82 113.70 117.37 1p51 s SER 52 Ca -0.03 1.83 0.01 0.00 1.31 0.00 0.00 55.95 59.06 1p51 s SER 52 Cb -0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.68 1p51 s SER 52 CO -0.04 -0.23 -0.05 -0.13 0.41 0.00 0.00 173.24 173.19 1p51 s ARG 53 N -2.47 0.87 0.10 12.44 0.52 -0.30 -4.90 118.95 125.22 1p51 s ARG 53 Ca 0.55 -0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.31 1p51 s ARG 53 Cb -0.16 -0.85 -0.06 0.00 0.52 0.00 0.00 34.95 34.40 1p51 s ARG 53 CO 0.21 -0.04 1.00 -1.21 0.02 0.00 0.00 175.30 175.28 1p51 s GLU 54 N 0.76 4.65 -0.08 3.54 0.41 -1.26 -1.18 118.70 125.53 1p51 s GLU 54 Ca -0.11 1.51 0.03 0.00 -0.41 0.00 0.00 54.97 56.00 1p51 s GLU 54 Cb -0.13 -3.37 -0.01 0.00 -1.78 0.00 0.00 34.13 28.83 1p51 s GLU 54 CO 0.01 0.12 -0.18 1.03 -0.49 0.00 0.00 175.26 175.75 1p51 s ARG 55 N 0.14 2.88 0.62 1.61 1.81 0.66 -4.96 118.95 121.71 1p51 s ARG 55 Ca 0.49 -0.78 -0.09 0.00 -1.72 0.00 0.00 55.73 53.62 1p51 s ARG 55 Cb -0.24 -2.39 -0.02 0.00 -0.45 0.00 0.00 34.95 31.85 1p51 s ARG 55 CO 0.30 0.36 0.99 0.15 -0.68 0.00 0.00 175.30 176.43 1p51 s LYS 56 N -0.07 3.26 0.31 3.54 1.02 -1.26 -2.33 119.74 124.20 1p51 s LYS 56 Ca -0.04 0.46 -0.30 0.00 0.02 0.00 0.00 55.97 56.11 1p51 s LYS 56 Cb -0.14 -2.14 -0.11 0.00 -0.52 0.00 0.00 37.83 34.92 1p51 s LYS 56 CO 0.04 -0.67 1.58 0.00 -0.92 0.00 0.00 175.35 175.38 1p51 s ALA 57 N -3.14 3.72 0.02 5.17 0.00 -1.26 -4.56 121.76 121.71 1p51 s ALA 57 Ca 0.55 1.58 0.01 0.00 0.00 0.00 0.00 51.96 54.10 1p51 s ALA 57 Cb -0.11 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 1p51 s ALA 57 CO 0.51 -1.00 -0.06 -0.98 0.00 0.00 0.00 175.76 174.23 1p51 s ARG 58 N -0.75 0.41 0.35 0.00 1.70 -1.10 -4.96 118.95 114.60 1p51 s ARG 58 Ca 0.62 -0.49 -0.27 0.00 -0.47 0.00 0.00 55.73 55.12 1p51 s ARG 58 Cb -0.48 -0.24 -0.09 0.00 -0.57 0.00 0.00 34.95 33.57 1p51 s ARG 58 CO 0.50 0.05 1.20 -1.21 -1.08 0.00 0.00 175.30 174.76 1p51 s GLU 59 N -0.96 4.29 0.30 3.89 2.02 -1.26 -1.76 118.70 125.22 1p51 s GLU 59 Ca -0.06 1.95 0.06 0.00 0.02 0.00 0.00 54.97 56.94 1p51 s GLU 59 Cb -0.07 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.22 1p51 s GLU 59 CO -0.00 -0.15 0.28 0.41 0.02 0.00 0.00 175.26 175.82 1p51 n GLY 60 N 0.82 2.90 2.80 -1.39 0.00 0.11 -4.86 105.19 105.58 1p51 n GLY 60 Ca 0.02 -1.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.01 1p51 n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p51 s ARG 61 N -3.16 0.43 -0.06 1.61 3.52 -1.26 -0.87 118.95 119.17 1p51 s ARG 61 Ca 0.35 0.09 -0.30 0.00 -0.13 0.00 0.00 55.73 55.74 1p51 s ARG 61 Cb 0.01 -0.68 -0.06 0.00 -1.56 0.00 0.00 34.95 32.66 1p51 s ARG 61 CO 0.25 -0.19 1.79 1.21 -0.81 0.00 0.00 175.30 177.54 1p51 s ASN 62 N 1.38 6.48 0.52 -2.12 3.84 -1.18 -4.90 114.94 118.95 1p51 s ASN 62 Ca -0.05 2.27 0.30 0.00 0.21 0.00 0.00 52.86 55.59 1p51 s ASN 62 Cb -0.13 -2.53 1.32 0.00 -0.55 0.00 0.00 41.25 39.36 1p51 s ASN 62 CO -0.02 -1.08 1.99 1.55 -2.79 0.00 0.00 177.10 176.74 1p51 h PRO 63 N 10.41 0.00 0.00 0.43 0.13 -1.96 0.23 132.00 141.24 1p51 h PRO 63 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1p51 h PRO 63 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p51 h PRO 63 CO 0.96 0.11 -1.11 1.63 -0.23 0.00 0.00 178.00 179.36 1p51 n LYS 64 N -3.33 0.45 0.00 0.86 4.76 -1.26 -4.49 118.16 115.15 1p51 n LYS 64 Ca -0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1p51 n LYS 64 Cb 0.31 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 1p51 n LYS 64 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1p51 n THR 65 N -2.27 0.00 -0.58 -0.18 -2.24 -1.18 -5.00 114.28 102.83 1p51 n THR 65 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1p51 n THR 65 Cb 0.49 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1p51 n THR 65 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p51 n ASN 66 N -1.55 0.00 -4.64 3.42 5.15 0.80 -4.97 115.26 113.47 1p51 n ASN 66 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 1p51 n ASN 66 Cb 0.18 -1.00 -0.02 0.00 -0.53 0.00 0.00 39.78 38.40 1p51 n ASN 66 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1p51 s GLU 67 N -0.33 3.99 0.30 1.20 2.12 -1.26 -4.77 118.70 119.95 1p51 s GLU 67 Ca 0.00 1.46 -0.29 0.00 0.36 0.00 0.00 54.97 56.50 1p51 s GLU 67 Cb 0.00 -3.88 -0.13 0.00 0.26 0.00 0.00 34.13 30.39 1p51 s GLU 67 CO 0.00 -1.03 1.37 1.17 -0.54 0.00 0.00 175.26 176.23 1p51 n LYS 68 N 7.17 2.16 -4.12 4.30 3.00 -1.26 -3.11 118.16 126.30 1p51 n LYS 68 Ca 0.15 0.76 -0.08 0.00 -0.00 0.00 0.00 58.31 59.14 1p51 n LYS 68 Cb 0.46 -2.40 -0.10 0.00 0.00 0.00 0.00 35.03 32.99 1p51 n LYS 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1p51 s MET 69 N -1.18 0.75 -0.24 1.64 0.23 -0.05 -4.92 119.30 115.53 1p51 s MET 69 Ca 0.61 -1.31 -0.10 0.00 -1.03 0.00 0.00 55.69 53.86 1p51 s MET 69 Cb -0.59 0.19 -0.05 0.00 -1.53 0.00 0.00 34.83 32.86 1p51 s MET 69 CO 0.56 -0.16 0.14 -2.00 -2.03 0.00 0.00 175.02 171.53 1p51 s GLU 70 N -3.96 4.00 -0.31 3.16 2.12 -1.26 0.09 118.70 122.54 1p51 s GLU 70 Ca 0.14 -0.31 -0.24 0.00 0.36 0.00 0.00 54.97 54.92 1p51 s GLU 70 Cb 0.08 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.98 1p51 s GLU 70 CO -0.05 0.03 0.82 0.42 -0.54 0.00 0.00 175.26 175.94 1p51 s ILE 71 N 1.12 4.77 0.76 -3.70 1.01 -0.72 -4.95 121.20 119.48 1p51 s ILE 71 Ca 0.07 1.25 -0.15 0.00 0.00 0.00 0.00 60.65 61.82 1p51 s ILE 71 Cb -0.14 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.20 1p51 s ILE 71 CO 0.05 -0.27 1.14 -0.81 0.00 0.00 0.00 174.94 175.05 1p51 n PRO 72 N 6.26 0.44 -2.12 2.79 -0.04 -1.26 -2.70 135.00 138.37 1p51 n PRO 72 Ca 0.05 0.22 -0.41 0.00 -0.04 0.00 0.00 63.50 63.32 1p51 n PRO 72 Cb 0.48 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.53 1p51 n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p51 s ALA 73 N -1.90 3.50 0.36 0.55 0.00 -1.26 -4.69 121.76 118.32 1p51 s ALA 73 Ca 0.75 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1p51 s ALA 73 Cb -0.32 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1p51 s ALA 73 CO 0.49 -0.64 0.46 -0.08 0.00 0.00 0.00 175.76 175.99 1p51 s THR 74 N -1.04 0.00 -0.11 0.00 -1.32 -0.99 -4.95 115.64 107.24 1p51 s THR 74 Ca 0.50 -1.66 0.03 0.00 -1.21 0.00 0.00 61.69 59.35 1p51 s THR 74 Cb -0.40 -2.67 0.00 0.00 -1.51 0.00 0.00 72.50 67.93 1p51 s THR 74 CO 0.52 0.00 -0.22 0.00 -2.21 0.00 0.00 174.62 172.71 1p51 s ARG 75 N -2.96 2.87 0.05 7.08 1.70 -1.26 -0.24 118.95 126.19 1p51 s ARG 75 Ca 0.32 -0.81 0.06 0.00 -0.47 0.00 0.00 55.73 54.83 1p51 s ARG 75 Cb -0.00 -2.22 -0.04 0.00 -0.57 0.00 0.00 34.95 32.12 1p51 s ARG 75 CO 0.23 0.11 -0.11 0.14 -1.08 0.00 0.00 175.30 174.59 1p51 s VAL 76 N 0.52 3.33 0.23 4.99 -7.23 -0.32 -4.91 120.40 117.00 1p51 s VAL 76 Ca -0.15 -1.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.65 1p51 s VAL 76 Cb -0.17 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.20 1p51 s VAL 76 CO 0.05 0.27 1.23 -2.84 -0.31 0.00 0.00 175.10 173.50 1p51 s PRO 77 N -1.73 4.47 0.33 4.82 0.02 -1.26 -1.15 135.00 140.49 1p51 s PRO 77 Ca 0.18 1.97 0.06 0.00 0.02 0.00 0.00 61.00 63.23 1p51 s PRO 77 Cb -0.11 -3.19 -0.06 0.00 0.02 0.00 0.00 34.50 31.16 1p51 s PRO 77 CO 0.09 -0.10 -0.00 0.00 -0.33 0.00 0.00 177.00 176.66 1p51 s ALA 78 N -0.39 2.54 -0.10 -1.55 0.00 -0.00 -4.92 121.76 117.34 1p51 s ALA 78 Ca 0.52 -2.05 -0.10 0.00 0.00 0.00 0.00 51.96 50.33 1p51 s ALA 78 Cb -0.35 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1p51 s ALA 78 CO 0.41 -0.17 0.28 0.12 0.00 0.00 0.00 175.76 176.40 1p51 s PHE 79 N -3.05 -0.30 -0.10 0.00 5.36 -1.26 -2.85 117.98 115.78 1p51 s PHE 79 Ca 0.33 0.74 0.04 0.00 -0.96 0.00 0.00 56.93 57.09 1p51 s PHE 79 Cb 0.07 0.10 -0.00 0.00 -0.34 0.00 0.00 43.02 42.85 1p51 s PHE 79 CO 0.15 -0.15 -0.24 -1.12 -1.46 0.00 0.00 175.22 172.40 1p51 s SER 80 N 0.15 3.03 0.04 6.13 0.01 0.20 -4.98 113.70 118.28 1p51 s SER 80 Ca -0.00 -0.55 -0.29 0.00 1.31 0.00 0.00 55.95 56.42 1p51 s SER 80 Cb -0.02 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.82 1p51 s SER 80 CO 0.00 0.16 0.93 0.00 0.41 0.00 0.00 173.24 174.75 1p51 s ALA 81 N 0.32 3.22 0.87 1.44 0.00 -1.26 -0.87 121.76 125.48 1p51 s ALA 81 Ca -0.18 0.50 -0.13 0.00 0.00 0.00 0.00 51.96 52.16 1p51 s ALA 81 Cb -0.18 -3.26 0.12 0.00 0.00 0.00 0.00 23.12 19.80 1p51 s ALA 81 CO 0.08 -0.12 1.17 0.20 0.00 0.00 0.00 175.76 177.09 1p51 s GLY 82 N 0.54 1.60 0.16 0.00 0.00 0.16 -4.83 107.32 104.95 1p51 s GLY 82 Ca 0.48 -0.64 -0.16 0.00 0.00 0.00 0.00 44.72 44.40 1p51 s GLY 82 CO 0.28 -0.09 1.74 1.70 0.00 0.00 0.00 173.10 176.72 1p51 h LYS 83 N -1.33 0.22 -0.56 2.90 3.64 -1.85 -1.82 116.57 117.77 1p51 h LYS 83 Ca -0.48 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1p51 h LYS 83 Cb 1.32 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 1p51 h LYS 83 CO 0.62 0.15 0.37 1.25 -2.27 0.00 0.00 179.45 179.56 1p51 h LEU 84 N 0.23 0.64 0.04 5.20 5.85 -1.88 -0.97 115.31 124.42 1p51 h LEU 84 Ca 0.17 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1p51 h LEU 84 Cb 0.18 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1p51 h LEU 84 CO -0.20 0.46 -0.02 0.15 -0.34 0.00 0.00 178.44 178.48 1p51 h PHE 85 N 0.76 -0.06 -0.07 1.25 3.04 -1.01 -0.04 116.94 120.81 1p51 h PHE 85 Ca 0.21 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.11 1p51 h PHE 85 Cb -0.08 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1p51 h PHE 85 CO -0.04 -0.01 -0.18 0.00 -2.02 0.00 0.00 178.31 176.06 1p51 h ARG 86 N -0.09 0.10 0.00 1.11 3.08 -1.21 -1.91 114.38 115.48 1p51 h ARG 86 Ca -0.01 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1p51 h ARG 86 Cb 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1p51 h ARG 86 CO 0.01 0.29 -0.89 0.93 -1.07 0.00 0.00 179.97 179.24 1p51 h GLU 87 N 0.10 0.00 0.00 0.04 5.08 -0.92 0.19 114.58 119.08 1p51 h GLU 87 Ca 0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1p51 h GLU 87 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1p51 h GLU 87 CO 0.03 0.50 -0.85 0.87 -1.00 0.00 0.00 179.01 178.56 1p51 h LYS 88 N 0.00 0.06 0.16 2.33 1.79 -0.78 -1.64 116.57 118.50 1p51 h LYS 88 Ca -0.06 -0.07 -0.30 0.00 -2.18 0.00 0.00 60.65 58.04 1p51 h LYS 88 Cb 1.52 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 32.20 1p51 h LYS 88 CO 0.07 0.87 -1.39 0.28 -1.08 0.00 0.00 179.45 178.21 1p51 h VAL 89 N 0.03 1.35 -2.58 0.50 2.07 -1.36 -3.42 116.25 112.85 1p51 h VAL 89 Ca -0.02 -2.89 -0.56 0.00 0.82 0.00 0.00 66.70 64.04 1p51 h VAL 89 Cb 1.49 2.93 -0.39 0.00 -1.52 0.00 0.00 31.29 33.80 1p51 h VAL 89 CO 0.12 0.86 -0.83 0.00 0.02 0.00 0.00 177.57 177.73 1p51 s ALA 90 N -2.63 0.79 0.25 1.67 0.00 0.68 -5.09 121.76 117.43 1p51 s ALA 90 Ca -0.07 -1.69 -0.30 0.00 0.00 0.00 0.00 51.96 49.91 1p51 s ALA 90 Cb 0.06 -1.59 -0.10 0.00 0.00 0.00 0.00 23.12 21.49 1p51 s ALA 90 CO 0.89 -2.04 1.33 -2.14 0.00 0.00 0.00 175.76 173.80 1p51 s PRO 91 N 1.25 4.36 0.00 0.00 0.02 -0.62 -4.11 135.00 135.90 1p51 s PRO 91 Ca 0.17 2.15 0.15 0.00 0.02 0.00 0.00 61.00 63.49 1p51 s PRO 91 Cb -0.22 -3.14 0.92 0.00 0.02 0.00 0.00 34.50 32.08 1p51 s PRO 91 CO -0.05 -0.26 1.33 -2.30 -0.33 0.00 0.00 177.00 175.39