#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ma5 h PRO 61 N 0.00 0.00 -0.53 -0.67 0.13 -2.01 -2.88 132.00 126.04 3ma5 h PRO 61 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 3ma5 h PRO 61 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3ma5 h PRO 61 CO 0.00 0.13 -0.12 0.35 -0.23 0.00 0.00 178.00 178.12 3ma5 h PHE 62 N 0.00 1.15 -0.91 1.56 3.57 -2.03 -1.48 116.94 118.79 3ma5 h PHE 62 Ca -0.00 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3ma5 h PHE 62 Cb 0.64 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 3ma5 h PHE 62 CO 0.00 1.07 0.58 1.15 -2.23 0.00 0.00 178.31 178.88 3ma5 h THR 63 N 0.89 1.24 -0.11 4.41 2.02 -1.94 0.46 112.91 119.89 3ma5 h THR 63 Ca 0.13 -0.49 -0.15 0.00 0.77 0.00 0.00 66.41 66.67 3ma5 h THR 63 Cb 0.70 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3ma5 h THR 63 CO 0.05 0.25 -0.58 0.03 0.37 0.00 0.00 175.52 175.63 3ma5 h ARG 64 N 1.25 0.35 -0.42 6.66 3.08 -1.56 -1.18 114.38 122.56 3ma5 h ARG 64 Ca 0.33 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3ma5 h ARG 64 Cb -0.10 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3ma5 h ARG 64 CO -0.07 0.83 0.17 -0.92 -1.07 0.00 0.00 179.97 178.92 3ma5 h TYR 65 N 0.26 0.63 -0.48 3.04 3.20 -0.01 0.23 116.97 123.85 3ma5 h TYR 65 Ca -0.00 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 3ma5 h TYR 65 Cb 1.10 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 3ma5 h TYR 65 CO 0.03 0.54 0.11 0.00 -1.64 0.00 0.00 178.16 177.20 3ma5 h ALA 66 N 1.02 0.63 0.03 1.82 0.00 -0.04 -2.78 119.26 119.94 3ma5 h ALA 66 Ca 0.14 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3ma5 h ALA 66 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3ma5 h ALA 66 CO -0.01 0.33 -0.19 1.25 0.00 0.00 0.00 179.25 180.63 3ma5 h LEU 67 N 0.65 -0.54 -2.24 0.00 5.85 -0.89 -1.71 115.31 116.44 3ma5 h LEU 67 Ca 0.15 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.99 3ma5 h LEU 67 Cb 0.34 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3ma5 h LEU 67 CO 0.00 -0.25 0.20 0.00 -0.34 0.00 0.00 178.44 178.04 3ma5 h ALA 68 N 0.57 1.78 0.00 1.25 0.00 -0.43 -1.48 119.26 120.95 3ma5 h ALA 68 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ma5 h ALA 68 Cb 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ma5 h ALA 68 CO -0.15 -0.29 -0.97 1.96 0.00 0.00 0.00 179.25 179.80 3ma5 h GLN 69 N 0.00 0.00 0.01 0.00 4.20 -1.05 -3.29 115.11 114.98 3ma5 h GLN 69 Ca 0.08 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.56 3ma5 h GLN 69 Cb 0.47 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.26 3ma5 h GLN 69 CO -0.00 0.07 -0.98 0.93 -0.67 0.00 0.00 178.83 178.19 3ma5 h GLU 70 N 0.00 0.44 0.00 1.46 4.39 -0.66 -2.75 114.58 117.46 3ma5 h GLU 70 Ca -0.03 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3ma5 h GLU 70 Cb 1.13 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 3ma5 h GLU 70 CO 0.01 1.14 0.00 0.72 -1.16 0.00 0.00 179.01 179.72 3ma5 n HIS 71 N -3.75 0.00 -0.08 4.33 8.25 -0.93 -1.65 115.22 121.40 3ma5 n HIS 71 Ca -0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.30 3ma5 n HIS 71 Cb 0.85 -0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.84 3ma5 n HIS 71 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ma5 n LEU 72 N -1.02 0.68 0.00 2.41 4.77 -1.06 0.69 117.00 123.47 3ma5 n LEU 72 Ca 0.09 -0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.19 3ma5 n LEU 72 Cb 0.05 0.13 0.69 0.00 -2.33 0.00 0.00 43.42 41.96 3ma5 n LEU 72 CO 0.07 0.46 0.98 0.29 -1.33 0.00 0.00 177.39 177.86 3ma5 n LYS 73 N -2.65 0.34 0.00 3.23 5.02 -0.66 -2.28 118.16 121.16 3ma5 n LYS 73 Ca -0.26 0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.06 3ma5 n LYS 73 Cb 0.94 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 3ma5 n LYS 73 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3ma5 n HIS 74 N -1.32 0.00 -1.24 2.13 8.25 -0.96 -5.04 115.22 117.04 3ma5 n HIS 74 Ca 0.12 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.50 3ma5 n HIS 74 Cb 0.24 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.32 3ma5 n HIS 74 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3ma5 n ASP 75 N -0.34 -3.99 -3.75 0.41 2.03 -0.97 -4.92 116.55 105.02 3ma5 n ASP 75 Ca 0.01 0.20 -0.42 0.00 0.52 0.00 0.00 54.79 55.10 3ma5 n ASP 75 Cb 0.03 -2.21 -0.03 0.00 -0.72 0.00 0.00 41.12 38.19 3ma5 n ASP 75 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3ma5 n ASN 76 N 0.67 3.30 -0.31 1.67 4.13 0.22 -4.75 115.26 120.19 3ma5 n ASN 76 Ca -0.08 -2.77 0.05 0.00 1.68 0.00 0.00 54.58 53.46 3ma5 n ASN 76 Cb 0.27 -1.43 0.12 0.00 -1.54 0.00 0.00 39.78 37.20 3ma5 n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ma5 n ALA 77 N 7.11 0.21 0.45 5.41 0.00 -1.25 -1.17 120.51 131.26 3ma5 n ALA 77 Ca 0.51 0.95 0.12 0.00 0.00 0.00 0.00 53.44 55.01 3ma5 n ALA 77 Cb 0.40 -0.57 0.12 0.00 0.00 0.00 0.00 19.45 19.40 3ma5 n ALA 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ma5 h SER 78 N 0.00 0.00 -0.13 0.00 0.87 -1.90 -2.71 113.55 109.68 3ma5 h SER 78 Ca 0.41 -0.17 -0.15 0.00 -1.23 0.00 0.00 61.79 60.65 3ma5 h SER 78 Cb 0.63 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 3ma5 h SER 78 CO -0.89 0.09 -0.46 0.03 -0.53 0.00 0.00 176.83 175.07 3ma5 h ARG 79 N 0.00 0.69 0.11 2.24 2.47 -1.48 -0.50 114.38 117.91 3ma5 h ARG 79 Ca 0.00 -0.38 -0.00 0.00 -1.26 0.00 0.00 59.98 58.33 3ma5 h ARG 79 Cb 0.81 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.15 3ma5 h ARG 79 CO 0.00 1.00 -0.08 0.00 0.56 0.00 0.00 179.97 181.45 3ma5 h ALA 80 N 0.94 -0.93 -1.02 0.04 0.00 -1.43 -2.84 119.26 114.03 3ma5 h ALA 80 Ca 0.03 -0.04 0.41 0.00 0.00 0.00 0.00 54.91 55.32 3ma5 h ALA 80 Cb 1.01 0.21 -0.17 0.00 0.00 0.00 0.00 17.79 18.83 3ma5 h ALA 80 CO 0.09 -0.92 0.57 -0.11 0.00 0.00 0.00 179.25 178.88 3ma5 n LEU 81 N -2.66 0.32 -0.10 0.00 7.94 -1.02 -0.41 117.00 121.07 3ma5 n LEU 81 Ca -0.02 1.57 -0.10 0.00 -1.11 0.00 0.00 56.01 56.35 3ma5 n LEU 81 Cb 0.08 -0.77 -0.03 0.00 0.53 0.00 0.00 43.42 43.23 3ma5 n LEU 81 CO 0.05 -1.75 0.85 0.00 -1.11 0.00 0.00 177.39 175.43 3ma5 h ALA 82 N 1.88 0.40 -0.56 1.96 0.00 -0.90 -2.32 119.26 119.72 3ma5 h ALA 82 Ca 0.83 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.51 3ma5 h ALA 82 Cb 2.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 3ma5 h ALA 82 CO -0.70 0.05 0.08 -0.07 0.00 0.00 0.00 179.25 178.61 3ma5 h LEU 83 N 0.34 0.89 0.47 0.00 3.38 -0.50 -2.23 115.31 117.65 3ma5 h LEU 83 Ca 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3ma5 h LEU 83 Cb 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ma5 h LEU 83 CO -0.00 0.93 -0.24 -0.26 0.09 0.00 0.00 178.44 178.96 3ma5 h PHE 84 N 0.82 -0.62 -0.71 1.13 0.04 -1.29 0.21 116.94 116.52 3ma5 h PHE 84 Ca 0.17 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.99 3ma5 h PHE 84 Cb 0.42 0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.72 3ma5 h PHE 84 CO 0.03 -0.38 0.39 0.93 -0.60 0.00 0.00 178.31 178.68 3ma5 h GLU 85 N -0.65 0.68 0.00 1.51 5.08 -1.43 0.19 114.58 119.96 3ma5 h GLU 85 Ca -0.06 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3ma5 h GLU 85 Cb 0.51 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ma5 h GLU 85 CO 0.10 0.45 -0.16 1.49 -1.00 0.00 0.00 179.01 179.89 3ma5 h GLU 86 N 0.70 0.00 -0.15 2.33 4.81 -1.27 -1.92 114.58 119.08 3ma5 h GLU 86 Ca 0.32 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.51 3ma5 h GLU 86 Cb 0.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3ma5 h GLU 86 CO -0.20 0.16 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.08 3ma5 h LEU 87 N 0.00 0.34 0.46 1.64 3.38 0.23 -1.94 115.31 119.42 3ma5 h LEU 87 Ca -0.00 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3ma5 h LEU 87 Cb 0.65 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3ma5 h LEU 87 CO 0.02 0.69 -0.43 0.58 0.09 0.00 0.00 178.44 179.40 3ma5 h VAL 88 N -0.01 0.14 -0.06 1.22 2.07 -0.51 0.68 116.25 119.78 3ma5 h VAL 88 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3ma5 h VAL 88 Cb 0.57 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 3ma5 h VAL 88 CO 0.03 0.00 -0.31 1.05 0.02 0.00 0.00 177.57 178.36 3ma5 h GLU 89 N -0.89 -0.40 -0.16 1.57 4.11 -1.39 -1.44 114.58 115.97 3ma5 h GLU 89 Ca -0.05 0.03 -0.19 0.00 0.07 0.00 0.00 59.36 59.23 3ma5 h GLU 89 Cb 0.78 0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.13 3ma5 h GLU 89 CO -0.05 -0.27 -0.62 1.79 0.07 0.00 0.00 179.01 179.93 3ma5 h THR 90 N -0.42 1.31 -2.70 -1.06 1.35 -1.31 -3.40 112.91 106.68 3ma5 h THR 90 Ca 0.08 -1.85 -0.60 0.00 -0.55 0.00 0.00 66.41 63.48 3ma5 h THR 90 Cb 0.54 1.98 -0.40 0.00 -1.73 0.00 0.00 68.15 68.54 3ma5 h THR 90 CO -0.30 0.58 -0.81 -1.81 -0.25 0.00 0.00 175.52 172.93 3ma5 s ASP 91 N -6.91 2.89 0.34 5.36 1.01 0.24 -4.96 116.67 114.64 3ma5 s ASP 91 Ca -0.11 -3.08 0.11 0.00 0.71 0.00 0.00 52.55 50.18 3ma5 s ASP 91 Cb 0.08 -0.86 0.60 0.00 1.01 0.00 0.00 42.92 43.75 3ma5 s ASP 91 CO 0.87 -0.18 1.76 -0.65 0.21 0.00 0.00 175.17 177.18 3ma5 h PRO 92 N 5.95 0.03 -0.32 8.23 0.11 -1.36 -3.08 132.00 141.56 3ma5 h PRO 92 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3ma5 h PRO 92 Cb 0.88 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3ma5 h PRO 92 CO 0.47 0.46 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 3ma5 n ASP 93 N -4.02 1.77 -4.53 -2.05 5.75 -1.26 -4.67 116.55 107.53 3ma5 n ASP 93 Ca -0.02 -1.98 -0.43 0.00 -0.01 0.00 0.00 54.79 52.35 3ma5 n ASP 93 Cb 0.47 -0.22 -0.05 0.00 -1.03 0.00 0.00 41.12 40.29 3ma5 n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3ma5 s TYR 94 N -1.57 2.95 0.07 2.11 5.04 -1.16 -4.93 117.35 119.86 3ma5 s TYR 94 Ca 0.23 0.05 -0.26 0.00 -2.44 0.00 0.00 57.07 54.64 3ma5 s TYR 94 Cb 0.12 -3.74 -0.17 0.00 0.35 0.00 0.00 41.96 38.52 3ma5 s TYR 94 CO 0.16 -1.07 1.63 0.28 -1.34 0.00 0.00 175.55 175.20 3ma5 h VAL 95 N 5.98 0.80 -0.89 3.14 2.07 -1.90 -3.29 116.25 122.17 3ma5 h VAL 95 Ca -0.25 -0.13 0.34 0.00 0.82 0.00 0.00 66.70 67.47 3ma5 h VAL 95 Cb 1.08 0.88 -0.12 0.00 -1.52 0.00 0.00 31.29 31.61 3ma5 h VAL 95 CO 0.99 0.03 0.53 0.61 0.02 0.00 0.00 177.57 179.74 3ma5 n GLY 96 N -1.04 -0.60 0.23 2.17 0.00 -1.26 -2.20 105.19 102.49 3ma5 n GLY 96 Ca -0.09 0.60 -0.04 0.00 0.00 0.00 0.00 46.02 46.48 3ma5 n GLY 96 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ma5 h THR 97 N 0.00 0.44 0.18 2.61 2.02 -1.96 -3.33 112.91 112.86 3ma5 h THR 97 Ca 0.66 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.83 3ma5 h THR 97 Cb 1.91 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3ma5 h THR 97 CO -0.48 0.00 -0.09 1.88 0.37 0.00 0.00 175.52 177.20 3ma5 h TYR 98 N -0.07 -0.22 -0.24 3.16 -1.99 -1.69 0.87 116.97 116.78 3ma5 h TYR 98 Ca 0.22 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 61.00 3ma5 h TYR 98 Cb 0.41 0.07 -0.06 0.00 2.00 0.00 0.00 36.73 39.15 3ma5 h TYR 98 CO -0.44 -0.10 -0.18 -0.92 -0.00 0.00 0.00 178.16 176.52 3ma5 h TYR 99 N -0.29 -0.46 -0.28 4.88 5.03 -1.78 0.12 116.97 124.20 3ma5 h TYR 99 Ca -0.02 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 3ma5 h TYR 99 Cb 0.22 0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 3ma5 h TYR 99 CO -0.05 -0.25 0.11 0.45 -1.32 0.00 0.00 178.16 177.09 3ma5 h HIS 100 N -0.17 0.43 -0.78 -3.82 3.86 -1.68 -2.06 115.15 110.93 3ma5 h HIS 100 Ca 0.14 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3ma5 h HIS 100 Cb 0.38 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.68 3ma5 h HIS 100 CO -0.35 0.43 0.51 1.25 0.86 0.00 0.00 177.93 180.64 3ma5 h LEU 101 N 0.30 0.90 -0.41 2.43 5.85 -0.55 -2.62 115.31 121.21 3ma5 h LEU 101 Ca 0.09 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3ma5 h LEU 101 Cb 0.19 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3ma5 h LEU 101 CO -0.01 0.66 -0.05 1.23 -0.34 0.00 0.00 178.44 179.93 3ma5 h GLY 102 N 1.06 0.82 1.59 3.75 0.00 -0.76 -1.73 103.07 107.81 3ma5 h GLY 102 Ca 0.29 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.98 3ma5 h GLY 102 CO -0.06 0.59 0.25 0.50 0.00 0.00 0.00 176.54 177.82 3ma5 h LYS 103 N 0.59 0.47 0.76 4.80 1.79 -1.03 -1.60 116.57 122.34 3ma5 h LYS 103 Ca 0.11 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 3ma5 h LYS 103 Cb 0.56 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.11 3ma5 h LYS 103 CO 0.03 0.31 -0.36 1.25 -1.08 0.00 0.00 179.45 179.60 3ma5 h LEU 104 N 0.48 -0.86 -1.10 2.94 5.85 -1.25 0.71 115.31 122.08 3ma5 h LEU 104 Ca 0.14 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3ma5 h LEU 104 Cb -0.00 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3ma5 h LEU 104 CO -0.03 -0.49 0.68 1.88 -0.34 0.00 0.00 178.44 180.14 3ma5 h TYR 105 N -1.26 0.00 0.07 1.25 0.05 -0.72 0.63 116.97 116.98 3ma5 h TYR 105 Ca -0.10 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.32 3ma5 h TYR 105 Cb 0.78 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.49 3ma5 h TYR 105 CO 0.00 0.00 -2.04 0.39 -1.05 0.00 0.00 178.16 175.46 3ma5 n GLU 106 N -2.81 0.69 0.32 4.88 1.02 -0.66 0.82 120.64 124.90 3ma5 n GLU 106 Ca 0.01 0.28 0.19 0.00 -0.02 0.00 0.00 57.16 57.63 3ma5 n GLU 106 Cb 0.74 -1.65 1.08 0.00 -0.02 0.00 0.00 31.44 31.58 3ma5 n GLU 106 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3ma5 h ARG 107 N -0.19 0.00 -0.65 3.49 2.43 0.24 -1.88 114.38 117.82 3ma5 h ARG 107 Ca -0.47 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.25 3ma5 h ARG 107 Cb 1.86 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 31.11 3ma5 h ARG 107 CO -0.04 0.01 -0.33 1.28 -1.51 0.00 0.00 179.97 179.38 3ma5 n LEU 108 N -3.38 5.08 -1.68 3.80 4.77 0.15 -4.99 117.00 120.75 3ma5 n LEU 108 Ca -0.03 -4.39 -0.01 0.00 -0.03 0.00 0.00 56.01 51.54 3ma5 n LEU 108 Cb 0.09 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3ma5 n LEU 108 CO 0.23 1.76 -0.02 0.47 -1.33 0.00 0.00 177.39 178.51 3ma5 n ASP 109 N -0.87 -0.79 -3.00 -1.43 9.92 -0.71 -4.78 116.55 114.89 3ma5 n ASP 109 Ca 0.43 0.22 -0.39 0.00 -0.53 0.00 0.00 54.79 54.53 3ma5 n ASP 109 Cb 0.91 -1.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.42 3ma5 n ASP 109 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3ma5 n ARG 110 N -1.73 3.28 -0.37 -1.24 1.74 0.24 -4.83 116.66 113.76 3ma5 n ARG 110 Ca -0.02 -3.84 0.02 0.00 -0.77 0.00 0.00 57.85 53.25 3ma5 n ARG 110 Cb 0.25 -2.30 0.17 0.00 -1.02 0.00 0.00 32.46 29.56 3ma5 n ARG 110 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3ma5 h THR 111 N 2.11 1.09 -0.43 0.55 2.02 -1.83 -0.41 112.91 116.02 3ma5 h THR 111 Ca 0.53 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 3ma5 h THR 111 Cb 0.17 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 3ma5 h THR 111 CO 1.33 0.21 -0.04 0.44 0.37 0.00 0.00 175.52 177.83 3ma5 h ASP 112 N 1.17 0.69 0.61 4.18 5.19 -1.90 -1.96 116.42 124.41 3ma5 h ASP 112 Ca 0.43 -0.17 -0.10 0.00 -0.62 0.00 0.00 57.03 56.56 3ma5 h ASP 112 Cb 0.16 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 3ma5 h ASP 112 CO -0.17 0.79 -0.49 0.44 -3.12 0.00 0.00 179.24 176.69 3ma5 h ASP 113 N 0.67 0.00 -0.19 6.45 5.19 -1.68 -2.80 116.42 124.05 3ma5 h ASP 113 Ca 0.13 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 3ma5 h ASP 113 Cb 0.47 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 3ma5 h ASP 113 CO 0.02 0.49 0.04 0.00 -3.12 0.00 0.00 179.24 176.67 3ma5 h ALA 114 N 1.51 0.25 -0.75 3.45 0.00 -0.36 -2.99 119.26 120.38 3ma5 h ALA 114 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3ma5 h ALA 114 Cb 0.93 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3ma5 h ALA 114 CO 0.06 -0.09 0.32 0.82 0.00 0.00 0.00 179.25 180.36 3ma5 h ILE 115 N 0.11 1.25 0.00 0.00 2.04 -1.37 -0.73 117.51 118.82 3ma5 h ILE 115 Ca 0.06 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.15 3ma5 h ILE 115 Cb 0.30 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3ma5 h ILE 115 CO 0.00 0.31 0.00 0.47 0.00 0.00 0.00 178.15 178.94 3ma5 n ASP 116 N -4.34 0.60 -0.07 1.72 8.00 -1.07 -1.79 116.55 119.60 3ma5 n ASP 116 Ca 0.06 0.70 -0.20 0.00 0.71 0.00 0.00 54.79 56.06 3ma5 n ASP 116 Cb 0.17 -0.81 -0.12 0.00 -0.02 0.00 0.00 41.12 40.33 3ma5 n ASP 116 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3ma5 h THR 117 N 0.00 1.07 -0.91 -3.53 2.02 -1.01 -3.15 112.91 107.41 3ma5 h THR 117 Ca 0.00 -2.26 0.07 0.00 0.77 0.00 0.00 66.41 64.99 3ma5 h THR 117 Cb 0.19 2.54 -0.06 0.00 -1.74 0.00 0.00 68.15 69.08 3ma5 h THR 117 CO 0.00 0.48 0.59 1.88 0.37 0.00 0.00 175.52 178.84 3ma5 h TYR 118 N -0.79 1.05 0.19 3.16 0.05 -1.05 -0.13 116.97 119.45 3ma5 h TYR 118 Ca -0.28 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.52 3ma5 h TYR 118 Cb 1.39 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 38.79 3ma5 h TYR 118 CO 0.13 0.54 -0.11 0.00 -1.05 0.00 0.00 178.16 177.67 3ma5 h ALA 119 N 1.51 -0.28 -0.14 3.88 0.00 -1.47 -0.50 119.26 122.26 3ma5 h ALA 119 Ca 0.40 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 3ma5 h ALA 119 Cb 0.23 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ma5 h ALA 119 CO -0.15 -0.66 -0.05 1.96 0.00 0.00 0.00 179.25 180.35 3ma5 h GLN 120 N -0.29 0.21 -0.36 0.00 1.08 -1.36 -1.69 115.11 112.70 3ma5 h GLN 120 Ca -0.02 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3ma5 h GLN 120 Cb 0.23 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 3ma5 h GLN 120 CO 0.03 0.28 0.17 0.78 -0.95 0.00 0.00 178.83 179.14 3ma5 h GLY 121 N 0.54 0.55 1.64 3.46 0.00 -0.31 -1.80 103.07 107.16 3ma5 h GLY 121 Ca 0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3ma5 h GLY 121 CO 0.01 0.26 0.04 -2.22 0.00 0.00 0.00 176.54 174.63 3ma5 h ILE 122 N 0.44 1.17 0.00 2.60 2.04 -0.22 0.52 117.51 124.07 3ma5 h ILE 122 Ca 0.12 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3ma5 h ILE 122 Cb 0.11 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3ma5 h ILE 122 CO -0.02 0.22 -0.00 -0.33 0.00 0.00 0.00 178.15 178.02 3ma5 h GLU 123 N 0.45 -0.00 -0.02 2.37 3.07 -0.95 -1.25 114.58 118.24 3ma5 h GLU 123 Ca 0.10 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.81 3ma5 h GLU 123 Cb 0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 3ma5 h GLU 123 CO 0.00 0.27 -0.69 -0.39 -1.40 0.00 0.00 179.01 176.80 3ma5 h VAL 124 N -0.27 1.46 -0.59 3.13 -1.51 -0.89 -3.00 116.25 114.58 3ma5 h VAL 124 Ca -0.00 -2.26 -0.03 0.00 -1.23 0.00 0.00 66.70 63.18 3ma5 h VAL 124 Cb 0.27 2.21 -0.03 0.00 -2.13 0.00 0.00 31.29 31.61 3ma5 h VAL 124 CO 0.00 0.65 0.24 0.00 -1.23 0.00 0.00 177.57 177.23 3ma5 h ALA 125 N 1.23 0.76 -0.87 5.19 0.00 0.11 1.31 119.26 126.99 3ma5 h ALA 125 Ca -0.01 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.91 3ma5 h ALA 125 Cb 1.22 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3ma5 h ALA 125 CO 0.10 0.37 0.57 -0.09 0.00 0.00 0.00 179.25 180.20 3ma5 h ARG 126 N 0.81 0.46 0.00 0.00 2.43 -1.08 0.60 114.38 117.59 3ma5 h ARG 126 Ca 0.20 -0.03 -0.37 0.00 -0.81 0.00 0.00 59.98 58.97 3ma5 h ARG 126 Cb 0.20 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.58 3ma5 h ARG 126 CO -0.02 0.30 -2.35 0.39 -1.51 0.00 0.00 179.97 176.78 3ma5 n GLU 127 N -4.52 0.68 -0.05 0.20 -0.58 -0.84 -4.81 120.64 110.71 3ma5 n GLU 127 Ca 0.18 0.04 -0.08 0.00 -0.42 0.00 0.00 57.16 56.89 3ma5 n GLU 127 Cb 0.61 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 29.89 3ma5 n GLU 127 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3ma5 n GLU 128 N -2.87 0.27 0.00 3.49 -0.58 0.45 -5.09 120.64 116.30 3ma5 n GLU 128 Ca -0.34 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 3ma5 n GLU 128 Cb 1.12 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.78 3ma5 n GLU 128 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ma5 n GLY 129 N 2.97 -1.03 3.89 0.62 0.00 0.18 -4.96 105.19 106.86 3ma5 n GLY 129 Ca -0.19 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 43.96 3ma5 n GLY 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ma5 s THR 130 N -0.28 1.80 0.19 2.61 -4.23 -1.26 -4.88 115.64 109.59 3ma5 s THR 130 Ca 0.00 -1.48 -0.08 0.00 -1.18 0.00 0.00 61.69 58.95 3ma5 s THR 130 Cb 0.00 -2.27 0.08 0.00 1.34 0.00 0.00 72.50 71.64 3ma5 s THR 130 CO 0.00 0.00 1.66 -0.61 -0.54 0.00 0.00 174.62 175.13 3ma5 h GLN 131 N 0.80 1.05 -0.89 3.99 5.75 -1.99 -2.65 115.11 121.16 3ma5 h GLN 131 Ca -0.37 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 57.80 3ma5 h GLN 131 Cb 1.30 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.70 3ma5 h GLN 131 CO 0.58 1.02 0.52 1.57 -2.65 0.00 0.00 178.83 179.87 3ma5 h LYS 132 N 0.96 1.22 0.38 1.69 2.10 -1.98 0.38 116.57 121.33 3ma5 h LYS 132 Ca 0.17 -0.12 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 3ma5 h LYS 132 Cb 0.54 -0.25 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3ma5 h LYS 132 CO 0.03 0.87 -0.22 -0.44 -2.00 0.00 0.00 179.45 177.69 3ma5 h ASP 133 N 1.24 -0.54 -0.07 7.07 3.45 -1.91 -0.47 116.42 125.19 3ma5 h ASP 133 Ca 0.32 0.03 0.04 0.00 0.43 0.00 0.00 57.03 57.85 3ma5 h ASP 133 Cb -0.03 0.15 -0.06 0.00 -0.56 0.00 0.00 39.33 38.84 3ma5 h ASP 133 CO -0.06 -0.35 -0.33 0.25 -1.57 0.00 0.00 179.24 177.17 3ma5 h LEU 134 N -0.57 -1.02 -0.86 1.55 5.85 -1.05 0.30 115.31 119.51 3ma5 h LEU 134 Ca -0.05 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3ma5 h LEU 134 Cb 0.46 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 3ma5 h LEU 134 CO 0.06 -0.38 0.55 0.28 -0.34 0.00 0.00 178.44 178.61 3ma5 h SER 135 N -0.44 0.92 0.71 1.25 0.02 -0.16 -0.80 113.55 115.05 3ma5 h SER 135 Ca 0.08 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3ma5 h SER 135 Cb 0.57 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.91 3ma5 h SER 135 CO -0.32 0.63 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.33 3ma5 h GLU 136 N 1.08 -0.92 -0.43 3.45 5.08 -0.64 -2.50 114.58 119.69 3ma5 h GLU 136 Ca 0.34 0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.89 3ma5 h GLU 136 Cb 0.00 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3ma5 h GLU 136 CO -0.11 -0.62 0.61 -0.07 -1.00 0.00 0.00 179.01 177.82 3ma5 h LEU 137 N -1.05 0.00 0.00 1.33 3.38 -0.79 0.20 115.31 118.37 3ma5 h LEU 137 Ca -0.10 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 3ma5 h LEU 137 Cb 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3ma5 h LEU 137 CO 0.16 0.00 -1.06 1.56 0.09 0.00 0.00 178.44 179.19 3ma5 h GLN 138 N 0.00 0.00 0.16 1.13 4.20 -0.88 -2.21 115.11 117.52 3ma5 h GLN 138 Ca 0.20 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.65 3ma5 h GLN 138 Cb 1.42 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.23 3ma5 h GLN 138 CO -0.00 0.60 -1.15 -0.44 -0.67 0.00 0.00 178.83 177.17 3ma5 h ASP 139 N 0.00 0.73 -0.80 1.46 3.45 -0.24 -2.13 116.42 118.89 3ma5 h ASP 139 Ca -0.09 -0.88 0.08 0.00 0.43 0.00 0.00 57.03 56.57 3ma5 h ASP 139 Cb 1.65 -0.23 -0.07 0.00 -0.56 0.00 0.00 39.33 40.12 3ma5 h ASP 139 CO 0.08 1.55 0.46 0.00 -1.57 0.00 0.00 179.24 179.76 3ma5 h ALA 140 N 0.19 1.11 -0.22 3.45 0.00 -1.21 0.10 119.26 122.68 3ma5 h ALA 140 Ca -0.19 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 3ma5 h ALA 140 Cb 1.87 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3ma5 h ALA 140 CO 0.22 0.12 -0.61 -0.22 0.00 0.00 0.00 179.25 178.75 3ma5 h LYS 141 N 0.80 0.75 0.58 0.00 3.64 -1.40 -0.88 116.57 120.07 3ma5 h LYS 141 Ca 0.37 -0.52 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3ma5 h LYS 141 Cb 0.29 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3ma5 h LYS 141 CO -0.22 1.14 -0.28 1.25 -2.27 0.00 0.00 179.45 179.07 3ma5 h LEU 142 N 0.56 -0.66 -0.64 5.20 5.85 -0.68 -1.67 115.31 123.26 3ma5 h LEU 142 Ca -0.01 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.74 3ma5 h LEU 142 Cb 1.21 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 3ma5 h LEU 142 CO 0.13 -0.36 0.35 0.11 -0.34 0.00 0.00 178.44 178.32 3ma5 h LYS 143 N -0.96 0.63 0.00 1.25 1.57 -0.89 0.29 116.57 118.47 3ma5 h LYS 143 Ca -0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3ma5 h LYS 143 Cb 0.65 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3ma5 h LYS 143 CO 0.13 0.42 -0.02 0.00 -0.57 0.00 0.00 179.45 179.41 3ma5 h ALA 144 N 1.33 1.28 0.09 3.86 0.00 -1.07 -0.96 119.26 123.79 3ma5 h ALA 144 Ca 0.29 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.81 3ma5 h ALA 144 Cb 0.18 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ma5 h ALA 144 CO -0.18 0.03 -2.06 0.39 0.00 0.00 0.00 179.25 177.43 3ma5 n GLU 145 N -3.52 0.73 0.00 0.00 1.02 -0.38 -4.01 120.64 114.49 3ma5 n GLU 145 Ca -0.03 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3ma5 n GLU 145 Cb 0.12 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 3ma5 n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ma5 n GLY 146 N 2.00 1.73 0.00 0.62 0.00 0.90 -4.26 105.19 106.17 3ma5 n GLY 146 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3ma5 n GLY 146 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ma5 n LEU 147 N -0.27 0.00 0.00 0.99 0.00 -0.41 -5.05 117.00 112.25 3ma5 n LEU 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3ma5 n LEU 147 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3ma5 n LEU 147 CO 0.00 0.00 0.12 -1.84 0.00 0.00 0.00 177.39 175.67