#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrb s THR 57 N 0.00 0.15 0.05 -0.44 -4.23 -1.26 -4.24 115.64 105.67 1rrb s THR 57 Ca 0.00 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1rrb s THR 57 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 1rrb s THR 57 CO 0.00 -0.68 0.09 -0.51 -0.54 0.00 0.00 174.62 172.98 1rrb s ILE 58 N -2.87 4.68 -0.62 2.99 1.10 -1.10 -2.96 121.20 122.42 1rrb s ILE 58 Ca -0.03 -0.62 -0.10 0.00 -0.51 0.00 0.00 60.65 59.40 1rrb s ILE 58 Cb 0.00 -3.22 0.16 0.00 0.15 0.00 0.00 42.46 39.55 1rrb s ILE 58 CO -0.06 0.20 0.50 -0.13 -2.11 0.00 0.00 174.94 173.34 1rrb s ARG 59 N -2.20 2.87 -0.38 3.50 0.52 -1.17 -2.46 118.95 119.62 1rrb s ARG 59 Ca 0.28 -2.14 -0.19 0.00 -0.52 0.00 0.00 55.73 53.16 1rrb s ARG 59 Cb -0.12 -4.06 0.01 0.00 0.52 0.00 0.00 34.95 31.30 1rrb s ARG 59 CO 0.20 -1.23 0.53 0.08 0.02 0.00 0.00 175.30 174.91 1rrb s VAL 60 N 0.70 4.98 -0.01 3.52 1.01 0.29 0.11 120.40 131.00 1rrb s VAL 60 Ca 0.12 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 1rrb s VAL 60 Cb -0.21 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1rrb s VAL 60 CO -0.03 -0.33 1.14 -0.36 0.00 0.00 0.00 175.10 175.51 1rrb s PHE 61 N 2.46 3.40 1.48 5.22 0.40 0.31 -2.54 117.98 128.71 1rrb s PHE 61 Ca 0.19 1.37 -0.24 0.00 -0.60 0.00 0.00 56.93 57.65 1rrb s PHE 61 Cb -0.15 -3.34 0.38 0.00 0.51 0.00 0.00 43.02 40.42 1rrb s PHE 61 CO 0.15 -0.95 0.89 -0.51 0.70 0.00 0.00 175.22 175.50 1rrb s LEU 62 N 1.54 -1.56 0.00 -0.37 1.02 -0.69 -2.62 118.68 116.00 1rrb s LEU 62 Ca 0.55 0.82 -0.17 0.00 0.02 0.00 0.00 54.13 55.35 1rrb s LEU 62 Cb -0.25 -2.16 0.26 0.00 0.02 0.00 0.00 46.19 44.06 1rrb s LEU 62 CO 0.25 -5.66 0.82 -0.81 0.02 0.00 0.00 176.35 170.98 1rrb n PRO 63 N -5.83 -3.20 0.00 1.29 -0.04 -1.23 -3.80 135.00 122.18 1rrb n PRO 63 Ca 0.14 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1rrb n PRO 63 Cb 0.61 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1rrb n PRO 63 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1rrb n ASN 64 N -4.73 0.00 -2.70 3.54 5.15 -1.26 -3.53 115.26 111.73 1rrb n ASN 64 Ca 0.12 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 54.05 1rrb n ASN 64 Cb 0.47 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.77 1rrb n ASN 64 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1rrb n LYS 65 N 0.00 0.30 -4.15 1.20 -0.00 -1.26 -5.10 118.16 109.15 1rrb n LYS 65 Ca 0.00 -1.17 -0.16 0.00 -0.00 0.00 0.00 58.31 56.98 1rrb n LYS 65 Cb 0.00 -0.53 -0.11 0.00 -0.00 0.00 0.00 35.03 34.38 1rrb n LYS 65 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1rrb s GLN 66 N 0.70 0.76 -0.33 -1.58 -1.52 -1.23 -4.98 119.66 111.48 1rrb s GLN 66 Ca 0.27 -0.98 -0.01 0.00 -1.95 0.00 0.00 55.36 52.68 1rrb s GLN 66 Cb 0.13 -0.60 0.07 0.00 -0.22 0.00 0.00 33.01 32.40 1rrb s GLN 66 CO -0.11 0.12 0.06 0.50 -0.25 0.00 0.00 175.29 175.61 1rrb s ARG 67 N -2.07 2.20 0.07 2.91 3.52 -1.26 -1.70 118.95 122.61 1rrb s ARG 67 Ca -0.01 -1.49 0.09 0.00 -0.13 0.00 0.00 55.73 54.19 1rrb s ARG 67 Cb -0.07 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1rrb s ARG 67 CO 0.01 -0.78 -0.25 0.99 -0.81 0.00 0.00 175.30 174.47 1rrb s THR 68 N 1.18 2.01 -0.08 4.11 2.01 -1.05 -4.93 115.64 118.89 1rrb s THR 68 Ca 0.00 -1.44 -0.04 0.00 0.31 0.00 0.00 61.69 60.52 1rrb s THR 68 Cb -0.21 -1.75 0.04 0.00 0.01 0.00 0.00 72.50 70.59 1rrb s THR 68 CO -0.03 0.23 0.18 0.54 -0.69 0.00 0.00 174.62 174.84 1rrb s VAL 69 N -0.89 -0.04 0.39 3.82 0.11 -1.26 0.11 120.40 122.64 1rrb s VAL 69 Ca 0.11 0.15 0.04 0.00 -2.93 0.00 0.00 61.98 59.34 1rrb s VAL 69 Cb -0.10 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1rrb s VAL 69 CO 0.03 0.06 0.14 0.68 -3.33 0.00 0.00 175.10 172.68 1rrb s VAL 70 N 1.04 0.55 -0.36 2.04 -7.23 -1.03 -4.95 120.40 110.46 1rrb s VAL 70 Ca -0.08 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.81 1rrb s VAL 70 Cb -0.10 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.48 1rrb s VAL 70 CO -0.06 0.00 1.02 0.20 -0.31 0.00 0.00 175.10 175.95 1rrb s ASN 71 N -3.57 6.79 -0.64 4.85 0.01 -1.26 -2.72 114.94 118.39 1rrb s ASN 71 Ca 0.26 0.80 0.05 0.00 -0.71 0.00 0.00 52.86 53.26 1rrb s ASN 71 Cb 0.03 -2.51 0.28 0.00 0.41 0.00 0.00 41.25 39.46 1rrb s ASN 71 CO 0.16 -0.91 0.85 1.33 -1.51 0.00 0.00 177.10 177.02 1rrb n VAL 72 N 6.02 2.75 -1.53 1.60 0.24 -1.26 -4.99 118.33 121.16 1rrb n VAL 72 Ca 0.10 -5.37 0.00 0.00 -2.04 0.00 0.00 64.34 57.03 1rrb n VAL 72 Cb 0.48 -1.89 0.00 0.00 -1.47 0.00 0.00 33.84 30.96 1rrb n VAL 72 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1rrb n ARG 73 N 0.53 1.21 0.00 7.34 3.00 -1.26 -2.57 116.66 124.91 1rrb n ARG 73 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.15 1rrb n ARG 73 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.86 1rrb n ARG 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1rrb n ASN 74 N -1.59 0.00 -1.94 6.15 3.02 -1.26 -1.98 115.26 117.66 1rrb n ASN 74 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 1rrb n ASN 74 Cb 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 1rrb n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rrb n GLY 75 N 0.00 0.46 3.55 7.41 0.00 -1.26 -4.95 105.19 110.40 1rrb n GLY 75 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1rrb n GLY 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rrb n MET 76 N -0.69 0.48 -0.71 1.61 2.81 -0.84 -4.81 117.12 114.98 1rrb n MET 76 Ca -0.09 -0.87 -0.29 0.00 -1.81 0.00 0.00 57.70 54.63 1rrb n MET 76 Cb 0.66 -3.55 0.21 0.00 -0.71 0.00 0.00 33.22 29.83 1rrb n MET 76 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1rrb s SER 77 N 10.03 2.00 0.54 7.83 1.04 -1.26 -2.70 113.70 131.18 1rrb s SER 77 Ca 0.94 1.72 0.20 0.00 0.48 0.00 0.00 55.95 59.29 1rrb s SER 77 Cb -0.17 -2.36 1.42 0.00 0.10 0.00 0.00 66.02 65.01 1rrb s SER 77 CO 0.12 -3.60 2.17 -0.07 0.98 0.00 0.00 173.24 172.84 1rrb h LEU 78 N -2.21 0.00 -1.52 2.42 3.38 -1.76 -1.80 115.31 113.83 1rrb h LEU 78 Ca -0.54 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.45 1rrb h LEU 78 Cb 1.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 1rrb h LEU 78 CO 0.48 0.00 0.34 -0.74 0.09 0.00 0.00 178.44 178.61 1rrb h HIS 79 N 0.00 0.61 0.04 1.13 2.76 -1.88 0.86 115.15 118.67 1rrb h HIS 79 Ca 0.01 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 1rrb h HIS 79 Cb 0.06 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 28.82 1rrb h HIS 79 CO 0.00 0.37 -0.31 -0.44 -1.30 0.00 0.00 177.93 176.25 1rrb h ASP 80 N 0.65 0.13 -0.32 3.26 5.19 -1.66 -2.12 116.42 121.55 1rrb h ASP 80 Ca 0.20 -0.96 -0.08 0.00 -0.62 0.00 0.00 57.03 55.57 1rrb h ASP 80 Cb -0.01 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 1rrb h ASP 80 CO -0.05 1.14 -0.07 0.00 -3.12 0.00 0.00 179.24 177.14 1rrb h LEU 82 N 0.66 -0.01 -1.87 0.00 3.38 -0.96 -3.13 115.31 113.38 1rrb h LEU 82 Ca 0.12 -0.83 0.17 0.00 0.09 0.00 0.00 57.88 57.43 1rrb h LEU 82 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1rrb h LEU 82 CO 0.03 0.89 0.59 -0.03 0.09 0.00 0.00 178.44 180.01 1rrb h MET 83 N -0.96 0.00 0.00 1.13 4.05 -1.42 0.63 114.93 118.36 1rrb h MET 83 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1rrb h MET 83 Cb 0.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1rrb h MET 83 CO 0.00 0.00 -0.00 0.87 0.23 0.00 0.00 176.91 178.01 1rrb h LYS 84 N 0.00 -0.00 -0.14 0.39 1.79 -1.55 -1.80 116.57 115.26 1rrb h LYS 84 Ca 0.28 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.79 1rrb h LYS 84 Cb 1.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.10 1rrb h LYS 84 CO -0.00 -0.00 0.25 0.00 -1.08 0.00 0.00 179.45 178.61 1rrb h ALA 85 N -2.00 1.61 -0.14 3.86 0.00 -1.43 0.13 119.26 121.29 1rrb h ALA 85 Ca -0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1rrb h ALA 85 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1rrb h ALA 85 CO 0.00 -0.32 -0.26 1.25 0.00 0.00 0.00 179.25 179.92 1rrb h LEU 86 N 0.00 0.47 -0.26 0.00 6.46 0.23 -2.92 115.31 119.29 1rrb h LEU 86 Ca 0.07 -0.55 -0.16 0.00 -0.12 0.00 0.00 57.88 57.11 1rrb h LEU 86 Cb 0.56 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 1rrb h LEU 86 CO -0.00 0.93 -0.77 0.07 -0.62 0.00 0.00 178.44 178.05 1rrb h LYS 87 N 0.02 0.00 -0.12 1.25 2.10 -0.13 0.23 116.57 119.93 1rrb h LYS 87 Ca 0.01 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.63 1rrb h LYS 87 Cb 0.85 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.17 1rrb h LYS 87 CO 0.06 0.77 -0.04 0.28 -2.00 0.00 0.00 179.45 178.51 1rrb h VAL 88 N 0.00 1.11 0.00 0.07 2.07 -0.84 -2.26 116.25 116.39 1rrb h VAL 88 Ca -0.01 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1rrb h VAL 88 Cb 1.47 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1rrb h VAL 88 CO 0.10 0.14 -1.47 0.54 0.02 0.00 0.00 177.57 176.90 1rrb n ARG 89 N -4.39 0.47 -0.99 1.57 5.12 -1.11 -4.97 116.66 112.37 1rrb n ARG 89 Ca -0.01 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 1rrb n ARG 89 Cb 0.18 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 1rrb n ARG 89 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rrb n GLY 90 N 1.31 0.99 0.00 -0.13 0.00 -0.66 -5.08 105.19 101.61 1rrb n GLY 90 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1rrb n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rrb n LEU 91 N 0.00 0.00 -3.51 0.99 4.77 0.73 -4.99 117.00 114.99 1rrb n LEU 91 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1rrb n LEU 91 Cb 0.21 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1rrb n LEU 91 CO 0.00 0.00 0.45 0.00 -1.33 0.00 0.00 177.39 176.51 1rrb s GLN 92 N 1.82 1.08 0.15 3.23 -2.07 -1.26 -4.77 119.66 117.83 1rrb s GLN 92 Ca 0.00 0.13 0.00 0.00 -1.82 0.00 0.00 55.36 53.67 1rrb s GLN 92 Cb 0.00 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.38 1rrb s GLN 92 CO 0.00 -0.36 1.34 -1.00 -1.32 0.00 0.00 175.29 173.95 1rrb h PRO 93 N 2.81 0.26 -0.02 9.60 0.13 -1.97 -1.93 132.00 140.88 1rrb h PRO 93 Ca -0.28 -0.29 0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1rrb h PRO 93 Cb 1.17 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1rrb h PRO 93 CO 0.38 1.01 0.04 0.93 -0.23 0.00 0.00 178.00 180.13 1rrb h GLU 94 N 0.14 0.00 0.00 0.86 5.08 -2.02 -2.67 114.58 115.97 1rrb h GLU 94 Ca -0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1rrb h GLU 94 Cb 1.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 1rrb h GLU 94 CO 0.15 0.00 -1.78 0.00 -1.00 0.00 0.00 179.01 176.37 1rrb s ALA 97 N -1.24 2.32 0.07 0.00 0.00 0.18 -4.71 121.76 118.37 1rrb s ALA 97 Ca 0.26 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1rrb s ALA 97 Cb -0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1rrb s ALA 97 CO 0.14 0.24 0.21 0.14 0.00 0.00 0.00 175.76 176.49 1rrb s VAL 98 N -2.36 5.37 -0.15 0.00 -7.23 -1.26 -2.05 120.40 112.72 1rrb s VAL 98 Ca 0.22 -0.41 -0.11 0.00 -1.81 0.00 0.00 61.98 59.87 1rrb s VAL 98 Cb -0.05 -3.63 0.05 0.00 0.56 0.00 0.00 36.38 33.31 1rrb s VAL 98 CO 0.10 0.13 0.38 -0.36 -0.31 0.00 0.00 175.10 175.03 1rrb s PHE 99 N -1.52 -0.47 0.27 2.82 0.08 0.29 -3.37 117.98 116.08 1rrb s PHE 99 Ca 0.35 1.09 -0.10 0.00 0.12 0.00 0.00 56.93 58.39 1rrb s PHE 99 Cb -0.13 0.18 -0.07 0.00 -0.57 0.00 0.00 43.02 42.43 1rrb s PHE 99 CO 0.28 -0.25 0.60 -0.98 -0.10 0.00 0.00 175.22 174.77 1rrb s ARG 100 N 0.71 3.79 0.39 0.44 1.70 0.05 0.11 118.95 126.15 1rrb s ARG 100 Ca -0.04 0.30 -0.25 0.00 -0.47 0.00 0.00 55.73 55.27 1rrb s ARG 100 Cb -0.05 -2.59 -0.11 0.00 -0.57 0.00 0.00 34.95 31.63 1rrb s ARG 100 CO -0.05 0.23 0.96 -0.11 -1.08 0.00 0.00 175.30 175.26 1rrb n LEU 101 N -0.46 2.16 -4.54 -1.89 7.94 -1.01 -2.38 117.00 116.83 1rrb n LEU 101 Ca 0.01 1.05 -0.40 0.00 -1.11 0.00 0.00 56.01 55.56 1rrb n LEU 101 Cb 0.53 -1.31 -0.05 0.00 0.53 0.00 0.00 43.42 43.11 1rrb n LEU 101 CO 0.45 -1.61 1.99 0.18 -1.11 0.00 0.00 177.39 177.29 1rrb n LEU 102 N 0.74 2.22 -3.56 -1.96 4.32 -1.26 -4.59 117.00 112.92 1rrb n LEU 102 Ca 0.10 -0.16 -0.39 0.00 -0.02 0.00 0.00 56.01 55.54 1rrb n LEU 102 Cb 0.38 -1.45 -0.04 0.00 -1.62 0.00 0.00 43.42 40.69 1rrb n LEU 102 CO 0.57 -1.18 2.35 0.00 -1.22 0.00 0.00 177.39 177.91 1rrb n GLN 103 N 8.78 2.00 -3.38 3.23 10.64 -1.26 -4.39 117.38 132.99 1rrb n GLN 103 Ca 0.40 -1.96 -0.16 0.00 -1.83 0.00 0.00 57.00 53.44 1rrb n GLN 103 Cb 0.42 -2.92 0.03 0.00 -0.86 0.00 0.00 30.24 26.91 1rrb n GLN 103 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1rrb n GLU 104 N 6.18 -1.56 0.00 2.61 2.13 -1.26 -5.02 120.64 123.72 1rrb n GLU 104 Ca 0.51 0.93 0.00 0.00 0.66 0.00 0.00 57.16 59.26 1rrb n GLU 104 Cb 0.35 -4.87 0.00 0.00 0.27 0.00 0.00 31.44 27.18 1rrb n GLU 104 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1rrb n HIS 105 N -2.98 0.00 0.00 4.31 -0.00 -1.26 -5.09 115.22 110.20 1rrb n HIS 105 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 1rrb n HIS 105 Cb 0.58 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 1rrb n HIS 105 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1rrb n LYS 106 N 0.00 0.00 -1.22 1.57 5.02 -1.26 -4.88 118.16 117.39 1rrb n LYS 106 Ca 0.00 0.20 -0.02 0.00 -2.02 0.00 0.00 58.31 56.47 1rrb n LYS 106 Cb 0.00 -1.10 0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1rrb n LYS 106 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rrb n GLY 107 N -0.12 -0.05 2.96 0.72 0.00 -1.26 -5.14 105.19 102.30 1rrb n GLY 107 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1rrb n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rrb s LYS 108 N 0.02 0.38 0.62 1.61 -2.85 -1.26 -5.13 119.74 113.13 1rrb s LYS 108 Ca 0.01 -0.24 -0.18 0.00 -1.00 0.00 0.00 55.97 54.56 1rrb s LYS 108 Cb 0.07 -0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 35.48 1rrb s LYS 108 CO -0.02 0.09 1.15 0.36 0.10 0.00 0.00 175.35 177.03 1rrb n LYS 109 N 2.77 1.04 -3.35 1.78 0.00 -1.26 -4.72 118.16 114.42 1rrb n LYS 109 Ca -0.14 0.41 -0.33 0.00 -0.00 0.00 0.00 58.31 58.24 1rrb n LYS 109 Cb 0.58 -2.38 -0.06 0.00 -0.00 0.00 0.00 35.03 33.18 1rrb n LYS 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rrb s ALA 110 N -1.44 3.53 0.86 0.58 0.00 -1.00 -4.93 121.76 119.36 1rrb s ALA 110 Ca 0.79 -0.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 1rrb s ALA 110 Cb -0.40 -2.52 0.11 0.00 0.00 0.00 0.00 23.12 20.31 1rrb s ALA 110 CO 0.44 0.46 1.09 0.50 0.00 0.00 0.00 175.76 178.25 1rrb s ARG 111 N -2.55 1.52 -0.11 0.00 6.06 -1.26 -0.77 118.95 121.84 1rrb s ARG 111 Ca 0.45 0.78 -0.13 0.00 -2.50 0.00 0.00 55.73 54.33 1rrb s ARG 111 Cb -0.12 -1.84 0.03 0.00 0.06 0.00 0.00 34.95 33.08 1rrb s ARG 111 CO 0.20 -2.05 0.36 -1.17 -2.50 0.00 0.00 175.30 170.14 1rrb s LEU 112 N -6.08 0.64 0.93 -0.88 0.20 -1.22 -4.25 118.68 108.02 1rrb s LEU 112 Ca 0.63 0.59 -0.12 0.00 0.69 0.00 0.00 54.13 55.91 1rrb s LEU 112 Cb -0.17 1.28 0.15 0.00 -0.43 0.00 0.00 46.19 47.02 1rrb s LEU 112 CO 0.56 -0.21 1.09 1.51 -0.29 0.00 0.00 176.35 179.01 1rrb s ASP 113 N -0.18 3.17 -0.43 3.68 -4.77 -1.26 -4.67 116.67 112.20 1rrb s ASP 113 Ca -0.03 1.42 0.01 0.00 -3.30 0.00 0.00 52.55 50.65 1rrb s ASP 113 Cb -0.03 -2.10 0.47 0.00 -1.09 0.00 0.00 42.92 40.17 1rrb s ASP 113 CO 0.02 -2.82 1.85 0.79 0.70 0.00 0.00 175.17 175.71 1rrb n TRP 114 N -4.00 2.53 -2.02 2.11 7.02 -1.26 -4.14 117.44 117.69 1rrb n TRP 114 Ca 0.06 -2.00 -0.02 0.00 -1.02 0.00 0.00 57.50 54.53 1rrb n TRP 114 Cb 0.56 -0.99 -0.02 0.00 -2.42 0.00 0.00 31.31 28.44 1rrb n TRP 114 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1rrb n ASN 115 N -0.68 -0.23 -4.83 -0.99 4.13 -1.26 -4.28 115.26 107.11 1rrb n ASN 115 Ca 0.49 -1.41 -0.31 0.00 1.68 0.00 0.00 54.58 55.03 1rrb n ASN 115 Cb 1.13 0.05 0.04 0.00 -1.54 0.00 0.00 39.78 39.47 1rrb n ASN 115 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1rrb s THR 116 N 0.00 4.11 -0.34 3.41 -1.32 -1.26 -4.77 115.64 115.46 1rrb s THR 116 Ca 0.01 0.69 -0.21 0.00 -1.21 0.00 0.00 61.69 60.97 1rrb s THR 116 Cb 0.02 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.53 1rrb s THR 116 CO -0.01 -0.90 0.69 -1.81 -2.21 0.00 0.00 174.62 170.39 1rrb s ASP 117 N -3.88 6.50 0.33 8.08 1.01 -1.26 -2.31 116.67 125.15 1rrb s ASP 117 Ca 0.58 0.30 0.16 0.00 0.71 0.00 0.00 52.55 54.30 1rrb s ASP 117 Cb -0.13 -2.35 0.54 0.00 1.01 0.00 0.00 42.92 41.98 1rrb s ASP 117 CO 0.55 -0.61 1.67 0.00 0.21 0.00 0.00 175.17 176.99 1rrb h ALA 118 N 8.38 0.96 0.00 5.23 0.00 -1.81 -2.73 119.26 129.29 1rrb h ALA 118 Ca -0.26 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1rrb h ALA 118 Cb 1.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1rrb h ALA 118 CO 0.85 0.58 0.00 0.00 0.00 0.00 0.00 179.25 180.69 1rrb n ALA 119 N -2.33 1.45 -0.01 0.00 0.00 -1.06 -1.64 120.51 116.92 1rrb n ALA 119 Ca -0.00 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.54 1rrb n ALA 119 Cb 0.56 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.64 1rrb n ALA 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rrb n SER 120 N -1.86 1.79 0.01 0.00 2.88 -1.05 -4.39 113.62 111.01 1rrb n SER 120 Ca 0.02 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.68 1rrb n SER 120 Cb 0.14 1.58 0.27 0.00 -0.75 0.00 0.00 64.21 65.45 1rrb n SER 120 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1rrb n LEU 121 N -2.02 0.48 -4.36 2.46 7.94 -0.88 -4.95 117.00 115.66 1rrb n LEU 121 Ca -0.04 0.07 -0.40 0.00 -1.11 0.00 0.00 56.01 54.53 1rrb n LEU 121 Cb 0.41 -0.26 0.01 0.00 0.53 0.00 0.00 43.42 44.11 1rrb n LEU 121 CO 0.29 0.10 -0.28 0.00 -1.11 0.00 0.00 177.39 176.39 1rrb n ILE 122 N -1.57 1.06 0.00 1.96 0.00 -0.65 -2.19 119.36 117.97 1rrb n ILE 122 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 62.75 62.30 1rrb n ILE 122 Cb 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 39.64 39.71 1rrb n ILE 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1rrb n GLY 123 N 2.14 2.82 0.00 4.50 0.00 -1.16 -4.97 105.19 108.53 1rrb n GLY 123 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1rrb n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rrb n GLU 124 N 0.00 1.72 -3.92 1.61 1.02 -0.93 -4.99 120.64 115.15 1rrb n GLU 124 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1rrb n GLU 124 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 1rrb n GLU 124 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1rrb s GLU 125 N -0.20 0.49 0.22 3.49 2.02 -1.26 -3.07 118.70 120.38 1rrb s GLU 125 Ca 0.00 0.06 -0.03 0.00 0.02 0.00 0.00 54.97 55.03 1rrb s GLU 125 Cb 0.00 -0.71 -0.05 0.00 0.10 0.00 0.00 34.13 33.47 1rrb s GLU 125 CO 0.00 -0.18 0.44 -1.17 0.02 0.00 0.00 175.26 174.36 1rrb s LEU 126 N 1.34 4.19 0.12 1.80 0.20 0.29 -2.39 118.68 124.22 1rrb s LEU 126 Ca -0.05 0.53 0.05 0.00 0.69 0.00 0.00 54.13 55.34 1rrb s LEU 126 Cb -0.13 -3.30 -0.04 0.00 -0.43 0.00 0.00 46.19 42.29 1rrb s LEU 126 CO -0.02 -0.07 -0.12 -1.58 -0.29 0.00 0.00 176.35 174.27 1rrb s GLN 127 N -3.27 0.95 -0.04 1.98 0.74 0.31 0.11 119.66 120.45 1rrb s GLN 127 Ca 0.40 -1.23 -0.05 0.00 0.05 0.00 0.00 55.36 54.53 1rrb s GLN 127 Cb -0.11 -0.71 0.01 0.00 1.10 0.00 0.00 33.01 33.30 1rrb s GLN 127 CO 0.28 0.12 0.14 0.08 -0.55 0.00 0.00 175.29 175.36 1rrb s VAL 128 N -2.43 0.02 0.08 1.34 1.01 -1.08 0.10 120.40 119.44 1rrb s VAL 128 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1rrb s VAL 128 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1rrb s VAL 128 CO 0.01 -0.08 0.12 -0.67 0.00 0.00 0.00 175.10 174.49 1rrb n ASP 129 N 2.69 -0.35 -4.55 3.32 2.03 -0.87 -3.54 116.55 115.28 1rrb n ASP 129 Ca -0.15 -1.43 -0.43 0.00 0.52 0.00 0.00 54.79 53.30 1rrb n ASP 129 Cb 0.58 0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 41.57 1rrb n ASP 129 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1rrb s PHE 130 N -4.94 2.97 -2.00 -0.67 0.08 -1.26 0.51 117.98 112.67 1rrb s PHE 130 Ca 0.06 0.28 0.05 0.00 0.12 0.00 0.00 56.93 57.45 1rrb s PHE 130 Cb -0.00 -3.77 0.31 0.00 -0.57 0.00 0.00 43.02 38.99 1rrb s PHE 130 CO 0.05 -1.01 0.78 1.47 -0.10 0.00 0.00 175.22 176.41