#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a68 s ARG 67 N 0.00 3.56 -0.00 5.31 3.52 -1.26 -0.99 118.95 129.09 1a68 s ARG 67 Ca 0.00 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 55.01 1a68 s ARG 67 Cb 0.00 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 1a68 s ARG 67 CO 0.00 0.21 0.10 0.08 -0.81 0.00 0.00 175.30 174.88 1a68 s VAL 68 N 0.40 4.85 -0.19 7.11 1.01 0.12 -4.90 120.40 128.81 1a68 s VAL 68 Ca -0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1a68 s VAL 68 Cb -0.15 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 1a68 s VAL 68 CO 0.04 0.34 -0.10 -0.69 0.00 0.00 0.00 175.10 174.68 1a68 s VAL 69 N -1.23 2.99 -0.22 2.92 1.01 -1.26 -1.59 120.40 123.02 1a68 s VAL 69 Ca 0.24 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1a68 s VAL 69 Cb -0.12 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1a68 s VAL 69 CO 0.15 0.47 -0.04 -0.63 0.00 0.00 0.00 175.10 175.05 1a68 s ILE 70 N 1.17 3.39 -0.45 2.22 -1.09 0.56 -1.62 121.20 125.38 1a68 s ILE 70 Ca 0.02 -0.49 -0.12 0.00 -2.23 0.00 0.00 60.65 57.83 1a68 s ILE 70 Cb -0.14 -2.54 0.08 0.00 -1.58 0.00 0.00 42.46 38.27 1a68 s ILE 70 CO -0.03 0.42 0.33 0.21 -1.23 0.00 0.00 174.94 174.64 1a68 s ASN 71 N 1.48 5.89 -0.55 3.58 3.84 0.12 -0.29 114.94 129.01 1a68 s ASN 71 Ca 0.06 -1.45 -0.15 0.00 0.21 0.00 0.00 52.86 51.52 1a68 s ASN 71 Cb -0.14 -2.09 0.13 0.00 -0.55 0.00 0.00 41.25 38.61 1a68 s ASN 71 CO -0.03 -0.61 0.49 -0.69 -2.79 0.00 0.00 177.10 173.47 1a68 s VAL 72 N 1.53 5.08 -1.61 -5.21 1.01 -0.29 -1.15 120.40 119.76 1a68 s VAL 72 Ca 0.04 -1.61 -0.16 0.00 0.00 0.00 0.00 61.98 60.25 1a68 s VAL 72 Cb -0.24 -4.26 0.12 0.00 0.00 0.00 0.00 36.38 32.00 1a68 s VAL 72 CO 0.04 -0.87 0.89 -1.20 0.00 0.00 0.00 175.10 173.96 1a68 n SER 73 N 5.12 -4.05 0.00 3.32 7.64 -0.03 -1.43 113.62 124.19 1a68 n SER 73 Ca -0.11 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1a68 n SER 73 Cb 0.40 -3.38 0.00 0.00 -1.01 0.00 0.00 64.21 60.23 1a68 n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a68 n GLY 74 N -1.57 3.14 3.54 0.23 0.00 -1.26 -5.04 105.19 104.24 1a68 n GLY 74 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1a68 n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a68 s LEU 75 N 0.00 4.40 -0.01 0.99 2.96 -0.51 -5.04 118.68 121.47 1a68 s LEU 75 Ca 0.00 -0.13 -0.25 0.00 -0.22 0.00 0.00 54.13 53.54 1a68 s LEU 75 Cb 0.00 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1a68 s LEU 75 CO 0.00 -0.65 0.75 -0.13 -1.32 0.00 0.00 176.35 175.00 1a68 s ARG 76 N 2.67 4.47 -0.02 1.98 3.00 -1.26 -1.13 118.95 128.65 1a68 s ARG 76 Ca 0.22 1.01 0.07 0.00 0.00 0.00 0.00 55.73 57.03 1a68 s ARG 76 Cb -0.15 -3.41 -0.02 0.00 0.00 0.00 0.00 34.95 31.38 1a68 s ARG 76 CO 0.16 0.16 -0.24 -0.06 0.00 0.00 0.00 175.30 175.33 1a68 s PHE 77 N 0.40 2.17 -0.07 -0.53 0.40 0.60 -4.98 117.98 115.98 1a68 s PHE 77 Ca 0.39 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1a68 s PHE 77 Cb -0.19 -1.40 0.01 0.00 0.51 0.00 0.00 43.02 41.94 1a68 s PHE 77 CO 0.21 -0.06 -0.16 -1.21 0.70 0.00 0.00 175.22 174.70 1a68 s GLU 78 N -0.49 2.02 0.36 0.44 2.02 -1.26 -0.32 118.70 121.46 1a68 s GLU 78 Ca 0.07 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 54.50 1a68 s GLU 78 Cb -0.10 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.50 1a68 s GLU 78 CO -0.00 0.11 0.47 -0.08 0.02 0.00 0.00 175.26 175.78 1a68 s THR 79 N 0.46 0.00 -0.02 3.63 -1.32 -0.62 -4.98 115.64 112.78 1a68 s THR 79 Ca -0.13 -1.64 -0.07 0.00 -1.21 0.00 0.00 61.69 58.64 1a68 s THR 79 Cb -0.15 -2.67 -0.05 0.00 -1.51 0.00 0.00 72.50 68.12 1a68 s THR 79 CO 0.05 0.00 0.25 -1.10 -2.21 0.00 0.00 174.62 171.60 1a68 s GLN 80 N -2.95 3.57 0.39 7.08 -0.21 -1.26 0.16 119.66 126.44 1a68 s GLN 80 Ca 0.32 -0.05 0.12 0.00 0.02 0.00 0.00 55.36 55.77 1a68 s GLN 80 Cb -0.00 -3.12 0.94 0.00 1.00 0.00 0.00 33.01 31.83 1a68 s GLN 80 CO 0.22 0.69 1.90 1.25 -2.12 0.00 0.00 175.29 177.23 1a68 h LEU 81 N 4.28 0.52 -1.59 2.90 5.85 -1.41 0.98 115.31 126.84 1a68 h LEU 81 Ca -0.51 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 1a68 h LEU 81 Cb 1.21 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1a68 h LEU 81 CO 0.64 0.26 -0.04 0.11 -0.34 0.00 0.00 178.44 179.07 1a68 h LYS 82 N 0.55 0.21 -0.32 1.25 1.79 -1.94 -1.21 116.57 116.90 1a68 h LYS 82 Ca 0.41 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.73 1a68 h LYS 82 Cb 0.79 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1a68 h LYS 82 CO -0.16 0.27 -0.28 1.15 -1.08 0.00 0.00 179.45 179.35 1a68 h THR 83 N 0.21 1.28 0.09 -0.16 2.02 -1.19 -3.22 112.91 111.94 1a68 h THR 83 Ca 0.05 -1.38 -0.17 0.00 0.77 0.00 0.00 66.41 65.67 1a68 h THR 83 Cb 0.22 1.33 0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1a68 h THR 83 CO 0.01 0.45 -0.73 -0.07 0.37 0.00 0.00 175.52 175.55 1a68 h LEU 84 N 0.57 0.48 0.00 2.58 3.38 -1.32 -3.30 115.31 117.70 1a68 h LEU 84 Ca 0.07 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1a68 h LEU 84 Cb 0.77 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1a68 h LEU 84 CO 0.06 1.33 0.00 0.59 0.09 0.00 0.00 178.44 180.51 1a68 n ASN 85 N -4.16 0.00 -0.05 -0.43 3.02 -0.50 -2.44 115.26 110.69 1a68 n ASN 85 Ca -0.13 0.42 0.01 0.00 -0.03 0.00 0.00 54.58 54.86 1a68 n ASN 85 Cb 0.77 -0.43 0.33 0.00 -0.61 0.00 0.00 39.78 39.84 1a68 n ASN 85 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1a68 h GLN 86 N 0.00 0.65 -3.05 3.52 4.20 -1.63 -3.27 115.11 115.54 1a68 h GLN 86 Ca 0.00 -0.08 -0.63 0.00 0.06 0.00 0.00 58.65 58.01 1a68 h GLN 86 Cb 0.02 -0.13 -0.41 0.00 0.30 0.00 0.00 27.48 27.26 1a68 h GLN 86 CO 0.00 0.51 -0.53 1.19 -0.67 0.00 0.00 178.83 179.34 1a68 n PHE 87 N -4.39 3.38 0.40 2.96 3.72 -1.02 -4.93 117.46 117.59 1a68 n PHE 87 Ca 0.04 -4.29 0.05 0.00 -0.05 0.00 0.00 57.45 53.20 1a68 n PHE 87 Cb 0.13 -0.67 0.23 0.00 -0.94 0.00 0.00 39.48 38.23 1a68 n PHE 87 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1a68 n PRO 88 N 1.91 0.06 -0.06 -1.08 -0.04 -1.23 -2.40 135.00 132.16 1a68 n PRO 88 Ca 0.21 0.27 0.11 0.00 -0.04 0.00 0.00 63.50 64.05 1a68 n PRO 88 Cb 0.36 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.74 1a68 n PRO 88 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1a68 n ASP 89 N -1.41 1.46 -4.81 3.54 5.75 -1.26 -3.90 116.55 115.91 1a68 n ASP 89 Ca 0.03 -1.63 -0.23 0.00 -0.01 0.00 0.00 54.79 52.95 1a68 n ASP 89 Cb 0.10 -0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 40.07 1a68 n ASP 89 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1a68 s THR 90 N -1.85 2.43 0.08 2.12 -4.23 -1.01 -4.94 115.64 108.25 1a68 s THR 90 Ca 0.33 -1.52 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 1a68 s THR 90 Cb 0.18 -2.95 -0.16 0.00 1.34 0.00 0.00 72.50 70.91 1a68 s THR 90 CO 0.27 0.00 1.65 0.25 -0.54 0.00 0.00 174.62 176.25 1a68 h LEU 91 N 1.20 -0.64 -1.42 4.79 5.85 -1.62 -1.77 115.31 121.70 1a68 h LEU 91 Ca -0.42 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1a68 h LEU 91 Cb 1.26 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.48 1a68 h LEU 91 CO 0.63 -0.42 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.23 1a68 h LEU 92 N -0.67 0.00 -0.52 2.25 3.38 -1.90 -2.73 115.31 115.12 1a68 h LEU 92 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1a68 h LEU 92 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1a68 h LEU 92 CO 0.06 0.02 -0.41 0.61 0.09 0.00 0.00 178.44 178.81 1a68 n GLY 93 N 0.05 -0.56 3.21 0.83 0.00 -1.14 -4.70 105.19 102.88 1a68 n GLY 93 Ca 0.01 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1a68 n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a68 s ASN 94 N -2.60 5.21 0.29 1.61 3.84 -0.68 -4.20 114.94 118.41 1a68 s ASN 94 Ca 0.20 -1.43 0.02 0.00 0.21 0.00 0.00 52.86 51.86 1a68 s ASN 94 Cb 0.18 -1.83 0.71 0.00 -0.55 0.00 0.00 41.25 39.77 1a68 s ASN 94 CO 0.59 -0.38 1.65 -0.65 -2.79 0.00 0.00 177.10 175.51 1a68 h PRO 95 N 8.14 0.20 -0.93 0.43 0.11 -1.86 -0.07 132.00 138.02 1a68 h PRO 95 Ca -0.20 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 1a68 h PRO 95 Cb 1.07 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1a68 h PRO 95 CO 0.62 0.13 0.55 0.37 -0.21 0.00 0.00 178.00 179.47 1a68 h GLN 96 N 0.21 1.27 0.05 1.05 4.15 -1.94 -1.29 115.11 118.60 1a68 h GLN 96 Ca 0.55 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.85 1a68 h GLN 96 Cb 1.11 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1a68 h GLN 96 CO -0.65 0.89 -0.02 0.87 -1.93 0.00 0.00 178.83 177.99 1a68 h LYS 97 N 1.28 -0.07 -0.55 1.69 1.57 -1.34 -3.35 116.57 115.81 1a68 h LYS 97 Ca 0.33 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1a68 h LYS 97 Cb -0.04 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1a68 h LYS 97 CO -0.06 0.54 0.36 0.07 -0.57 0.00 0.00 179.45 179.79 1a68 h ARG 98 N -0.90 0.70 0.00 3.15 0.11 -1.05 -2.89 114.38 113.49 1a68 h ARG 98 Ca -0.01 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 1a68 h ARG 98 Cb 0.63 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.56 1a68 h ARG 98 CO 0.01 0.47 -0.01 -0.91 0.10 0.00 0.00 179.97 179.63 1a68 h ASN 99 N 0.72 0.00 0.57 0.08 2.35 -1.36 -0.98 115.58 116.97 1a68 h ASN 99 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1a68 h ASN 99 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1a68 h ASN 99 CO -0.05 0.01 0.00 -2.11 -1.65 0.00 0.00 177.43 173.63 1a68 n ARG 100 N -3.39 0.09 -0.07 0.81 1.85 -1.09 -2.18 116.66 112.68 1a68 n ARG 100 Ca -0.03 0.14 0.07 0.00 -1.00 0.00 0.00 57.85 57.04 1a68 n ARG 100 Cb 0.09 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.10 1a68 n ARG 100 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1a68 n TYR 101 N -1.43 0.18 -2.54 2.89 4.01 -0.37 -4.98 117.16 114.92 1a68 n TYR 101 Ca 0.06 -0.15 -0.41 0.00 -0.16 0.00 0.00 57.90 57.24 1a68 n TYR 101 Cb 0.20 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 1a68 n TYR 101 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1a68 s TYR 102 N -1.14 3.59 -0.37 -0.72 5.04 -0.92 -1.22 117.35 121.61 1a68 s TYR 102 Ca 0.21 1.57 -0.05 0.00 -2.44 0.00 0.00 57.07 56.36 1a68 s TYR 102 Cb 0.13 -3.27 0.07 0.00 0.35 0.00 0.00 41.96 39.25 1a68 s TYR 102 CO 0.19 -0.61 0.15 0.34 -1.34 0.00 0.00 175.55 174.28 1a68 s ASP 103 N 0.27 5.26 0.45 4.32 -1.08 0.52 -4.95 116.67 121.47 1a68 s ASP 103 Ca 0.51 -1.55 0.22 0.00 -0.52 0.00 0.00 52.55 51.21 1a68 s ASP 103 Cb -0.28 -1.84 1.09 0.00 -1.46 0.00 0.00 42.92 40.43 1a68 s ASP 103 CO 0.32 -0.43 1.93 1.55 0.52 0.00 0.00 175.17 179.06 1a68 h PRO 104 N 8.15 0.00 -0.11 4.34 0.13 -1.96 0.72 132.00 143.28 1a68 h PRO 104 Ca -0.19 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1a68 h PRO 104 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1a68 h PRO 104 CO 0.65 0.23 -0.08 1.25 -0.23 0.00 0.00 178.00 179.82 1a68 h LEU 105 N 0.00 0.25 -0.17 1.56 7.12 -1.95 -3.26 115.31 118.86 1a68 h LEU 105 Ca -0.00 -0.45 0.00 0.00 0.13 0.00 0.00 57.88 57.56 1a68 h LEU 105 Cb 0.55 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 1a68 h LEU 105 CO 0.03 0.65 -0.74 0.54 -0.13 0.00 0.00 178.44 178.79 1a68 n ARG 106 N -4.68 0.22 -3.52 1.25 1.74 -1.17 -5.00 116.66 105.50 1a68 n ARG 106 Ca -0.07 -0.17 -0.22 0.00 -0.77 0.00 0.00 57.85 56.62 1a68 n ARG 106 Cb 0.30 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.30 1a68 n ARG 106 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1a68 n ASN 107 N -1.24 -4.43 -3.64 0.55 5.15 0.25 -5.02 115.26 106.88 1a68 n ASN 107 Ca 0.06 -0.83 -0.10 0.00 -0.60 0.00 0.00 54.58 53.10 1a68 n ASN 107 Cb 0.35 -4.30 -0.04 0.00 -0.53 0.00 0.00 39.78 35.26 1a68 n ASN 107 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1a68 s GLU 108 N -5.40 1.28 -0.15 1.20 -1.05 -0.99 -4.69 118.70 108.90 1a68 s GLU 108 Ca 0.31 -0.74 -0.13 0.00 -0.15 0.00 0.00 54.97 54.26 1a68 s GLU 108 Cb -0.08 0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 34.09 1a68 s GLU 108 CO 0.80 -0.54 0.28 0.71 0.95 0.00 0.00 175.26 177.46 1a68 s TYR 109 N -3.83 3.49 -0.11 4.83 1.51 -0.64 -0.35 117.35 122.25 1a68 s TYR 109 Ca 0.06 0.60 0.01 0.00 -1.01 0.00 0.00 57.07 56.73 1a68 s TYR 109 Cb -0.00 -2.29 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 1a68 s TYR 109 CO -0.07 0.32 -0.16 0.12 -1.11 0.00 0.00 175.55 174.65 1a68 s PHE 110 N 0.20 2.74 -0.11 2.71 5.36 -0.35 0.12 117.98 128.64 1a68 s PHE 110 Ca 0.16 -0.67 0.01 0.00 -0.96 0.00 0.00 56.93 55.47 1a68 s PHE 110 Cb -0.13 -1.78 0.02 0.00 -0.34 0.00 0.00 43.02 40.79 1a68 s PHE 110 CO 0.04 -0.21 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.43 1a68 s PHE 111 N 0.21 1.68 -1.23 10.12 0.08 -0.30 -4.86 117.98 123.67 1a68 s PHE 111 Ca -0.10 -0.81 -0.08 0.00 0.12 0.00 0.00 56.93 56.07 1a68 s PHE 111 Cb -0.16 -1.29 0.20 0.00 -0.57 0.00 0.00 43.02 41.20 1a68 s PHE 111 CO 0.06 -0.48 1.82 -3.47 -0.10 0.00 0.00 175.22 173.04 1a68 n ASP 112 N 4.54 5.64 -3.56 1.36 2.03 -1.26 -0.85 116.55 124.45 1a68 n ASP 112 Ca -0.17 -3.20 -0.19 0.00 0.52 0.00 0.00 54.79 51.75 1a68 n ASP 112 Cb 0.51 -1.41 -0.08 0.00 -0.72 0.00 0.00 41.12 39.41 1a68 n ASP 112 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1a68 s ARG 113 N -0.59 1.72 -0.00 -0.67 0.52 -1.26 -4.97 118.95 113.69 1a68 s ARG 113 Ca 0.38 -2.00 -0.36 0.00 -0.52 0.00 0.00 55.73 53.24 1a68 s ARG 113 Cb 0.09 0.19 -0.15 0.00 0.52 0.00 0.00 34.95 35.61 1a68 s ARG 113 CO 0.02 -0.60 1.61 -1.71 0.02 0.00 0.00 175.30 174.64 1a68 n ASN 114 N -1.37 2.61 -0.04 0.23 2.85 -1.26 -4.39 115.26 113.89 1a68 n ASN 114 Ca 0.05 1.07 -0.15 0.00 -0.11 0.00 0.00 54.58 55.44 1a68 n ASN 114 Cb 0.63 -1.29 -0.12 0.00 1.24 0.00 0.00 39.78 40.24 1a68 n ASN 114 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1a68 h ARG 115 N 6.51 0.06 -0.65 1.20 3.08 -1.97 -3.36 114.38 119.25 1a68 h ARG 115 Ca -0.47 -0.09 0.08 0.00 0.07 0.00 0.00 59.98 59.58 1a68 h ARG 115 Cb 1.29 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.33 1a68 h ARG 115 CO 0.88 0.95 0.43 -1.35 -1.07 0.00 0.00 179.97 179.81 1a68 h PRO 116 N -0.78 0.54 0.00 0.04 0.11 -1.97 -2.36 132.00 127.58 1a68 h PRO 116 Ca -0.02 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 1a68 h PRO 116 Cb 1.01 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1a68 h PRO 116 CO 0.03 0.36 -0.38 0.77 -0.21 0.00 0.00 178.00 178.56 1a68 h SER 117 N 0.56 0.00 0.16 -2.05 0.02 -1.99 -3.27 113.55 106.97 1a68 h SER 117 Ca 0.29 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1a68 h SER 117 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1a68 h SER 117 CO -0.09 0.38 -0.11 0.15 -1.14 0.00 0.00 176.83 176.02 1a68 h PHE 118 N 0.00 0.00 -0.72 3.45 3.57 -1.57 -2.66 116.94 119.02 1a68 h PHE 118 Ca -0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1a68 h PHE 118 Cb 0.76 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 1a68 h PHE 118 CO 0.00 0.11 0.43 -0.44 -2.23 0.00 0.00 178.31 176.18 1a68 h ASP 119 N 0.00 0.69 0.63 0.41 3.32 -1.73 0.24 116.42 119.98 1a68 h ASP 119 Ca -0.00 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 1a68 h ASP 119 Cb 0.22 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1a68 h ASP 119 CO 0.01 0.46 -0.68 0.00 -1.72 0.00 0.00 179.24 177.32 1a68 h ALA 120 N 1.33 0.86 0.02 3.45 0.00 -1.71 -2.08 119.26 121.14 1a68 h ALA 120 Ca 0.30 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1a68 h ALA 120 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1a68 h ALA 120 CO -0.14 0.83 -0.01 0.82 0.00 0.00 0.00 179.25 180.75 1a68 h ILE 121 N 0.03 1.27 -0.84 0.00 1.08 -1.14 -2.61 117.51 115.30 1a68 h ILE 121 Ca -0.01 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.55 1a68 h ILE 121 Cb 1.20 1.88 -0.04 0.00 -3.07 0.00 0.00 36.82 36.79 1a68 h ILE 121 CO 0.09 0.23 0.50 0.25 -0.69 0.00 0.00 178.15 178.54 1a68 h LEU 122 N -0.42 1.02 -1.94 1.44 5.85 -0.99 -2.15 115.31 118.11 1a68 h LEU 122 Ca -0.00 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1a68 h LEU 122 Cb 0.40 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1a68 h LEU 122 CO 0.00 0.79 -0.04 0.22 -0.34 0.00 0.00 178.44 179.08 1a68 h TYR 123 N 1.16 0.00 -0.63 1.25 3.20 -1.37 -1.59 116.97 118.99 1a68 h TYR 123 Ca 0.30 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.22 1a68 h TYR 123 Cb -0.04 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1a68 h TYR 123 CO -0.00 0.04 0.35 0.35 -1.64 0.00 0.00 178.16 177.26 1a68 h PHE 124 N 0.00 0.65 -0.06 -3.82 3.57 -0.98 0.19 116.94 116.50 1a68 h PHE 124 Ca -0.00 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1a68 h PHE 124 Cb 0.07 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1a68 h PHE 124 CO 0.00 0.33 -0.20 1.88 -2.23 0.00 0.00 178.31 178.09 1a68 h TYR 125 N 0.67 0.31 -0.44 0.41 -1.99 -1.37 0.32 116.97 114.88 1a68 h TYR 125 Ca 0.28 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.86 1a68 h TYR 125 Cb 0.14 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 1a68 h TYR 125 CO -0.08 0.82 0.21 1.96 -0.00 0.00 0.00 178.16 181.08 1a68 h GLN 126 N -0.30 0.61 -0.01 4.88 4.20 -1.09 -2.39 115.11 121.02 1a68 h GLN 126 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1a68 h GLN 126 Cb 0.84 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1a68 h GLN 126 CO 0.04 0.48 -0.14 -1.13 -0.67 0.00 0.00 178.83 177.41 1a68 n SER 127 N -4.40 0.81 -0.13 1.46 3.41 0.65 -4.93 113.62 110.50 1a68 n SER 127 Ca 0.03 -0.85 -0.01 0.00 -0.26 0.00 0.00 58.87 57.78 1a68 n SER 127 Cb 0.12 0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1a68 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a68 n GLY 128 N 1.27 0.36 0.00 5.00 0.00 -0.90 -4.36 105.19 106.57 1a68 n GLY 128 Ca 0.15 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1a68 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a68 n GLY 129 N -1.50 0.96 3.67 -0.02 0.00 0.11 -5.03 105.19 103.38 1a68 n GLY 129 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1a68 n GLY 129 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a68 s ARG 130 N 0.00 4.22 -0.20 1.61 3.52 -1.24 -5.02 118.95 121.84 1a68 s ARG 130 Ca 0.00 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.14 1a68 s ARG 130 Cb 0.00 -3.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1a68 s ARG 130 CO 0.00 -0.16 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.01 1a68 s LEU 131 N 1.66 2.51 -0.06 -0.88 2.96 -1.26 -3.68 118.68 119.93 1a68 s LEU 131 Ca 0.27 -0.72 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1a68 s LEU 131 Cb -0.16 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 44.99 1a68 s LEU 131 CO 0.10 -0.04 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.83 1a68 s ARG 132 N 1.30 1.73 -0.10 1.98 1.81 -1.26 -5.13 118.95 119.28 1a68 s ARG 132 Ca 0.03 -0.48 -0.29 0.00 -1.72 0.00 0.00 55.73 53.28 1a68 s ARG 132 Cb -0.14 -1.44 -0.02 0.00 -0.45 0.00 0.00 34.95 32.90 1a68 s ARG 132 CO -0.10 0.10 0.96 0.50 -0.68 0.00 0.00 175.30 176.07 1a68 s ARG 133 N 0.45 4.42 0.08 3.54 3.52 -1.26 -4.80 118.95 124.91 1a68 s ARG 133 Ca -0.11 1.31 -0.31 0.00 -0.13 0.00 0.00 55.73 56.48 1a68 s ARG 133 Cb -0.14 -3.53 -0.08 0.00 -1.56 0.00 0.00 34.95 29.63 1a68 s ARG 133 CO 0.03 -0.26 1.63 -2.14 -0.81 0.00 0.00 175.30 173.76 1a68 s PRO 134 N 1.82 4.20 0.32 5.12 0.02 -1.26 -4.87 135.00 140.35 1a68 s PRO 134 Ca 0.47 2.32 0.06 0.00 0.02 0.00 0.00 61.00 63.87 1a68 s PRO 134 Cb -0.18 -3.53 0.71 0.00 0.02 0.00 0.00 34.50 31.52 1a68 s PRO 134 CO 0.18 -0.71 1.84 0.28 -0.33 0.00 0.00 177.00 178.26 1a68 h VAL 135 N 4.69 0.83 0.00 3.83 2.07 -2.01 0.27 116.25 125.94 1a68 h VAL 135 Ca -0.42 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1a68 h VAL 135 Cb 1.20 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1a68 h VAL 135 CO 0.93 0.15 0.00 -0.46 0.02 0.00 0.00 177.57 178.20 1a68 n ASN 136 N -4.62 0.00 -4.39 0.57 0.23 -1.26 -4.56 115.26 101.22 1a68 n ASN 136 Ca 0.19 0.17 -0.34 0.00 -0.53 0.00 0.00 54.58 54.07 1a68 n ASN 136 Cb 0.46 -0.33 -0.13 0.00 -2.08 0.00 0.00 39.78 37.70 1a68 n ASN 136 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1a68 s VAL 137 N -2.66 3.45 0.46 3.53 1.01 0.08 -5.10 120.40 121.18 1a68 s VAL 137 Ca 0.12 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 1a68 s VAL 137 Cb 0.10 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.88 1a68 s VAL 137 CO 0.23 0.47 1.40 -2.84 0.00 0.00 0.00 175.10 174.36 1a68 s PRO 138 N 0.81 3.62 0.27 2.72 0.02 -1.26 -4.72 135.00 136.46 1a68 s PRO 138 Ca -0.02 2.35 -0.00 0.00 0.02 0.00 0.00 61.00 63.34 1a68 s PRO 138 Cb -0.15 -2.59 0.52 0.00 0.02 0.00 0.00 34.50 32.30 1a68 s PRO 138 CO 0.01 -0.84 1.81 1.25 -0.33 0.00 0.00 177.00 178.90 1a68 h LEU 139 N 2.21 0.75 -0.58 -5.54 6.46 -1.94 -1.35 115.31 115.33 1a68 h LEU 139 Ca -0.51 0.06 -0.13 0.00 -0.12 0.00 0.00 57.88 57.18 1a68 h LEU 139 Cb 1.27 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.10 1a68 h LEU 139 CO 0.61 0.38 -0.64 -2.24 -0.62 0.00 0.00 178.44 175.93 1a68 h ASP 140 N 0.83 0.00 -0.06 1.25 2.03 -2.00 -1.94 116.42 116.54 1a68 h ASP 140 Ca 0.47 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.69 1a68 h ASP 140 Cb 0.52 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1a68 h ASP 140 CO -0.29 0.64 -0.28 0.58 -1.03 0.00 0.00 179.24 178.86 1a68 h VAL 141 N 0.00 1.44 -0.66 4.15 2.07 -1.82 -3.14 116.25 118.29 1a68 h VAL 141 Ca -0.01 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 1a68 h VAL 141 Cb 1.22 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 33.32 1a68 h VAL 141 CO 0.08 0.48 0.33 0.15 0.02 0.00 0.00 177.57 178.64 1a68 h PHE 142 N -0.22 0.95 -0.33 1.57 3.57 -1.28 -2.71 116.94 118.49 1a68 h PHE 142 Ca -0.02 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1a68 h PHE 142 Cb 0.93 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1a68 h PHE 142 CO 0.13 0.70 0.08 0.66 -2.23 0.00 0.00 178.31 177.65 1a68 h SER 143 N 0.92 0.43 -0.20 0.41 4.64 -1.42 -1.39 113.55 116.94 1a68 h SER 143 Ca 0.23 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 1a68 h SER 143 Cb 0.10 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1a68 h SER 143 CO -0.03 0.44 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.91 1a68 h GLU 144 N 0.47 0.60 -0.25 4.77 3.07 -1.43 -2.11 114.58 119.70 1a68 h GLU 144 Ca 0.11 -0.19 -0.09 0.00 -0.50 0.00 0.00 59.36 58.70 1a68 h GLU 144 Cb 0.19 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1a68 h GLU 144 CO -0.00 0.72 -0.18 0.93 -1.40 0.00 0.00 179.01 179.07 1a68 h GLU 145 N 0.55 0.56 -0.84 2.33 4.39 -1.07 -1.81 114.58 118.69 1a68 h GLU 145 Ca 0.10 -0.27 0.06 0.00 0.34 0.00 0.00 59.36 59.59 1a68 h GLU 145 Cb 0.55 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.14 1a68 h GLU 145 CO 0.03 0.85 0.51 0.82 -1.16 0.00 0.00 179.01 180.07 1a68 h ILE 146 N 0.27 1.03 -0.52 3.13 2.04 -1.13 -0.41 117.51 121.91 1a68 h ILE 146 Ca 0.05 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 1a68 h ILE 146 Cb 0.72 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1a68 h ILE 146 CO 0.05 0.17 0.11 0.11 0.00 0.00 0.00 178.15 178.59 1a68 h LYS 147 N 0.93 0.85 -0.31 2.37 1.57 -1.30 -1.97 116.57 118.71 1a68 h LYS 147 Ca 0.37 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1a68 h LYS 147 Cb 0.18 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1a68 h LYS 147 CO -0.18 0.82 0.11 0.35 -0.57 0.00 0.00 179.45 179.98 1a68 h PHE 148 N 0.74 0.49 0.00 -1.35 3.57 -0.44 -2.74 116.94 117.20 1a68 h PHE 148 Ca 0.16 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1a68 h PHE 148 Cb 0.37 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1a68 h PHE 148 CO 0.03 0.49 0.00 0.66 -2.23 0.00 0.00 178.31 177.26 1a68 n TYR 149 N -4.70 0.00 -3.45 0.41 4.01 -0.25 -4.85 117.16 108.33 1a68 n TYR 149 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 1a68 n TYR 149 Cb 0.16 -0.19 0.08 0.00 -0.31 0.00 0.00 39.34 39.08 1a68 n TYR 149 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1a68 n GLU 150 N -1.19 -6.97 0.16 -0.72 1.02 -0.77 -1.89 120.64 110.28 1a68 n GLU 150 Ca 0.16 0.79 0.12 0.00 -0.02 0.00 0.00 57.16 58.20 1a68 n GLU 150 Cb 0.18 -5.67 0.08 0.00 -0.02 0.00 0.00 31.44 26.00 1a68 n GLU 150 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1a68 h LEU 151 N -2.23 0.00 -0.04 -4.62 3.38 -1.78 -3.41 115.31 106.62 1a68 h LEU 151 Ca -0.54 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1a68 h LEU 151 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1a68 h LEU 151 CO 0.50 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.64