#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6f s SER 2 N 0.00 4.73 -0.30 3.17 0.01 -1.26 -5.03 113.70 115.02 1u6f s SER 2 Ca 0.00 -1.85 -0.10 0.00 1.31 0.00 0.00 55.95 55.31 1u6f s SER 2 Cb 0.00 -1.63 0.18 0.00 0.21 0.00 0.00 66.02 64.78 1u6f s SER 2 CO 0.00 -0.33 0.94 -1.58 0.41 0.00 0.00 173.24 172.67 1u6f s GLN 3 N 1.01 0.28 -0.20 12.44 0.74 -1.26 -5.08 119.66 127.59 1u6f s GLN 3 Ca 0.04 0.48 -0.06 0.00 0.05 0.00 0.00 55.36 55.87 1u6f s GLN 3 Cb -0.20 0.27 0.02 0.00 1.10 0.00 0.00 33.01 34.20 1u6f s GLN 3 CO -0.06 -0.32 0.12 -0.89 -0.55 0.00 0.00 175.29 173.58 1u6f n ILE 4 N 5.45-11.01 -1.92 -2.34 5.41 -1.26 -4.80 119.36 108.89 1u6f n ILE 4 Ca -0.04 2.02 -0.35 0.00 1.00 0.00 0.00 62.75 65.38 1u6f n ILE 4 Cb 0.53 -6.27 -0.04 0.00 -0.71 0.00 0.00 39.64 33.16 1u6f n ILE 4 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1u6f s PRO 5 N -1.01 2.45 -1.02 0.38 0.04 -1.26 -4.89 135.00 129.69 1u6f s PRO 5 Ca -0.14 0.62 -0.04 0.00 0.04 0.00 0.00 61.00 61.48 1u6f s PRO 5 Cb 0.01 -4.56 0.28 0.00 0.04 0.00 0.00 34.50 30.27 1u6f s PRO 5 CO 0.67 -3.05 1.23 1.28 0.04 0.00 0.00 177.00 177.16 1u6f n LEU 6 N 13.94 5.63 -4.43 -3.56 4.77 -1.26 -5.01 117.00 127.08 1u6f n LEU 6 Ca 0.28 -5.19 -0.33 0.00 -0.03 0.00 0.00 56.01 50.75 1u6f n LEU 6 Cb 0.51 -1.23 -0.14 0.00 -2.33 0.00 0.00 43.42 40.24 1u6f n LEU 6 CO 0.68 1.64 -0.47 -0.69 -1.33 0.00 0.00 177.39 177.23 1u6f s VAL 7 N -2.24 2.92 0.16 4.08 1.01 -1.26 -5.12 120.40 119.95 1u6f s VAL 7 Ca 0.32 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 1u6f s VAL 7 Cb 0.01 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.30 1u6f s VAL 7 CO 0.02 0.58 0.54 -0.94 0.00 0.00 0.00 175.10 175.30 1u6f s SER 8 N -0.51 -0.44 -0.43 3.32 1.04 -1.26 -5.04 113.70 110.38 1u6f s SER 8 Ca 0.07 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.38 1u6f s SER 8 Cb -0.12 0.57 0.61 0.00 0.10 0.00 0.00 66.02 67.18 1u6f s SER 8 CO 0.01 -0.96 1.86 0.00 0.98 0.00 0.00 173.24 175.14 1u6f n GLN 9 N -0.33 2.18 -3.44 4.02 6.02 -1.26 -4.65 117.38 119.92 1u6f n GLN 9 Ca -0.16 -2.81 -0.27 0.00 -0.01 0.00 0.00 57.00 53.75 1u6f n GLN 9 Cb 0.64 -2.10 -0.10 0.00 1.02 0.00 0.00 30.24 29.70 1u6f n GLN 9 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1u6f n TYR 10 N -1.01 -0.44 -3.85 1.08 4.02 -1.26 -5.09 117.16 110.60 1u6f n TYR 10 Ca 0.56 -3.43 -0.36 0.00 -0.01 0.00 0.00 57.90 54.66 1u6f n TYR 10 Cb 1.54 0.14 -0.13 0.00 -0.02 0.00 0.00 39.34 40.87 1u6f n TYR 10 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1u6f s ASP 11 N -0.17 4.66 0.66 7.72 2.15 -1.26 -5.10 116.67 125.33 1u6f s ASP 11 Ca 0.32 -0.58 -0.14 0.00 0.43 0.00 0.00 52.55 52.57 1u6f s ASP 11 Cb 0.04 -1.79 0.00 0.00 -0.30 0.00 0.00 42.92 40.87 1u6f s ASP 11 CO -0.19 -0.10 1.10 -2.16 -0.17 0.00 0.00 175.17 173.64 1u6f s PRO 12 N 1.47 2.81 -0.35 4.34 0.04 -1.26 -5.04 135.00 137.00 1u6f s PRO 12 Ca 0.04 1.33 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 1u6f s PRO 12 Cb -0.16 -1.96 0.19 0.00 0.04 0.00 0.00 34.50 32.61 1u6f s PRO 12 CO -0.01 -1.23 0.91 1.52 0.04 0.00 0.00 177.00 178.23 1u6f s TYR 13 N -2.44 -0.84 0.00 0.56 1.13 -1.26 -5.12 117.35 109.38 1u6f s TYR 13 Ca 0.66 0.14 0.00 0.00 -1.41 0.00 0.00 57.07 56.45 1u6f s TYR 13 Cb -0.19 0.15 0.00 0.00 -1.10 0.00 0.00 41.96 40.82 1u6f s TYR 13 CO 0.43 -0.56 0.00 0.41 -2.51 0.00 0.00 175.55 173.32 1u6f n GLY 14 N 3.98 0.97 2.57 5.49 0.00 -1.26 -5.05 105.19 111.89 1u6f n GLY 14 Ca 0.07 -1.16 -0.05 0.00 0.00 0.00 0.00 46.02 44.88 1u6f n GLY 14 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u6f n GLN 15 N 2.47 -4.68 0.00 1.61 1.13 -1.26 -5.03 117.38 111.62 1u6f n GLN 15 Ca 0.00 3.51 0.00 0.00 -1.94 0.00 0.00 57.00 58.57 1u6f n GLN 15 Cb 0.00 -5.05 0.00 0.00 0.11 0.00 0.00 30.24 25.30 1u6f n GLN 15 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1u6f n THR 16 N 1.72 0.00 -3.20 5.09 5.66 -1.26 -5.11 114.28 117.17 1u6f n THR 16 Ca -0.40 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.40 1u6f n THR 16 Cb 0.62 -0.69 0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1u6f n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u6f s ALA 17 N -1.80 4.63 0.04 1.79 0.00 -1.26 -5.12 121.76 120.05 1u6f s ALA 17 Ca 0.00 -1.94 -0.07 0.00 0.00 0.00 0.00 51.96 49.95 1u6f s ALA 17 Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 1u6f s ALA 17 CO 0.00 -0.72 0.31 -0.65 0.00 0.00 0.00 175.76 174.70 1u6f s GLN 18 N -4.56 3.62 0.37 0.00 -0.21 -1.26 -5.09 119.66 112.53 1u6f s GLN 18 Ca 0.56 -0.04 -0.13 0.00 0.02 0.00 0.00 55.36 55.78 1u6f s GLN 18 Cb -0.05 -3.03 -0.08 0.00 1.00 0.00 0.00 33.01 30.85 1u6f s GLN 18 CO 0.35 0.61 0.75 -1.17 -2.12 0.00 0.00 175.29 173.71 1u6f s LEU 19 N -1.93 3.94 0.04 2.90 0.20 -1.26 -5.07 118.68 117.49 1u6f s LEU 19 Ca 0.31 1.20 -0.14 0.00 0.69 0.00 0.00 54.13 56.19 1u6f s LEU 19 Cb -0.13 -4.05 -0.06 0.00 -0.43 0.00 0.00 46.19 41.52 1u6f s LEU 19 CO 0.18 -0.31 0.43 -1.58 -0.29 0.00 0.00 176.35 174.78 1u6f s GLN 20 N -3.45 3.91 -0.98 1.98 2.00 -1.26 -5.03 119.66 116.83 1u6f s GLN 20 Ca 0.53 0.40 -0.12 0.00 -2.00 0.00 0.00 55.36 54.16 1u6f s GLN 20 Cb -0.10 -3.15 0.24 0.00 0.80 0.00 0.00 33.01 30.80 1u6f s GLN 20 CO 0.25 0.64 0.98 -0.65 -0.50 0.00 0.00 175.29 176.00 1u6f s GLN 21 N -1.34 3.90 -0.16 1.67 -0.21 -1.26 -4.76 119.66 117.49 1u6f s GLN 21 Ca 0.27 -2.76 -0.11 0.00 0.02 0.00 0.00 55.36 52.79 1u6f s GLN 21 Cb -0.16 -4.55 -0.07 0.00 1.00 0.00 0.00 33.01 29.23 1u6f s GLN 21 CO 0.15 -1.32 -0.24 1.28 -2.12 0.00 0.00 175.29 173.04 1u6f n LEU 22 N 3.65 1.46 -2.43 2.90 4.77 -1.26 -5.01 117.00 121.08 1u6f n LEU 22 Ca 0.20 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 56.22 1u6f n LEU 22 Cb 0.43 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1u6f n LEU 22 CO 0.42 0.11 -0.26 0.00 -1.33 0.00 0.00 177.39 176.33 1u6f n GLN 23 N -3.96 -1.84 -2.05 3.23 6.02 -1.26 -4.87 117.38 112.65 1u6f n GLN 23 Ca -0.28 1.01 -0.32 0.00 -0.01 0.00 0.00 57.00 57.40 1u6f n GLN 23 Cb 0.62 -5.69 -0.04 0.00 1.02 0.00 0.00 30.24 26.15 1u6f n GLN 23 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1u6f s GLN 24 N -5.08 2.60 -1.12 -1.09 -2.07 -1.26 -4.89 119.66 106.75 1u6f s GLN 24 Ca 0.01 0.12 -0.08 0.00 -1.82 0.00 0.00 55.36 53.60 1u6f s GLN 24 Cb -0.01 -4.75 0.28 0.00 -1.09 0.00 0.00 33.01 27.44 1u6f s GLN 24 CO 0.02 -3.07 1.30 1.04 -1.32 0.00 0.00 175.29 173.26 1u6f n GLN 25 N 9.01 3.84 -0.76 9.60 6.02 -1.26 -4.78 117.38 139.05 1u6f n GLN 25 Ca 0.31 -4.40 0.05 0.00 -0.01 0.00 0.00 57.00 52.94 1u6f n GLN 25 Cb 0.49 -2.59 0.33 0.00 1.02 0.00 0.00 30.24 29.49 1u6f n GLN 25 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1u6f n GLN 26 N 2.51 4.16 -0.01 -1.09 -0.06 -1.26 -4.09 117.38 117.54 1u6f n GLN 26 Ca 0.26 -2.61 -0.01 0.00 -2.00 0.00 0.00 57.00 52.64 1u6f n GLN 26 Cb 0.37 -2.13 -0.02 0.00 -4.06 0.00 0.00 30.24 24.40 1u6f n GLN 26 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1u6f n GLN 27 N 0.46 3.03 -0.12 3.69 7.27 -1.26 -5.12 117.38 125.33 1u6f n GLN 27 Ca 0.24 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.33 1u6f n GLN 27 Cb 1.06 -1.07 -0.00 0.00 2.41 0.00 0.00 30.24 32.64 1u6f n GLN 27 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1u6f n GLN 28 N -2.17 -0.24 -2.03 3.69 10.64 -1.26 -4.53 117.38 121.48 1u6f n GLN 28 Ca -0.05 0.16 -0.10 0.00 -1.83 0.00 0.00 57.00 55.18 1u6f n GLN 28 Cb 0.58 -0.29 0.05 0.00 -0.86 0.00 0.00 30.24 29.73 1u6f n GLN 28 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1u6f n HIS 29 N -0.92 1.69 -3.28 2.61 -0.00 -1.26 -4.89 115.22 109.17 1u6f n HIS 29 Ca 0.00 -1.95 -0.25 0.00 0.46 0.00 0.00 57.72 55.98 1u6f n HIS 29 Cb 0.05 -0.28 -0.08 0.00 -0.12 0.00 0.00 29.99 29.57 1u6f n HIS 29 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1u6f n ILE 30 N -0.63 0.03 -1.47 3.57 -0.00 -1.26 -4.96 119.36 114.65 1u6f n ILE 30 Ca 0.26 -4.27 -0.32 0.00 -0.00 0.00 0.00 62.75 58.42 1u6f n ILE 30 Cb 0.90 -1.98 0.07 0.00 -0.00 0.00 0.00 39.64 38.63 1u6f n ILE 30 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1u6f s PRO 31 N -1.40 2.55 -0.54 0.38 0.04 -1.26 -4.86 135.00 129.91 1u6f s PRO 31 Ca 0.36 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 62.31 1u6f s PRO 31 Cb 0.15 -1.93 -0.26 0.00 0.04 0.00 0.00 34.50 32.49 1u6f s PRO 31 CO -0.10 -1.42 1.82 -2.30 0.04 0.00 0.00 177.00 175.04 1u6f n PRO 32 N -3.13 0.57 0.00 0.56 -0.02 -1.26 -2.67 135.00 129.05 1u6f n PRO 32 Ca 0.09 -1.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.05 1u6f n PRO 32 Cb 0.53 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 1u6f n PRO 32 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1u6f n THR 33 N 7.27 0.00 -2.99 3.45 5.66 -1.26 -5.05 114.28 121.36 1u6f n THR 33 Ca 0.46 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 61.02 1u6f n THR 33 Cb 0.43 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.21 1u6f n THR 33 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1u6f s GLN 34 N 0.00 4.04 -0.82 1.09 -0.21 -1.09 -4.96 119.66 117.70 1u6f s GLN 34 Ca 0.00 -2.54 -0.25 0.00 0.02 0.00 0.00 55.36 52.59 1u6f s GLN 34 Cb 0.00 -4.99 -0.05 0.00 1.00 0.00 0.00 33.01 28.97 1u6f s GLN 34 CO 0.00 -1.71 1.98 1.41 -2.12 0.00 0.00 175.29 174.84 1u6f s MET 35 N 1.43 2.48 0.17 2.91 -2.45 -1.26 -4.60 119.30 117.98 1u6f s MET 35 Ca 0.40 -0.00 -0.32 0.00 -1.25 0.00 0.00 55.69 54.52 1u6f s MET 35 Cb -0.04 -4.89 -0.12 0.00 1.25 0.00 0.00 34.83 31.04 1u6f s MET 35 CO -0.02 -3.33 1.77 0.09 1.05 0.00 0.00 175.02 174.58 1u6f n ASN 36 N 14.14 3.97 -4.55 1.11 4.13 -1.26 -4.81 115.26 127.99 1u6f n ASN 36 Ca 0.37 1.03 -0.13 0.00 1.68 0.00 0.00 54.58 57.52 1u6f n ASN 36 Cb 0.48 -1.55 -0.11 0.00 -1.54 0.00 0.00 39.78 37.06 1u6f n ASN 36 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1u6f n PRO 37 N 4.70 0.16 -2.48 3.52 -0.02 -1.26 -4.91 135.00 134.72 1u6f n PRO 37 Ca 0.17 -1.48 -0.37 0.00 -2.02 0.00 0.00 63.50 59.80 1u6f n PRO 37 Cb 0.36 -3.77 -0.04 0.00 -0.02 0.00 0.00 33.50 30.03 1u6f n PRO 37 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1u6f s GLU 38 N 8.48 4.19 0.00 -0.52 0.41 -1.26 -4.71 118.70 125.28 1u6f s GLU 38 Ca 0.81 1.62 0.24 0.00 -0.41 0.00 0.00 54.97 57.23 1u6f s GLU 38 Cb -0.07 -2.64 1.18 0.00 -1.78 0.00 0.00 34.13 30.82 1u6f s GLU 38 CO 0.17 -0.15 1.80 -0.35 -0.49 0.00 0.00 175.26 176.24 1u6f n PRO 39 N 0.10 0.25 0.17 0.39 -0.04 -1.26 -3.27 135.00 131.34 1u6f n PRO 39 Ca 0.04 0.06 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 1u6f n PRO 39 Cb 0.48 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.73 1u6f n PRO 39 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1u6f h ASP 40 N 0.00 0.00 0.00 3.54 3.58 -1.93 -3.33 116.42 118.28 1u6f h ASP 40 Ca 0.00 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.89 1u6f h ASP 40 Cb 0.28 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.35 1u6f h ASP 40 CO 0.00 0.47 3.24 1.33 -2.88 0.00 0.00 179.24 181.40 1u6f n VAL 41 N -3.88 3.39 0.00 2.25 0.24 -1.20 -4.35 118.33 114.77 1u6f n VAL 41 Ca -0.01 -2.13 -0.17 0.00 -2.04 0.00 0.00 64.34 59.98 1u6f n VAL 41 Cb 0.51 -2.42 -0.14 0.00 -1.47 0.00 0.00 33.84 30.32 1u6f n VAL 41 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1u6f h LEU 42 N 8.18 0.29 -0.82 1.34 3.38 -1.88 -3.34 115.31 122.46 1u6f h LEU 42 Ca 0.68 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1u6f h LEU 42 Cb 0.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1u6f h LEU 42 CO 1.68 1.57 0.00 -2.11 0.09 0.00 0.00 178.44 179.67 1u6f n ARG 43 N -3.35 0.10 -2.31 1.13 1.85 -1.26 -4.50 116.66 108.32 1u6f n ARG 43 Ca -0.26 0.54 -0.42 0.00 -1.00 0.00 0.00 57.85 56.71 1u6f n ARG 43 Cb 1.05 -1.79 -0.03 0.00 -1.05 0.00 0.00 32.46 30.65 1u6f n ARG 43 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1u6f s ASN 44 N -3.70 6.05 -0.19 2.89 2.47 -1.25 -1.61 114.94 119.59 1u6f s ASN 44 Ca -0.00 0.50 0.01 0.00 0.42 0.00 0.00 52.86 53.79 1u6f s ASN 44 Cb 0.05 -2.54 0.03 0.00 -1.45 0.00 0.00 41.25 37.34 1u6f s ASN 44 CO 0.18 -1.73 -0.18 -0.76 -3.72 0.00 0.00 177.10 170.88 1u6f s LEU 45 N 6.35 2.35 -0.37 3.21 1.43 -0.87 -3.37 118.68 127.41 1u6f s LEU 45 Ca 0.58 -0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 52.71 1u6f s LEU 45 Cb -0.13 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1u6f s LEU 45 CO 0.27 -0.03 0.63 -0.32 0.23 0.00 0.00 176.35 177.13 1u6f s MET 46 N 1.26 3.59 -0.17 1.70 1.75 0.52 -0.36 119.30 127.59 1u6f s MET 46 Ca 0.03 -0.06 -0.07 0.00 -1.25 0.00 0.00 55.69 54.34 1u6f s MET 46 Cb -0.14 -3.84 -0.04 0.00 2.84 0.00 0.00 34.83 33.65 1u6f s MET 46 CO -0.12 -0.79 0.08 0.14 -0.65 0.00 0.00 175.02 173.69 1u6f s VAL 47 N 2.71 5.00 -0.02 10.11 -7.23 0.03 -0.88 120.40 130.12 1u6f s VAL 47 Ca 0.24 0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 1u6f s VAL 47 Cb -0.14 -3.23 0.01 0.00 0.56 0.00 0.00 36.38 33.57 1u6f s VAL 47 CO 0.16 0.49 -0.05 0.21 -0.31 0.00 0.00 175.10 175.60 1u6f s ASN 48 N 0.03 0.80 0.38 4.85 3.04 0.18 0.88 114.94 125.10 1u6f s ASN 48 Ca 0.07 -0.11 0.00 0.00 0.04 0.00 0.00 52.86 52.86 1u6f s ASN 48 Cb -0.12 -0.25 0.00 0.00 -1.54 0.00 0.00 41.25 39.34 1u6f s ASN 48 CO 0.00 0.01 0.00 0.00 -3.04 0.00 0.00 177.10 174.07 1u6f n TYR 49 N 3.50 -4.22 -3.77 0.43 4.19 -1.26 -0.09 117.16 115.93 1u6f n TYR 49 Ca -0.20 1.29 -0.21 0.00 3.31 0.00 0.00 57.90 62.10 1u6f n TYR 49 Cb 0.54 3.27 -0.03 0.00 0.49 0.00 0.00 39.34 43.61 1u6f n TYR 49 CO 0.00 0.00 0.00 0.96 0.91 0.00 0.00 176.86 178.73 1u6f s ILE 50 N -2.00 3.83 0.00 2.97 -4.36 -1.26 -4.77 121.20 115.61 1u6f s ILE 50 Ca 0.00 -1.27 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 1u6f s ILE 50 Cb 0.00 -3.29 0.00 0.00 1.25 0.00 0.00 42.46 40.42 1u6f s ILE 50 CO 0.00 -0.20 0.00 -0.81 0.24 0.00 0.00 174.94 174.17 1u6f n PRO 51 N -1.42 0.00 0.00 0.37 -0.04 -1.26 -4.41 135.00 128.24 1u6f n PRO 51 Ca -0.02 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.57 1u6f n PRO 51 Cb 0.59 0.00 0.70 0.00 -0.04 0.00 0.00 33.50 34.75 1u6f n PRO 51 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1u6f n THR 52 N 0.00 0.09 0.06 0.52 5.66 -1.26 -3.17 114.28 116.17 1u6f n THR 52 Ca 0.00 0.02 0.07 0.00 -3.05 0.00 0.00 64.05 61.09 1u6f n THR 52 Cb 0.00 -0.56 0.25 0.00 -1.55 0.00 0.00 70.33 68.47 1u6f n THR 52 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1u6f n THR 53 N -1.30 1.25 -2.03 1.09 -1.04 -1.26 -4.38 114.28 106.61 1u6f n THR 53 Ca 0.13 -0.81 -0.42 0.00 -2.04 0.00 0.00 64.05 60.90 1u6f n THR 53 Cb 0.23 0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 68.74 1u6f n THR 53 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1u6f s VAL 54 N -1.73 3.49 -0.15 12.58 -7.23 -1.19 -4.90 120.40 121.27 1u6f s VAL 54 Ca 0.36 0.48 -0.00 0.00 -1.81 0.00 0.00 61.98 61.00 1u6f s VAL 54 Cb 0.23 -3.72 -0.01 0.00 0.56 0.00 0.00 36.38 33.44 1u6f s VAL 54 CO 0.18 -0.50 -0.14 -1.81 -0.31 0.00 0.00 175.10 172.52 1u6f s ASP 55 N 6.24 3.86 0.61 4.85 1.01 -1.26 -4.64 116.67 127.34 1u6f s ASP 55 Ca 0.77 -0.40 0.32 0.00 0.71 0.00 0.00 52.55 53.95 1u6f s ASP 55 Cb -0.20 -1.60 1.84 0.00 1.01 0.00 0.00 42.92 43.97 1u6f s ASP 55 CO 0.32 0.11 2.17 1.05 0.21 0.00 0.00 175.17 179.03 1u6f h GLU 56 N 7.09 0.00 0.27 8.23 4.11 -1.93 -2.43 114.58 129.93 1u6f h GLU 56 Ca -0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.12 1u6f h GLU 56 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1u6f h GLU 56 CO 0.56 0.00 -0.13 0.28 0.07 0.00 0.00 179.01 179.79 1u6f h VAL 57 N 0.00 0.55 -0.79 -1.06 2.07 -1.97 0.64 116.25 115.69 1u6f h VAL 57 Ca 0.04 -0.87 0.18 0.00 0.82 0.00 0.00 66.70 66.87 1u6f h VAL 57 Cb 0.31 0.89 -0.11 0.00 -1.52 0.00 0.00 31.29 30.86 1u6f h VAL 57 CO -0.00 0.13 0.24 -0.61 0.02 0.00 0.00 177.57 177.35 1u6f h GLN 58 N -0.94 0.30 0.00 1.57 4.15 -1.86 0.49 115.11 118.83 1u6f h GLN 58 Ca -0.04 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.23 1u6f h GLN 58 Cb 0.49 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 1u6f h GLN 58 CO 0.06 0.20 -0.63 1.37 -1.93 0.00 0.00 178.83 177.90 1u6f h LEU 59 N 0.31 0.00 0.33 -2.39 8.10 -1.54 -2.39 115.31 117.72 1u6f h LEU 59 Ca 0.46 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.45 1u6f h LEU 59 Cb 0.81 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.01 1u6f h LEU 59 CO -0.52 0.63 -0.28 -0.09 -4.11 0.00 0.00 178.44 174.07 1u6f h ARG 60 N 0.00 -0.60 -0.08 0.17 1.12 0.52 1.02 114.38 116.52 1u6f h ARG 60 Ca -0.01 0.04 -0.16 0.00 -1.11 0.00 0.00 59.98 58.74 1u6f h ARG 60 Cb 1.39 0.14 0.01 0.00 -0.01 0.00 0.00 29.97 31.50 1u6f h ARG 60 CO 0.08 -0.40 -0.58 1.96 -3.11 0.00 0.00 179.97 177.92 1u6f h GLN 61 N -0.63 0.54 -0.44 0.20 4.20 -1.30 0.15 115.11 117.83 1u6f h GLN 61 Ca -0.02 -0.47 -0.03 0.00 0.06 0.00 0.00 58.65 58.19 1u6f h GLN 61 Cb 0.56 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1u6f h GLN 61 CO -0.03 1.10 0.17 1.25 -0.67 0.00 0.00 178.83 180.65 1u6f h LEU 62 N 0.14 0.62 0.00 1.46 5.85 -1.36 -1.94 115.31 120.08 1u6f h LEU 62 Ca -0.05 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 1u6f h LEU 62 Cb 1.24 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1u6f h LEU 62 CO 0.12 0.62 -0.57 -0.26 -0.34 0.00 0.00 178.44 178.01 1u6f h PHE 63 N 0.58 0.00 -0.31 1.25 -1.00 0.10 -3.32 116.94 114.24 1u6f h PHE 63 Ca 0.15 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.02 1u6f h PHE 63 Cb 0.20 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1u6f h PHE 63 CO 0.00 1.21 0.37 1.05 -1.61 0.00 0.00 178.31 179.33 1u6f h GLU 64 N -1.00 0.00 -0.10 1.51 4.11 -0.72 -1.11 114.58 117.27 1u6f h GLU 64 Ca -0.16 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.31 1u6f h GLU 64 Cb 1.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1u6f h GLU 64 CO -0.10 0.00 -0.13 -0.09 0.07 0.00 0.00 179.01 178.76 1u6f h ARG 65 N 0.00 -0.17 -0.00 1.06 9.65 -1.44 -0.79 114.38 122.69 1u6f h ARG 65 Ca 0.15 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1u6f h ARG 65 Cb 0.89 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.51 1u6f h ARG 65 CO -0.00 -0.11 -0.10 0.66 2.80 0.00 0.00 179.97 183.22 1u6f n TYR 66 N -5.28 0.00 -3.08 2.20 4.01 -0.48 -4.71 117.16 109.83 1u6f n TYR 66 Ca -0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.75 1u6f n TYR 66 Cb 0.20 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 1u6f n TYR 66 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1u6f s GLY 67 N -2.82 -1.02 -0.25 2.72 0.00 -0.55 -4.59 107.32 100.82 1u6f s GLY 67 Ca 0.19 2.05 -0.42 0.00 0.00 0.00 0.00 44.72 46.54 1u6f s GLY 67 CO 0.53 4.18 1.53 -1.05 0.00 0.00 0.00 173.10 178.29 1u6f n PRO 68 N 4.82 0.60 -2.83 2.90 -0.02 -0.41 -3.97 135.00 136.08 1u6f n PRO 68 Ca 0.09 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 1u6f n PRO 68 Cb 0.59 -1.81 -0.07 0.00 -0.02 0.00 0.00 33.50 32.20 1u6f n PRO 68 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1u6f s ILE 69 N 2.32 4.31 -0.24 4.25 -4.36 -1.26 -1.95 121.20 124.27 1u6f s ILE 69 Ca 0.97 1.66 -0.10 0.00 -0.26 0.00 0.00 60.65 62.92 1u6f s ILE 69 Cb -1.22 -3.88 -0.11 0.00 1.25 0.00 0.00 42.46 38.50 1u6f s ILE 69 CO 0.67 0.02 -0.29 1.21 0.24 0.00 0.00 174.94 176.79 1u6f n GLU 70 N 0.25 0.51 -3.79 0.37 2.13 0.27 -4.75 120.64 115.63 1u6f n GLU 70 Ca 0.03 0.21 -0.29 0.00 0.66 0.00 0.00 57.16 57.76 1u6f n GLU 70 Cb 0.51 -1.36 -0.16 0.00 0.27 0.00 0.00 31.44 30.71 1u6f n GLU 70 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1u6f s SER 71 N -7.00 3.64 0.03 4.31 1.04 -1.02 -5.02 113.70 109.68 1u6f s SER 71 Ca -0.33 -1.28 0.04 0.00 0.48 0.00 0.00 55.95 54.86 1u6f s SER 71 Cb 0.12 -0.88 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 1u6f s SER 71 CO 0.43 -0.33 -0.06 0.54 0.98 0.00 0.00 173.24 174.80 1u6f s VAL 72 N 1.62 3.70 0.14 5.02 0.11 -1.26 -1.00 120.40 128.72 1u6f s VAL 72 Ca 0.03 -0.86 -0.15 0.00 -2.93 0.00 0.00 61.98 58.07 1u6f s VAL 72 Cb -0.18 -2.65 0.03 0.00 -1.53 0.00 0.00 36.38 32.05 1u6f s VAL 72 CO -0.14 0.32 0.39 -0.75 -3.33 0.00 0.00 175.10 171.59 1u6f s LYS 73 N -1.66 1.11 -0.12 1.54 2.20 -0.04 -4.99 119.74 117.78 1u6f s LYS 73 Ca 0.19 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 1u6f s LYS 73 Cb -0.11 0.46 0.01 0.00 -1.51 0.00 0.00 37.83 36.68 1u6f s LYS 73 CO 0.10 -0.44 -0.20 -1.50 -0.36 0.00 0.00 175.35 172.96 1u6f s ILE 74 N -3.84 1.86 -0.82 5.43 -1.16 -1.26 0.24 121.20 121.66 1u6f s ILE 74 Ca 0.06 -0.87 -0.25 0.00 -0.51 0.00 0.00 60.65 59.08 1u6f s ILE 74 Cb 0.02 -1.66 -0.00 0.00 0.61 0.00 0.00 42.46 41.43 1u6f s ILE 74 CO -0.09 0.51 1.67 -0.69 -2.81 0.00 0.00 174.94 173.53 1u6f s VAL 75 N 0.83 3.59 0.39 4.00 1.01 0.47 -4.91 120.40 125.78 1u6f s VAL 75 Ca -0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1u6f s VAL 75 Cb -0.16 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1u6f s VAL 75 CO -0.01 -1.36 0.66 0.00 0.00 0.00 0.00 175.10 174.39 1u6f s ASP 77 N -3.75 6.64 0.00 0.00 1.11 -0.24 -4.86 116.67 115.56 1u6f s ASP 77 Ca 0.45 2.31 0.17 0.00 0.18 0.00 0.00 52.55 55.66 1u6f s ASP 77 Cb -0.10 -2.54 0.75 0.00 1.07 0.00 0.00 42.92 42.10 1u6f s ASP 77 CO 0.37 -0.93 1.55 -1.14 1.18 0.00 0.00 175.17 176.21 1u6f n ARG 78 N 6.91 0.01 -0.03 8.23 0.63 -1.26 0.95 116.66 132.11 1u6f n ARG 78 Ca 0.17 0.20 -0.13 0.00 -0.92 0.00 0.00 57.85 57.17 1u6f n ARG 78 Cb 0.42 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.73 1u6f n ARG 78 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1u6f h GLU 79 N 0.00 -0.04 -0.07 -0.14 3.07 -1.96 -3.37 114.58 112.07 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1u6f h GLU 79 Cb 0.29 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1u6f h GLU 79 CO 0.00 0.63 0.00 0.25 -1.40 0.00 0.00 179.01 178.49 1u6f n THR 80 N -4.77 0.39 -2.65 1.13 -2.24 -1.20 -4.98 114.28 99.96 1u6f n THR 80 Ca -0.09 -0.70 -0.19 0.00 -2.27 0.00 0.00 64.05 60.81 1u6f n THR 80 Cb 0.34 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1u6f n THR 80 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u6f n ARG 81 N 0.18 -2.70 -4.06 -0.78 5.12 0.27 -4.97 116.66 109.73 1u6f n ARG 81 Ca 0.04 0.79 -0.22 0.00 -1.93 0.00 0.00 57.85 56.53 1u6f n ARG 81 Cb 0.21 -5.48 -0.04 0.00 -1.16 0.00 0.00 32.46 25.99 1u6f n ARG 81 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1u6f s GLN 82 N -5.28 2.88 -0.02 5.56 -0.21 -1.17 -4.86 119.66 116.56 1u6f s GLN 82 Ca 0.11 -1.11 -0.30 0.00 0.02 0.00 0.00 55.36 54.08 1u6f s GLN 82 Cb -0.05 -2.54 -0.07 0.00 1.00 0.00 0.00 33.01 31.35 1u6f s GLN 82 CO 0.13 0.34 1.76 -1.12 -2.12 0.00 0.00 175.29 174.28 1u6f s SER 83 N -3.87 6.59 0.00 5.90 0.01 -1.26 -1.08 113.70 119.98 1u6f s SER 83 Ca 0.34 2.40 0.00 0.00 1.31 0.00 0.00 55.95 60.00 1u6f s SER 83 Cb -0.07 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1u6f s SER 83 CO 0.25 -0.97 0.00 -1.14 0.41 0.00 0.00 173.24 171.79 1u6f n ARG 84 N 7.20 0.00 0.00 12.44 0.63 -1.26 -4.22 116.66 131.45 1u6f n ARG 84 Ca 0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1u6f n ARG 84 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 1u6f n ARG 84 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u6f n GLY 85 N 0.00 0.23 3.82 5.14 0.00 -1.24 -4.18 105.19 108.96 1u6f n GLY 85 Ca 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.65 1u6f n GLY 85 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u6f s TYR 86 N 0.00 -0.00 0.21 1.61 -0.85 -1.07 -4.76 117.35 112.49 1u6f s TYR 86 Ca 0.00 -0.26 0.02 0.00 -0.52 0.00 0.00 57.07 56.31 1u6f s TYR 86 Cb 0.00 0.63 0.02 0.00 0.38 0.00 0.00 41.96 42.99 1u6f s TYR 86 CO 0.00 -0.63 0.16 0.41 -1.52 0.00 0.00 175.55 173.97 1u6f n GLY 87 N -0.65 2.91 3.15 5.49 0.00 0.26 0.18 105.19 116.52 1u6f n GLY 87 Ca -0.03 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 1u6f n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u6f s PHE 88 N -1.03 -0.21 -0.16 1.61 5.36 0.67 -0.79 117.98 123.44 1u6f s PHE 88 Ca 0.12 0.47 -0.04 0.00 -0.96 0.00 0.00 56.93 56.52 1u6f s PHE 88 Cb -0.01 0.07 0.08 0.00 -0.34 0.00 0.00 43.02 42.82 1u6f s PHE 88 CO 0.08 -0.20 0.20 0.14 -1.46 0.00 0.00 175.22 173.98 1u6f s VAL 89 N -0.38 -0.30 -0.40 3.12 -7.23 0.51 -0.86 120.40 114.86 1u6f s VAL 89 Ca -0.05 0.04 -0.15 0.00 -1.81 0.00 0.00 61.98 60.01 1u6f s VAL 89 Cb -0.03 -0.55 0.01 0.00 0.56 0.00 0.00 36.38 36.37 1u6f s VAL 89 CO 0.01 -0.09 0.34 -0.75 -0.31 0.00 0.00 175.10 174.30 1u6f s LYS 90 N 2.32 3.12 0.60 4.82 2.20 -0.17 -2.04 119.74 130.57 1u6f s LYS 90 Ca 0.05 -0.85 -0.17 0.00 -0.36 0.00 0.00 55.97 54.64 1u6f s LYS 90 Cb -0.14 -3.94 -0.03 0.00 -1.51 0.00 0.00 37.83 32.20 1u6f s LYS 90 CO -0.10 -0.73 1.09 -0.06 -0.36 0.00 0.00 175.35 175.19 1u6f s PHE 91 N 1.84 2.80 0.14 4.03 0.40 -0.63 0.97 117.98 127.53 1u6f s PHE 91 Ca 0.08 1.54 -0.24 0.00 -0.60 0.00 0.00 56.93 57.71 1u6f s PHE 91 Cb -0.18 -3.12 0.00 0.00 0.51 0.00 0.00 43.02 40.23 1u6f s PHE 91 CO 0.11 -1.37 1.63 1.96 0.70 0.00 0.00 175.22 178.25 1u6f h GLN 92 N 0.55 -0.29 -6.58 0.44 4.20 -1.68 -3.42 115.11 108.34 1u6f h GLN 92 Ca -0.48 0.02 -0.69 0.00 0.06 0.00 0.00 58.65 57.57 1u6f h GLN 92 Cb 1.24 0.06 -0.29 0.00 0.30 0.00 0.00 27.48 28.79 1u6f h GLN 92 CO 0.56 -0.19 -0.88 -1.12 -0.67 0.00 0.00 178.83 176.53 1u6f s SER 93 N -4.99 3.01 0.59 1.46 0.01 -1.26 -4.98 113.70 107.53 1u6f s SER 93 Ca -0.15 -0.50 0.29 0.00 1.31 0.00 0.00 55.95 56.90 1u6f s SER 93 Cb 0.11 -0.31 1.48 0.00 0.21 0.00 0.00 66.02 67.50 1u6f s SER 93 CO 0.67 0.29 1.90 1.23 0.41 0.00 0.00 173.24 177.74 1u6f h GLY 94 N 5.27 0.00 2.00 3.44 0.00 -1.84 0.53 103.07 112.47 1u6f h GLY 94 Ca -0.44 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1u6f h GLY 94 CO 0.46 0.00 -0.09 0.23 0.00 0.00 0.00 176.54 177.14 1u6f h SER 95 N 0.00 0.00 0.95 0.19 0.87 -1.95 -1.84 113.55 111.77 1u6f h SER 95 Ca 0.22 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.57 1u6f h SER 95 Cb 1.19 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 1u6f h SER 95 CO -0.00 0.09 -0.99 0.28 -0.53 0.00 0.00 176.83 175.67 1u6f h SER 96 N 0.00 0.03 -0.88 6.23 0.02 -0.31 -3.28 113.55 115.35 1u6f h SER 96 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1u6f h SER 96 Cb 0.29 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 1u6f h SER 96 CO 0.01 1.00 0.56 0.00 -1.14 0.00 0.00 176.83 177.26 1u6f h ALA 97 N 1.00 1.12 -0.63 3.77 0.00 -1.34 -0.66 119.26 122.52 1u6f h ALA 97 Ca -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1u6f h ALA 97 Cb 1.74 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1u6f h ALA 97 CO 0.13 0.55 0.29 1.96 0.00 0.00 0.00 179.25 182.19 1u6f h GLN 98 N 1.20 0.51 0.00 0.00 4.20 -1.60 0.30 115.11 119.72 1u6f h GLN 98 Ca 0.32 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.91 1u6f h GLN 98 Cb -0.09 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1u6f h GLN 98 CO -0.06 0.34 -0.44 1.96 -0.67 0.00 0.00 178.83 179.96 1u6f h GLN 99 N 0.53 0.00 0.30 1.46 4.20 -1.56 -1.89 115.11 118.15 1u6f h GLN 99 Ca 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1u6f h GLN 99 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1u6f h GLN 99 CO -0.24 0.44 -0.14 0.00 -0.67 0.00 0.00 178.83 178.21 1u6f h ALA 100 N 1.56 -0.40 0.00 3.87 0.00 0.56 -1.84 119.26 123.01 1u6f h ALA 100 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1u6f h ALA 100 Cb 0.95 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1u6f h ALA 100 CO 0.06 -0.46 -0.04 0.82 0.00 0.00 0.00 179.25 179.63 1u6f h ILE 101 N -0.92 0.66 -0.08 0.00 2.04 -0.54 0.88 117.51 119.54 1u6f h ILE 101 Ca -0.04 -0.14 -0.20 0.00 1.00 0.00 0.00 64.86 65.48 1u6f h ILE 101 Cb 0.51 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1u6f h ILE 101 CO 0.07 0.04 -0.73 0.00 0.00 0.00 0.00 178.15 177.52 1u6f h ALA 102 N 1.96 0.20 -0.26 1.87 0.00 -1.29 -2.55 119.26 119.19 1u6f h ALA 102 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1u6f h ALA 102 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u6f h ALA 102 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1u6f n GLY 103 N 0.84 3.29 0.00 0.00 0.00 -0.70 -4.70 105.19 103.93 1u6f n GLY 103 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1u6f n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u6f n LEU 104 N -0.02 0.51 -4.68 0.99 4.77 0.30 -4.85 117.00 114.03 1u6f n LEU 104 Ca 0.13 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.65 1u6f n LEU 104 Cb 0.55 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1u6f n LEU 104 CO 0.09 0.08 1.50 -3.20 -1.33 0.00 0.00 177.39 174.53 1u6f n ASN 105 N -1.51 3.65 -0.92 -1.43 5.15 -0.96 -0.34 115.26 118.90 1u6f n ASN 105 Ca 0.00 0.96 -0.12 0.00 -0.60 0.00 0.00 54.58 54.82 1u6f n ASN 105 Cb 0.11 -1.43 -0.05 0.00 -0.53 0.00 0.00 39.78 37.88 1u6f n ASN 105 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u6f n GLY 106 N 4.36 1.21 3.49 8.20 0.00 0.23 -4.82 105.19 117.86 1u6f n GLY 106 Ca 0.21 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1u6f n GLY 106 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u6f n PHE 107 N -2.38 0.58 -2.05 1.61 7.35 0.54 -4.52 117.46 118.59 1u6f n PHE 107 Ca -0.12 -0.02 -0.27 0.00 -0.76 0.00 0.00 57.45 56.27 1u6f n PHE 107 Cb 0.53 -1.59 -0.05 0.00 0.35 0.00 0.00 39.48 38.72 1u6f n PHE 107 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1u6f s ASN 108 N 5.40 5.15 0.48 -2.13 2.20 -1.26 -0.82 114.94 123.96 1u6f s ASN 108 Ca 0.99 -0.61 -0.04 0.00 -0.94 0.00 0.00 52.86 52.26 1u6f s ASN 108 Cb -0.40 -2.56 -0.02 0.00 -2.00 0.00 0.00 41.25 36.27 1u6f s ASN 108 CO 0.28 -2.72 0.76 -0.51 -2.94 0.00 0.00 177.10 171.97 1u6f s ILE 109 N 10.00 4.64 0.55 0.54 2.07 0.21 -4.96 121.20 134.24 1u6f s ILE 109 Ca 0.70 -0.00 0.31 0.00 -1.41 0.00 0.00 60.65 60.24 1u6f s ILE 109 Cb -0.07 -3.76 0.46 0.00 0.13 0.00 0.00 42.46 39.22 1u6f s ILE 109 CO 0.01 -0.69 1.89 0.25 -1.91 0.00 0.00 174.94 174.48 1u6f h LEU 110 N 0.25 0.00 0.00 8.50 7.12 -2.04 -2.94 115.31 126.20 1u6f h LEU 110 Ca -0.47 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.35 1u6f h LEU 110 Cb 1.22 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.32 1u6f h LEU 110 CO 0.61 0.00 -1.22 -3.20 -0.13 0.00 0.00 178.44 174.50 1u6f n ASN 111 N -4.16 1.86 -0.79 1.25 2.85 -1.26 -5.07 115.26 109.94 1u6f n ASN 111 Ca 0.16 0.46 0.00 0.00 -0.11 0.00 0.00 54.58 55.10 1u6f n ASN 111 Cb 0.90 -0.91 0.00 0.00 1.24 0.00 0.00 39.78 41.01 1u6f n ASN 111 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1u6f n LYS 112 N -4.46 0.00 -3.97 1.20 4.76 -1.11 -5.15 118.16 109.43 1u6f n LYS 112 Ca -0.28 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 54.87 1u6f n LYS 112 Cb 0.59 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.62 1u6f n LYS 112 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1u6f s ARG 113 N -1.37 1.88 -0.82 1.97 3.52 -1.26 0.63 118.95 123.51 1u6f s ARG 113 Ca 0.00 -0.72 -0.25 0.00 -0.13 0.00 0.00 55.73 54.62 1u6f s ARG 113 Cb 0.00 -2.27 -0.06 0.00 -1.56 0.00 0.00 34.95 31.06 1u6f s ARG 113 CO 0.00 -0.41 2.02 -0.51 -0.81 0.00 0.00 175.30 175.59 1u6f s LEU 114 N 1.47 3.15 -0.24 -0.88 2.01 -0.00 -4.50 118.68 119.69 1u6f s LEU 114 Ca -0.00 -0.31 -0.25 0.00 0.01 0.00 0.00 54.13 53.57 1u6f s LEU 114 Cb -0.16 -2.55 -0.00 0.00 0.01 0.00 0.00 46.19 43.49 1u6f s LEU 114 CO -0.08 -2.86 0.87 -0.75 1.01 0.00 0.00 176.35 174.53 1u6f s LYS 115 N 7.36 4.20 -0.10 1.70 2.20 0.87 0.74 119.74 136.70 1u6f s LYS 115 Ca 0.74 1.02 0.01 0.00 -0.36 0.00 0.00 55.97 57.38 1u6f s LYS 115 Cb -0.09 -3.64 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1u6f s LYS 115 CO 0.05 -0.54 -0.10 0.08 -0.36 0.00 0.00 175.35 174.48 1u6f s VAL 116 N 2.91 1.14 -0.02 4.02 1.01 -1.26 0.50 120.40 128.71 1u6f s VAL 116 Ca 0.37 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1u6f s VAL 116 Cb -0.15 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1u6f s VAL 116 CO 0.07 0.38 -0.00 0.00 0.00 0.00 0.00 175.10 175.54 1u6f s ALA 117 N 1.29 0.21 -0.00 5.51 0.00 -0.06 -4.68 121.76 124.04 1u6f s ALA 117 Ca -0.02 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 1u6f s ALA 117 Cb -0.14 -0.20 -0.08 0.00 0.00 0.00 0.00 23.12 22.70 1u6f s ALA 117 CO -0.04 -0.04 1.87 -0.51 0.00 0.00 0.00 175.76 177.05 1u6f s LEU 118 N 0.64 4.36 0.55 0.00 2.01 -1.25 -0.35 118.68 124.63 1u6f s LEU 118 Ca -0.06 2.50 0.34 0.00 0.01 0.00 0.00 54.13 56.91 1u6f s LEU 118 Cb -0.09 -3.53 1.50 0.00 0.01 0.00 0.00 46.19 44.08 1u6f s LEU 118 CO -0.01 -1.05 1.84 0.00 1.01 0.00 0.00 176.35 178.14 1u6f h ALA 119 N 10.41 2.91 0.00 4.21 0.00 -1.89 -3.23 119.26 131.67 1u6f h ALA 119 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1u6f h ALA 119 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1u6f h ALA 119 CO 0.95 -1.24 -0.41 0.00 0.00 0.00 0.00 179.25 178.54 1u6f n ALA 120 N -2.69 1.57 0.00 0.00 0.00 -1.26 -4.98 120.51 113.15 1u6f n ALA 120 Ca 0.21 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1u6f n ALA 120 Cb 1.07 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.61 1u6f n ALA 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u6f n SER 121 N -3.58 0.00 0.00 0.00 2.88 -1.22 -3.56 113.62 108.14 1u6f n SER 121 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1u6f n SER 121 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1u6f n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u6f n GLY 122 N 0.00 0.32 1.90 0.46 0.00 -1.26 -4.72 105.19 101.88 1u6f n GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u6f n GLY 122 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1u6f n HIS 123 N 0.00 -4.04 -0.04 1.61 8.25 -1.23 -4.83 115.22 114.93 1u6f n HIS 123 Ca 0.00 2.42 -0.11 0.00 -0.26 0.00 0.00 57.72 59.78 1u6f n HIS 123 Cb 0.00 -3.44 -0.14 0.00 1.12 0.00 0.00 29.99 27.53 1u6f n HIS 123 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1u6f n GLN 124 N 1.54 0.66 -1.54 -0.41 -0.06 -1.26 -4.95 117.38 111.36 1u6f n GLN 124 Ca 0.00 0.21 -0.33 0.00 -2.00 0.00 0.00 57.00 54.88 1u6f n GLN 124 Cb 0.00 -1.71 0.08 0.00 -4.06 0.00 0.00 30.24 24.55 1u6f n GLN 124 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1u6f s ARG 125 N -2.56 2.39 0.17 3.69 0.52 -1.26 -4.95 118.95 116.95 1u6f s ARG 125 Ca -0.09 1.57 -0.07 0.00 -0.52 0.00 0.00 55.73 56.62 1u6f s ARG 125 Cb 0.07 -1.88 0.06 0.00 0.52 0.00 0.00 34.95 33.72 1u6f s ARG 125 CO 0.81 -1.60 1.51 -1.00 0.02 0.00 0.00 175.30 175.04 1u6f h PRO 126 N -0.24 0.75 -1.51 3.54 0.13 -2.02 -3.49 132.00 129.17 1u6f h PRO 126 Ca -0.47 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 1u6f h PRO 126 Cb 1.27 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1u6f h PRO 126 CO 0.51 1.04 0.00 0.41 -0.23 0.00 0.00 178.00 179.73 1u6f n GLY 127 N 0.13 0.03 1.83 1.56 0.00 -1.26 -4.98 105.19 102.51 1u6f n GLY 127 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1u6f n GLY 127 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u6f n ILE 128 N -0.28-11.79 0.00 -0.61 5.41 -1.26 -5.05 119.36 105.78 1u6f n ILE 128 Ca 0.00 2.89 0.00 0.00 1.00 0.00 0.00 62.75 66.64 1u6f n ILE 128 Cb 0.03 -5.02 0.00 0.00 -0.71 0.00 0.00 39.64 33.94 1u6f n ILE 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u6f n ALA 129 N 1.60 0.12 0.00 -1.39 0.00 -1.26 -5.15 120.51 114.43 1u6f n ALA 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u6f n ALA 129 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1u6f n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6f n GLY 130 N -1.36 2.63 0.27 0.00 0.00 -1.26 -4.99 105.19 100.49 1u6f n GLY 130 Ca 0.00 0.22 0.19 0.00 0.00 0.00 0.00 46.02 46.43 1u6f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6f h ALA 131 N 0.00 1.00 -1.51 4.61 0.00 -2.02 -3.46 119.26 117.89 1u6f h ALA 131 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1u6f h ALA 131 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1u6f h ALA 131 CO 0.00 0.00 -0.32 0.28 0.00 0.00 0.00 179.25 179.21 1u6f n VAL 132 N -2.83 -0.43 0.00 0.00 0.31 -1.26 -2.82 118.33 111.30 1u6f n VAL 132 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1u6f n VAL 132 Cb 0.11 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 1u6f n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u6f n GLY 133 N -1.11 2.40 3.02 2.92 0.00 -1.26 -4.57 105.19 106.58 1u6f n GLY 133 Ca -0.15 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1u6f n GLY 133 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u6f n ASP 134 N 1.39 -6.53 0.00 1.61 -0.08 -1.13 -4.65 116.55 107.17 1u6f n ASP 134 Ca 0.00 -0.45 0.00 0.00 -1.51 0.00 0.00 54.79 52.83 1u6f n ASP 134 Cb 0.00 -4.79 0.00 0.00 2.34 0.00 0.00 41.12 38.67 1u6f n ASP 134 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u6f n GLY 135 N -1.40 0.56 2.57 0.27 0.00 -1.26 -5.01 105.19 100.91 1u6f n GLY 135 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 1u6f n GLY 135 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u6f n ASN 136 N 0.00 -6.67 0.00 1.61 5.15 -1.26 -5.01 115.26 109.08 1u6f n ASN 136 Ca 0.00 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 1u6f n ASN 136 Cb 0.00 -4.45 0.00 0.00 -0.53 0.00 0.00 39.78 34.80 1u6f n ASN 136 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u6f n GLY 137 N -0.40 -0.49 1.38 8.20 0.00 -1.26 -5.07 105.19 107.55 1u6f n GLY 137 Ca 0.09 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1u6f n GLY 137 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1u6f n TYR 138 N 0.00 -0.02 1.49 1.61 4.19 -1.26 -5.16 117.16 118.01 1u6f n TYR 138 Ca 0.00 0.00 0.14 0.00 3.31 0.00 0.00 57.90 61.35 1u6f n TYR 138 Cb 0.00 0.19 0.52 0.00 0.49 0.00 0.00 39.34 40.54 1u6f n TYR 138 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05