#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6t s ILE 2 N 0.00 4.85 -0.26 1.34 -1.09 -0.24 -0.99 121.20 124.81 1u6t s ILE 2 Ca 0.00 1.63 -0.11 0.00 -2.23 0.00 0.00 60.65 59.94 1u6t s ILE 2 Cb 0.00 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1u6t s ILE 2 CO 0.00 -0.03 0.18 -0.13 -1.23 0.00 0.00 174.94 173.73 1u6t s ARG 3 N 2.49 4.01 -0.31 2.79 0.52 0.14 -1.01 118.95 127.58 1u6t s ARG 3 Ca 0.37 -0.29 -0.05 0.00 -0.52 0.00 0.00 55.73 55.24 1u6t s ARG 3 Cb -0.16 -3.60 0.03 0.00 0.52 0.00 0.00 34.95 31.74 1u6t s ARG 3 CO 0.10 -0.07 0.06 0.08 0.02 0.00 0.00 175.30 175.49 1u6t s VAL 4 N 1.43 3.59 -0.22 3.52 1.01 -0.23 -0.90 120.40 128.61 1u6t s VAL 4 Ca 0.07 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 1u6t s VAL 4 Cb -0.15 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1u6t s VAL 4 CO 0.08 -0.07 0.86 -0.31 0.00 0.00 0.00 175.10 175.66 1u6t s TYR 5 N 1.39 3.34 0.31 5.22 1.51 -0.29 -0.68 117.35 128.15 1u6t s TYR 5 Ca -0.01 1.21 0.04 0.00 -1.01 0.00 0.00 57.07 57.30 1u6t s TYR 5 Cb -0.19 -3.07 -0.06 0.00 -0.11 0.00 0.00 41.96 38.53 1u6t s TYR 5 CO 0.01 -0.37 0.04 0.96 -1.11 0.00 0.00 175.55 175.09 1u6t s ILE 6 N 2.70 1.22 -0.30 2.71 -4.36 -0.46 -2.09 121.20 120.62 1u6t s ILE 6 Ca 0.37 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 1u6t s ILE 6 Cb -0.16 -2.72 0.09 0.00 1.25 0.00 0.00 42.46 40.93 1u6t s ILE 6 CO 0.08 -0.06 0.04 0.00 0.24 0.00 0.00 174.94 175.25 1u6t s ALA 7 N -3.28 2.10 0.45 2.27 0.00 -1.26 -0.31 121.76 121.72 1u6t s ALA 7 Ca 0.35 -1.88 0.11 0.00 0.00 0.00 0.00 51.96 50.55 1u6t s ALA 7 Cb 0.08 -1.69 1.00 0.00 0.00 0.00 0.00 23.12 22.51 1u6t s ALA 7 CO 0.15 -1.55 2.05 0.66 0.00 0.00 0.00 175.76 177.07 1u6t h SER 8 N 7.89 0.21 -0.72 0.00 4.64 -1.95 -2.57 113.55 121.06 1u6t h SER 8 Ca -0.11 -0.02 -0.37 0.00 -0.47 0.00 0.00 61.79 60.82 1u6t h SER 8 Cb 1.03 -0.05 -0.22 0.00 -0.31 0.00 0.00 62.40 62.85 1u6t h SER 8 CO 0.47 0.22 0.33 -1.54 -0.87 0.00 0.00 176.83 175.44 1u6t n SER 9 N -4.44 3.25 -4.58 4.97 3.41 -1.26 -5.02 113.62 109.95 1u6t n SER 9 Ca -0.00 -3.67 -0.41 0.00 -0.26 0.00 0.00 58.87 54.52 1u6t n SER 9 Cb 0.13 -0.75 0.01 0.00 -0.26 0.00 0.00 64.21 63.34 1u6t n SER 9 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1u6t n SER 10 N -1.10 0.82 0.00 4.04 2.88 -0.97 -4.85 113.62 114.45 1u6t n SER 10 Ca 0.48 1.00 0.15 0.00 -1.33 0.00 0.00 58.87 59.17 1u6t n SER 10 Cb 1.40 -1.31 0.88 0.00 -0.75 0.00 0.00 64.21 64.43 1u6t n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u6t n GLY 11 N 1.31 -0.98 3.23 0.46 0.00 -1.26 -4.77 105.19 103.18 1u6t n GLY 11 Ca 0.10 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1u6t n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u6t s SER 12 N -1.94 3.15 0.36 1.61 0.15 -1.26 -5.00 113.70 110.77 1u6t s SER 12 Ca 0.44 -0.55 0.10 0.00 0.70 0.00 0.00 55.95 56.65 1u6t s SER 12 Cb 0.20 -1.42 0.69 0.00 -1.71 0.00 0.00 66.02 63.78 1u6t s SER 12 CO 0.34 0.16 1.83 0.74 1.20 0.00 0.00 173.24 177.51 1u6t h THR 13 N 5.69 1.24 -0.64 6.45 2.02 -2.00 -2.70 112.91 122.97 1u6t h THR 13 Ca -0.20 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 1u6t h THR 13 Cb 1.24 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 1u6t h THR 13 CO 0.48 0.34 0.37 0.00 0.37 0.00 0.00 175.52 177.07 1u6t h ALA 14 N 1.58 0.82 -0.22 6.16 0.00 -1.98 -1.26 119.26 124.34 1u6t h ALA 14 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1u6t h ALA 14 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1u6t h ALA 14 CO 0.04 0.31 0.07 0.82 0.00 0.00 0.00 179.25 180.50 1u6t h ILE 15 N 0.87 1.19 -0.58 0.00 1.08 -1.84 -0.63 117.51 117.60 1u6t h ILE 15 Ca 0.23 -0.59 0.09 0.00 -0.39 0.00 0.00 64.86 64.19 1u6t h ILE 15 Cb 0.01 1.16 -0.07 0.00 -3.07 0.00 0.00 36.82 34.85 1u6t h ILE 15 CO -0.04 0.19 0.21 0.50 -0.69 0.00 0.00 178.15 178.32 1u6t h LYS 16 N 0.20 0.37 -0.52 2.37 3.11 -1.19 0.16 116.57 121.08 1u6t h LYS 16 Ca 0.07 -0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 57.78 1u6t h LYS 16 Cb 0.23 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.36 1u6t h LYS 16 CO -0.00 0.25 -0.11 0.87 -2.81 0.00 0.00 179.45 177.65 1u6t h LYS 17 N 0.38 0.96 -0.69 1.90 1.57 -1.03 -1.81 116.57 117.86 1u6t h LYS 17 Ca 0.29 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1u6t h LYS 17 Cb 0.35 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1u6t h LYS 17 CO -0.29 1.01 0.21 0.87 -0.57 0.00 0.00 179.45 180.68 1u6t h LYS 18 N 0.86 1.07 -0.24 3.15 1.57 -0.16 -0.86 116.57 121.97 1u6t h LYS 18 Ca 0.14 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1u6t h LYS 18 Cb 0.65 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1u6t h LYS 18 CO 0.05 0.91 0.03 1.96 -0.57 0.00 0.00 179.45 181.83 1u6t h GLN 19 N 1.03 0.40 -0.30 3.15 4.20 -0.79 -2.41 115.11 120.39 1u6t h GLN 19 Ca 0.22 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1u6t h GLN 19 Cb 0.30 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1u6t h GLN 19 CO -0.01 0.54 0.06 1.96 -0.67 0.00 0.00 178.83 180.71 1u6t h GLN 20 N 0.19 0.43 0.15 1.46 1.08 -1.12 -1.02 115.11 116.27 1u6t h GLN 20 Ca 0.07 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1u6t h GLN 20 Cb 0.34 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1u6t h GLN 20 CO 0.01 0.41 -0.07 0.22 -0.95 0.00 0.00 178.83 178.45 1u6t h ASP 21 N 0.42 -0.17 0.10 1.46 -0.00 -0.85 0.76 116.42 118.14 1u6t h ASP 21 Ca 0.10 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.11 1u6t h ASP 21 Cb 0.19 0.04 0.00 0.00 -0.00 0.00 0.00 39.33 39.56 1u6t h ASP 21 CO -0.00 -0.10 -0.05 0.58 -0.00 0.00 0.00 179.24 179.67 1u6t h VAL 22 N -0.22 0.99 -0.79 2.25 2.07 -1.02 -1.85 116.25 117.68 1u6t h VAL 22 Ca -0.02 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1u6t h VAL 22 Cb 0.17 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1u6t h VAL 22 CO 0.03 0.09 0.49 -0.07 0.02 0.00 0.00 177.57 178.13 1u6t h LEU 23 N -0.29 0.78 -0.76 2.57 3.38 -1.15 -2.06 115.31 117.77 1u6t h LEU 23 Ca -0.01 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1u6t h LEU 23 Cb 0.24 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1u6t h LEU 23 CO 0.02 0.51 0.22 1.23 0.09 0.00 0.00 178.44 180.52 1u6t h GLY 24 N 0.91 1.24 0.94 0.83 0.00 -0.75 -2.23 103.07 104.03 1u6t h GLY 24 Ca 0.34 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1u6t h GLY 24 CO -0.15 0.69 0.16 -2.75 0.00 0.00 0.00 176.54 174.49 1u6t h PHE 25 N 1.11 0.50 -0.50 5.60 3.57 -0.71 -0.31 116.94 126.20 1u6t h PHE 25 Ca 0.24 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1u6t h PHE 25 Cb 0.32 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1u6t h PHE 25 CO 0.03 0.43 0.30 -0.07 -2.23 0.00 0.00 178.31 176.77 1u6t h LEU 26 N 0.42 0.60 -0.02 0.59 3.38 -1.28 -1.16 115.31 117.84 1u6t h LEU 26 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1u6t h LEU 26 Cb 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1u6t h LEU 26 CO -0.01 0.48 0.01 -0.08 0.09 0.00 0.00 178.44 178.92 1u6t h GLU 27 N 0.66 0.02 -0.93 1.13 4.57 -1.22 0.09 114.58 118.90 1u6t h GLU 27 Ca 0.18 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.42 1u6t h GLU 27 Cb -0.01 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.51 1u6t h GLU 27 CO -0.03 0.04 0.59 0.00 -1.18 0.00 0.00 179.01 178.43 1u6t h ALA 28 N 0.98 1.29 -0.40 2.92 0.00 -0.78 -1.76 119.26 121.51 1u6t h ALA 28 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u6t h ALA 28 Cb 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1u6t h ALA 28 CO -0.00 0.37 0.00 0.09 0.00 0.00 0.00 179.25 179.71 1u6t n ASN 29 N -4.55 2.13 -3.91 0.00 3.02 -0.46 -4.92 115.26 106.56 1u6t n ASN 29 Ca 0.14 -2.00 -0.28 0.00 -0.03 0.00 0.00 54.58 52.40 1u6t n ASN 29 Cb 0.17 -0.27 0.01 0.00 -0.61 0.00 0.00 39.78 39.09 1u6t n ASN 29 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1u6t n LYS 30 N 0.66 -4.74 -3.41 3.52 5.02 -0.66 -4.95 118.16 113.59 1u6t n LYS 30 Ca 0.13 0.55 -0.38 0.00 -2.02 0.00 0.00 58.31 56.59 1u6t n LYS 30 Cb 0.34 -5.22 -0.08 0.00 -0.02 0.00 0.00 35.03 30.05 1u6t n LYS 30 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1u6t s ILE 31 N -3.49 5.22 0.10 -0.18 1.01 -0.07 -5.02 121.20 118.77 1u6t s ILE 31 Ca 0.41 0.67 -0.31 0.00 0.00 0.00 0.00 60.65 61.41 1u6t s ILE 31 Cb -0.21 -3.71 -0.11 0.00 0.01 0.00 0.00 42.46 38.45 1u6t s ILE 31 CO 0.85 0.27 1.86 0.61 0.00 0.00 0.00 174.94 178.52 1u6t n GLY 32 N 3.90 1.68 3.51 6.18 0.00 -1.26 -4.58 105.19 114.61 1u6t n GLY 32 Ca -0.09 0.74 -0.09 0.00 0.00 0.00 0.00 46.02 46.58 1u6t n GLY 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u6t s PHE 33 N 3.04 0.28 -0.13 1.61 -0.12 -1.26 -1.08 117.98 120.32 1u6t s PHE 33 Ca 0.84 -0.64 -0.14 0.00 -0.05 0.00 0.00 56.93 56.94 1u6t s PHE 33 Cb -0.49 0.17 0.04 0.00 -0.63 0.00 0.00 43.02 42.10 1u6t s PHE 33 CO 0.39 -0.91 0.39 -1.83 -0.05 0.00 0.00 175.22 173.21 1u6t s GLU 34 N -3.98 0.49 0.16 1.99 -1.05 -0.18 -4.88 118.70 111.26 1u6t s GLU 34 Ca 0.19 0.46 -0.12 0.00 -0.15 0.00 0.00 54.97 55.35 1u6t s GLU 34 Cb 0.00 0.24 -0.07 0.00 -0.44 0.00 0.00 34.13 33.86 1u6t s GLU 34 CO 0.05 -0.07 0.51 -1.83 0.95 0.00 0.00 175.26 174.86 1u6t s GLU 35 N 0.01 3.86 -0.27 -4.83 -1.05 -1.26 -1.07 118.70 114.10 1u6t s GLU 35 Ca -0.02 0.33 0.01 0.00 -0.15 0.00 0.00 54.97 55.15 1u6t s GLU 35 Cb -0.03 -2.85 0.08 0.00 -0.44 0.00 0.00 34.13 30.89 1u6t s GLU 35 CO 0.01 0.44 0.01 0.15 0.95 0.00 0.00 175.26 176.83 1u6t s LYS 36 N -2.25 1.30 -0.11 -4.83 -0.14 0.14 -4.87 119.74 108.98 1u6t s LYS 36 Ca 0.40 -1.16 -0.27 0.00 -1.36 0.00 0.00 55.97 53.58 1u6t s LYS 36 Cb -0.13 -2.53 -0.02 0.00 -1.68 0.00 0.00 37.83 33.46 1u6t s LYS 36 CO 0.20 -0.77 0.90 0.34 -0.76 0.00 0.00 175.35 175.26 1u6t s ASP 37 N 1.38 7.11 0.00 2.83 -1.08 -1.26 -1.35 116.67 124.30 1u6t s ASP 37 Ca 0.02 1.36 0.21 0.00 -0.52 0.00 0.00 52.55 53.62 1u6t s ASP 37 Cb -0.18 -2.50 -0.19 0.00 -1.46 0.00 0.00 42.92 38.58 1u6t s ASP 37 CO -0.11 -0.36 0.93 2.30 0.52 0.00 0.00 175.17 178.44 1u6t n ILE 38 N 4.45 0.00 -0.24 4.11 -5.35 0.57 -4.22 119.36 118.68 1u6t n ILE 38 Ca 0.05 -0.04 -0.01 0.00 -0.27 0.00 0.00 62.75 62.48 1u6t n ILE 38 Cb 0.49 1.04 0.10 0.00 -1.74 0.00 0.00 39.64 39.54 1u6t n ILE 38 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u6t h ALA 39 N 3.14 0.93 -0.20 -1.28 0.00 -1.91 -3.27 119.26 116.66 1u6t h ALA 39 Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1u6t h ALA 39 Cb 0.54 -0.15 -0.29 0.00 0.00 0.00 0.00 17.79 17.89 1u6t h ALA 39 CO 0.00 0.09 -0.88 0.00 0.00 0.00 0.00 179.25 178.46 1u6t n ALA 40 N -2.35 3.15 -3.55 0.00 0.00 -1.26 -4.96 120.51 111.55 1u6t n ALA 40 Ca 0.09 -2.91 -0.23 0.00 0.00 0.00 0.00 53.44 50.39 1u6t n ALA 40 Cb 0.16 -0.60 -0.15 0.00 0.00 0.00 0.00 19.45 18.86 1u6t n ALA 40 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1u6t s ASN 41 N -2.95 2.02 0.23 0.00 3.84 -1.23 -5.04 114.94 111.82 1u6t s ASN 41 Ca 0.36 -0.52 -0.07 0.00 0.21 0.00 0.00 52.86 52.84 1u6t s ASN 41 Cb 0.37 0.04 0.21 0.00 -0.55 0.00 0.00 41.25 41.32 1u6t s ASN 41 CO -0.08 -0.35 1.85 -0.08 -2.79 0.00 0.00 177.10 175.65 1u6t h GLU 42 N 8.37 1.26 0.15 0.43 4.81 -1.92 -1.00 114.58 126.68 1u6t h GLU 42 Ca -0.16 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1u6t h GLU 42 Cb 1.14 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1u6t h GLU 42 CO 0.30 0.93 -0.07 1.49 -0.73 0.00 0.00 179.01 180.93 1u6t h GLU 43 N 1.26 -0.19 -0.50 1.92 4.81 -1.96 0.12 114.58 120.04 1u6t h GLU 43 Ca 0.31 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.59 1u6t h GLU 43 Cb 0.04 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1u6t h GLU 43 CO -0.05 -0.10 0.28 -0.91 -0.73 0.00 0.00 179.01 177.50 1u6t h ASN 44 N -0.23 0.44 0.07 1.04 -0.26 -1.81 0.79 115.58 115.62 1u6t h ASN 44 Ca -0.02 0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1u6t h ASN 44 Cb 0.18 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1u6t h ASN 44 CO 0.03 0.31 -0.03 -0.09 -1.06 0.00 0.00 177.43 176.59 1u6t h ARG 45 N 0.56 -0.09 -0.33 0.81 2.43 -0.94 -1.44 114.38 115.38 1u6t h ARG 45 Ca 0.21 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1u6t h ARG 45 Cb 0.06 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1u6t h ARG 45 CO -0.11 0.06 0.14 0.87 -1.51 0.00 0.00 179.97 179.42 1u6t h LYS 46 N -0.22 0.48 -0.28 0.20 1.79 -0.64 -2.25 116.57 115.64 1u6t h LYS 46 Ca -0.01 -0.08 0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1u6t h LYS 46 Cb 0.19 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.71 1u6t h LYS 46 CO 0.02 0.47 -0.01 2.35 -1.08 0.00 0.00 179.45 181.20 1u6t h TRP 47 N 0.38 -0.04 0.26 -1.35 7.01 -0.77 -1.17 115.95 120.27 1u6t h TRP 47 Ca 0.11 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1u6t h TRP 47 Cb 0.16 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 1u6t h TRP 47 CO -0.01 -0.06 -0.21 1.98 -2.79 0.00 0.00 178.44 177.35 1u6t h MET 48 N 0.07 -0.46 -0.78 2.65 4.05 -1.15 0.26 114.93 119.56 1u6t h MET 48 Ca 0.14 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.69 1u6t h MET 48 Cb 0.18 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.04 1u6t h MET 48 CO -0.24 -0.31 0.51 0.00 0.23 0.00 0.00 176.91 177.11 1u6t h ARG 49 N -0.48 0.67 0.13 0.39 3.08 -1.12 -1.56 114.38 115.48 1u6t h ARG 49 Ca -0.01 -0.04 -0.28 0.00 0.07 0.00 0.00 59.98 59.71 1u6t h ARG 49 Cb 0.43 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1u6t h ARG 49 CO -0.02 0.44 -1.33 1.49 -1.07 0.00 0.00 179.97 179.48 1u6t h GLU 50 N 0.69 0.27 -0.00 0.04 4.57 -0.99 -3.33 114.58 115.82 1u6t h GLU 50 Ca 0.36 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1u6t h GLU 50 Cb 0.49 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1u6t h GLU 50 CO -0.14 1.19 -0.09 0.09 -1.18 0.00 0.00 179.01 178.88 1u6t n ASN 51 N -3.51 0.54 -4.66 1.04 4.13 0.06 -4.67 115.26 108.19 1u6t n ASN 51 Ca -0.11 -0.74 -0.42 0.00 1.68 0.00 0.00 54.58 54.99 1u6t n ASN 51 Cb 1.03 -0.05 -0.04 0.00 -1.54 0.00 0.00 39.78 39.18 1u6t n ASN 51 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1u6t s VAL 52 N -2.36 4.82 0.67 2.41 1.01 -0.63 -4.74 120.40 121.59 1u6t s VAL 52 Ca 0.32 1.71 -0.17 0.00 0.00 0.00 0.00 61.98 63.84 1u6t s VAL 52 Cb 0.20 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 1u6t s VAL 52 CO 0.45 -0.04 1.18 -0.81 0.00 0.00 0.00 175.10 175.87 1u6t n PRO 53 N 5.67 0.86 -0.30 2.72 -0.04 -1.26 -4.81 135.00 137.83 1u6t n PRO 53 Ca 0.06 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1u6t n PRO 53 Cb 0.48 -2.41 0.28 0.00 -0.04 0.00 0.00 33.50 31.81 1u6t n PRO 53 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1u6t h GLU 54 N 0.21 0.43 0.00 0.54 4.57 -1.94 -0.06 114.58 118.32 1u6t h GLU 54 Ca -0.49 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1u6t h GLU 54 Cb 1.34 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1u6t h GLU 54 CO 0.51 0.28 0.00 0.27 -1.18 0.00 0.00 179.01 178.89 1u6t n ASN 55 N -5.01 0.00 -0.04 1.04 2.04 -1.26 -1.97 115.26 110.06 1u6t n ASN 55 Ca 0.21 -0.55 0.00 0.00 -0.44 0.00 0.00 54.58 53.80 1u6t n ASN 55 Cb 0.60 -0.01 0.01 0.00 -2.53 0.00 0.00 39.78 37.84 1u6t n ASN 55 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1u6t n SER 56 N -1.01 1.38 -4.63 0.53 7.64 -0.05 -4.97 113.62 112.51 1u6t n SER 56 Ca 0.14 -1.34 -0.40 0.00 1.01 0.00 0.00 58.87 58.28 1u6t n SER 56 Cb 0.07 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 1u6t n SER 56 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1u6t s ARG 57 N -0.36 4.11 0.95 1.43 0.52 -0.83 -4.88 118.95 119.89 1u6t s ARG 57 Ca 0.01 0.46 -0.11 0.00 -0.52 0.00 0.00 55.73 55.57 1u6t s ARG 57 Cb 0.01 -3.64 0.14 0.00 0.52 0.00 0.00 34.95 31.97 1u6t s ARG 57 CO 0.01 -0.36 0.94 -2.30 0.02 0.00 0.00 175.30 173.61 1u6t n PRO 58 N 5.54 -0.63 0.00 3.54 -0.02 -1.26 -4.89 135.00 137.28 1u6t n PRO 58 Ca -0.02 -0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.45 1u6t n PRO 58 Cb 0.49 -2.23 0.53 0.00 -0.02 0.00 0.00 33.50 32.27 1u6t n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u6t n ALA 59 N -4.19 2.11 -3.32 3.55 0.00 -1.26 -4.68 120.51 112.73 1u6t n ALA 59 Ca 0.10 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1u6t n ALA 59 Cb 0.53 -1.39 -0.17 0.00 0.00 0.00 0.00 19.45 18.42 1u6t n ALA 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u6t s THR 60 N -2.93 1.68 0.00 0.00 2.01 -1.26 -5.07 115.64 110.06 1u6t s THR 60 Ca 0.13 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1u6t s THR 60 Cb 0.16 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 71.19 1u6t s THR 60 CO 0.43 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.44 1u6t n GLY 61 N 3.64 2.27 3.75 4.40 0.00 -1.26 -4.78 105.19 113.21 1u6t n GLY 61 Ca -0.21 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 1u6t n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u6t s TYR 62 N 0.00 2.99 0.41 1.61 1.51 -1.26 -4.82 117.35 117.78 1u6t s TYR 62 Ca 0.00 -0.11 -0.27 0.00 -1.01 0.00 0.00 57.07 55.69 1u6t s TYR 62 Cb 0.00 -1.40 -0.10 0.00 -0.11 0.00 0.00 41.96 40.35 1u6t s TYR 62 CO 0.00 0.54 1.39 -0.35 -1.11 0.00 0.00 175.55 176.02 1u6t n PRO 63 N -0.62 2.29 -3.52 -1.71 -0.04 -1.26 -4.82 135.00 125.32 1u6t n PRO 63 Ca -0.08 0.81 -0.36 0.00 -0.04 0.00 0.00 63.50 63.83 1u6t n PRO 63 Cb 0.56 -2.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.43 1u6t n PRO 63 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1u6t s LEU 64 N -2.01 4.39 0.63 1.53 1.43 -1.26 -4.99 118.68 118.40 1u6t s LEU 64 Ca 0.58 0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 54.42 1u6t s LEU 64 Cb -0.49 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 1u6t s LEU 64 CO 0.60 0.21 1.07 -2.16 0.23 0.00 0.00 176.35 176.30 1u6t s PRO 65 N -1.65 3.11 0.26 1.29 0.04 -1.26 -4.37 135.00 132.42 1u6t s PRO 65 Ca 0.31 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.30 1u6t s PRO 65 Cb -0.15 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1u6t s PRO 65 CO 0.17 -0.98 0.88 -1.25 0.04 0.00 0.00 177.00 175.86 1u6t s PRO 66 N -4.25 4.58 -0.14 0.56 0.04 -1.26 -4.86 135.00 129.67 1u6t s PRO 66 Ca 0.63 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1u6t s PRO 66 Cb -0.17 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1u6t s PRO 66 CO 0.41 0.40 -0.18 -0.65 0.04 0.00 0.00 177.00 177.02 1u6t s GLN 67 N -1.70 3.15 -0.20 4.56 -1.52 -0.89 -3.14 119.66 119.92 1u6t s GLN 67 Ca 0.45 -0.79 -0.07 0.00 -1.95 0.00 0.00 55.36 52.99 1u6t s GLN 67 Cb -0.21 -2.54 -0.04 0.00 -0.22 0.00 0.00 33.01 30.01 1u6t s GLN 67 CO 0.25 0.04 0.06 0.42 -0.25 0.00 0.00 175.29 175.82 1u6t s ILE 68 N 0.73 4.67 0.14 1.08 1.01 0.16 -1.14 121.20 127.84 1u6t s ILE 68 Ca -0.08 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1u6t s ILE 68 Cb -0.16 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1u6t s ILE 68 CO 0.01 0.43 -0.16 -0.36 0.00 0.00 0.00 174.94 174.86 1u6t s PHE 69 N 0.66 1.57 -0.43 3.97 0.40 -0.08 -0.31 117.98 123.76 1u6t s PHE 69 Ca 0.03 -0.52 -0.08 0.00 -0.60 0.00 0.00 56.93 55.77 1u6t s PHE 69 Cb -0.13 -0.81 0.10 0.00 0.51 0.00 0.00 43.02 42.69 1u6t s PHE 69 CO 0.02 0.21 0.27 1.21 0.70 0.00 0.00 175.22 177.63 1u6t s ASN 70 N -2.49 5.56 1.94 1.36 3.04 0.14 0.24 114.94 124.74 1u6t s ASN 70 Ca 0.11 -1.76 0.00 0.00 0.04 0.00 0.00 52.86 51.25 1u6t s ASN 70 Cb -0.06 -1.96 0.00 0.00 -1.54 0.00 0.00 41.25 37.70 1u6t s ASN 70 CO 0.04 -0.59 0.00 -0.62 -3.04 0.00 0.00 177.10 172.89 1u6t n GLU 71 N 4.84 0.00 -0.01 0.43 -0.58 -0.16 -0.91 120.64 124.26 1u6t n GLU 71 Ca -0.08 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.79 1u6t n GLU 71 Cb 0.42 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.48 1u6t n GLU 71 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1u6t n SER 72 N 9.24 2.71 -4.68 1.62 3.41 -1.26 -4.68 113.62 119.98 1u6t n SER 72 Ca 0.00 -1.90 -0.39 0.00 -0.26 0.00 0.00 58.87 56.32 1u6t n SER 72 Cb 0.00 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1u6t n SER 72 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1u6t s GLN 73 N -1.98 4.25 0.18 4.33 0.74 -0.08 -5.04 119.66 122.06 1u6t s GLN 73 Ca 0.30 0.52 -0.31 0.00 0.05 0.00 0.00 55.36 55.93 1u6t s GLN 73 Cb 0.20 -3.53 -0.09 0.00 1.10 0.00 0.00 33.01 30.70 1u6t s GLN 73 CO 0.31 -0.08 1.40 -0.47 -0.55 0.00 0.00 175.29 175.89 1u6t s TYR 74 N 1.40 3.17 -0.14 1.67 5.04 -1.26 0.26 117.35 127.50 1u6t s TYR 74 Ca 0.27 1.02 -0.02 0.00 -2.44 0.00 0.00 57.07 55.89 1u6t s TYR 74 Cb -0.16 -3.72 -0.08 0.00 0.35 0.00 0.00 41.96 38.36 1u6t s TYR 74 CO 0.11 -2.42 -0.14 0.54 -1.34 0.00 0.00 175.55 172.29 1u6t n ARG 75 N 3.12 0.32 0.00 4.97 5.12 0.58 -4.86 116.66 125.90 1u6t n ARG 75 Ca 0.09 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1u6t n ARG 75 Cb 0.41 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.56 1u6t n ARG 75 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1u6t n GLY 76 N 2.57 1.36 0.00 -0.13 0.00 -0.96 -4.98 105.19 103.05 1u6t n GLY 76 Ca -0.25 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1u6t n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u6t n ASP 77 N 0.00 0.00 -0.22 1.61 5.68 -1.26 -0.67 116.55 121.69 1u6t n ASP 77 Ca 0.00 -0.88 -0.07 0.00 -0.50 0.00 0.00 54.79 53.34 1u6t n ASP 77 Cb 0.00 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.02 1u6t n ASP 77 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1u6t h TYR 78 N -0.34 0.88 -0.86 2.11 5.03 -1.86 -1.63 116.97 120.30 1u6t h TYR 78 Ca 0.00 -0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.30 1u6t h TYR 78 Cb 0.00 -0.27 -0.05 0.00 1.55 0.00 0.00 36.73 37.96 1u6t h TYR 78 CO 0.00 0.66 0.56 -0.44 -1.32 0.00 0.00 178.16 177.61 1u6t h ASP 79 N 0.85 0.93 -0.48 -2.11 3.32 -1.94 0.52 116.42 117.50 1u6t h ASP 79 Ca 0.21 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1u6t h ASP 79 Cb 0.10 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1u6t h ASP 79 CO -0.03 0.65 -0.03 0.00 -1.72 0.00 0.00 179.24 178.11 1u6t h ALA 80 N 1.35 0.94 -0.36 3.45 0.00 -1.86 -1.56 119.26 121.21 1u6t h ALA 80 Ca 0.33 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1u6t h ALA 80 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1u6t h ALA 80 CO -0.10 0.63 -0.24 0.35 0.00 0.00 0.00 179.25 179.89 1u6t h PHE 81 N 0.85 0.93 -0.51 0.00 3.57 -0.45 -1.60 116.94 119.74 1u6t h PHE 81 Ca 0.15 -0.25 0.03 0.00 3.53 0.00 0.00 57.97 61.43 1u6t h PHE 81 Cb 0.55 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1u6t h PHE 81 CO 0.03 1.01 0.30 0.35 -2.23 0.00 0.00 178.31 177.77 1u6t h PHE 82 N 0.58 0.56 -0.41 0.41 3.57 0.26 -1.40 116.94 120.51 1u6t h PHE 82 Ca 0.07 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 1u6t h PHE 82 Cb 0.80 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1u6t h PHE 82 CO 0.06 0.32 -0.36 1.49 -2.23 0.00 0.00 178.31 177.59 1u6t h GLU 83 N 0.60 0.96 -0.92 1.11 4.81 -1.26 -1.92 114.58 117.96 1u6t h GLU 83 Ca 0.21 -0.49 0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1u6t h GLU 83 Cb 0.03 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 1u6t h GLU 83 CO -0.10 1.15 0.60 0.00 -0.73 0.00 0.00 179.01 179.93 1u6t h ALA 84 N 0.79 1.21 -0.08 2.92 0.00 -0.96 -0.77 119.26 122.38 1u6t h ALA 84 Ca 0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1u6t h ALA 84 Cb 0.95 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1u6t h ALA 84 CO 0.09 0.47 -0.55 -0.09 0.00 0.00 0.00 179.25 179.17 1u6t h ARG 85 N 1.17 0.24 -0.27 0.00 2.43 -1.13 0.65 114.38 117.46 1u6t h ARG 85 Ca 0.36 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.30 1u6t h ARG 85 Cb -0.01 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1u6t h ARG 85 CO -0.12 0.73 -0.18 0.93 -1.51 0.00 0.00 179.97 179.82 1u6t h GLU 86 N 0.18 0.48 -0.29 0.20 4.39 -0.51 -2.54 114.58 116.50 1u6t h GLU 86 Ca 0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1u6t h GLU 86 Cb 1.03 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1u6t h GLU 86 CO 0.09 0.65 0.00 0.09 -1.16 0.00 0.00 179.01 178.67 1u6t n ASN 87 N -4.17 2.25 -3.84 1.42 3.02 -0.38 -4.94 115.26 108.62 1u6t n ASN 87 Ca 0.00 -1.85 -0.25 0.00 -0.03 0.00 0.00 54.58 52.46 1u6t n ASN 87 Cb 0.36 -0.19 0.01 0.00 -0.61 0.00 0.00 39.78 39.35 1u6t n ASN 87 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1u6t n ASN 88 N 0.71 -1.41 -2.73 6.41 4.05 -0.57 -4.88 115.26 116.84 1u6t n ASN 88 Ca 0.16 -0.89 -0.03 0.00 0.45 0.00 0.00 54.58 54.27 1u6t n ASN 88 Cb 0.40 -3.62 0.05 0.00 1.23 0.00 0.00 39.78 37.84 1u6t n ASN 88 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1u6t n ALA 89 N -4.38 2.93 -0.15 5.20 0.00 0.12 -4.55 120.51 119.67 1u6t n ALA 89 Ca -0.24 -2.90 -0.10 0.00 0.00 0.00 0.00 53.44 50.19 1u6t n ALA 89 Cb 0.65 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 19.29 1u6t n ALA 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u6t h VAL 90 N 5.08 1.26 -0.64 0.00 2.07 -1.90 -2.13 116.25 119.99 1u6t h VAL 90 Ca -0.07 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1u6t h VAL 90 Cb 1.30 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1u6t h VAL 90 CO 0.27 0.35 0.39 1.88 0.02 0.00 0.00 177.57 180.48 1u6t h TYR 91 N 0.62 0.85 -0.63 1.57 -1.99 -1.91 0.57 116.97 116.06 1u6t h TYR 91 Ca 0.13 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1u6t h TYR 91 Cb 0.47 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.89 1u6t h TYR 91 CO 0.04 0.57 0.39 0.00 -0.00 0.00 0.00 178.16 179.16 1u6t h ALA 92 N 1.20 0.80 -0.96 3.88 0.00 -1.65 0.18 119.26 122.70 1u6t h ALA 92 Ca 0.23 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1u6t h ALA 92 Cb -0.03 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 1u6t h ALA 92 CO -0.04 0.27 0.60 0.35 0.00 0.00 0.00 179.25 180.43 1u6t h PHE 93 N 0.85 1.11 -0.00 0.00 3.57 -0.60 -1.20 116.94 120.67 1u6t h PHE 93 Ca 0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1u6t h PHE 93 Cb -0.04 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.34 1u6t h PHE 93 CO -0.02 0.54 -0.04 1.28 -2.23 0.00 0.00 178.31 177.83 1u6t n LEU 94 N -4.57 0.10 -0.29 0.59 4.77 0.10 -4.82 117.00 112.87 1u6t n LEU 94 Ca 0.15 0.29 -0.03 0.00 -0.03 0.00 0.00 56.01 56.39 1u6t n LEU 94 Cb 0.23 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1u6t n LEU 94 CO 0.30 0.02 -0.03 0.61 -1.33 0.00 0.00 177.39 176.96 1u6t n GLY 95 N 1.36 0.31 3.58 -0.72 0.00 -0.45 -4.70 105.19 104.56 1u6t n GLY 95 Ca 0.12 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 1u6t n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u6t s LEU 96 N -0.75 2.98 0.00 0.99 1.43 0.49 -5.02 118.68 118.80 1u6t s LEU 96 Ca 0.00 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 1u6t s LEU 96 Cb 0.00 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 1u6t s LEU 96 CO 0.00 0.04 0.97 -0.89 0.23 0.00 0.00 176.35 176.70 1u6t s THR 97 N -2.18 4.86 0.13 5.49 2.01 -1.26 -3.87 115.64 120.81 1u6t s THR 97 Ca 0.29 2.04 -0.31 0.00 0.31 0.00 0.00 61.69 64.02 1u6t s THR 97 Cb -0.07 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 68.04 1u6t s THR 97 CO 0.17 0.17 1.50 0.00 -0.69 0.00 0.00 174.62 175.77 1u6t s ALA 98 N 0.96 3.69 0.33 7.40 0.00 -1.26 -4.94 121.76 127.94 1u6t s ALA 98 Ca 0.51 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 53.42 1u6t s ALA 98 Cb -0.21 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.20 1u6t s ALA 98 CO 0.28 -0.76 1.48 -1.25 0.00 0.00 0.00 175.76 175.50 1u6t s PRO 99 N 1.36 4.17 0.34 0.00 0.04 -1.26 -4.67 135.00 134.99 1u6t s PRO 99 Ca 0.68 2.48 0.28 0.00 0.04 0.00 0.00 61.00 64.48 1u6t s PRO 99 Cb -0.40 -3.02 1.10 0.00 0.04 0.00 0.00 34.50 32.22 1u6t s PRO 99 CO 0.31 -0.49 1.07 -2.30 0.04 0.00 0.00 177.00 175.63 1u6t n PRO 100 N 1.17 -0.01 -0.16 0.56 -0.02 -1.26 -0.68 135.00 134.61 1u6t n PRO 100 Ca 0.03 0.80 0.06 0.00 -2.02 0.00 0.00 63.50 62.38 1u6t n PRO 100 Cb 0.39 -1.70 0.15 0.00 -0.02 0.00 0.00 33.50 32.32 1u6t n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u6t n GLY 101 N -1.49 2.07 3.82 -1.23 0.00 -1.26 -4.79 105.19 102.31 1u6t n GLY 101 Ca 0.29 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1u6t n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u6t s SER 102 N -1.01 6.80 0.20 1.61 1.04 0.15 -4.96 113.70 117.53 1u6t s SER 102 Ca 0.24 1.69 -0.11 0.00 0.48 0.00 0.00 55.95 58.25 1u6t s SER 102 Cb 0.13 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.86 1u6t s SER 102 CO 0.18 -0.46 1.85 0.50 0.98 0.00 0.00 173.24 176.29 1u6t h LYS 103 N 1.66 0.97 -0.73 4.02 1.63 -1.95 -1.79 116.57 120.37 1u6t h LYS 103 Ca -0.49 -0.08 0.07 0.00 -0.85 0.00 0.00 60.65 59.31 1u6t h LYS 103 Cb 1.19 -0.21 -0.06 0.00 -0.60 0.00 0.00 32.23 32.55 1u6t h LYS 103 CO 0.61 0.67 0.41 1.49 -3.45 0.00 0.00 179.45 179.18 1u6t h GLU 104 N 0.98 0.72 -0.55 1.90 4.81 -1.92 0.81 114.58 121.33 1u6t h GLU 104 Ca 0.26 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1u6t h GLU 104 Cb -0.06 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 1u6t h GLU 104 CO -0.05 0.48 0.06 0.00 -0.73 0.00 0.00 179.01 178.77 1u6t h ALA 105 N 1.38 0.73 -0.26 2.92 0.00 -1.64 -0.96 119.26 121.44 1u6t h ALA 105 Ca 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1u6t h ALA 105 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1u6t h ALA 105 CO -0.20 0.50 0.08 1.49 0.00 0.00 0.00 179.25 181.12 1u6t h GLU 106 N 0.82 0.40 -0.57 0.00 4.81 -0.55 0.11 114.58 119.59 1u6t h GLU 106 Ca 0.16 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1u6t h GLU 106 Cb 0.45 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1u6t h GLU 106 CO 0.02 0.47 0.35 0.28 -0.73 0.00 0.00 179.01 179.40 1u6t h VAL 107 N 0.25 1.07 -0.59 0.32 2.07 -0.77 0.37 116.25 118.96 1u6t h VAL 107 Ca 0.08 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1u6t h VAL 107 Cb 0.24 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1u6t h VAL 107 CO -0.00 0.13 0.28 -0.61 0.02 0.00 0.00 177.57 177.38 1u6t h GLN 108 N 0.69 0.86 -0.33 1.57 5.75 -0.93 -1.41 115.11 121.32 1u6t h GLN 108 Ca 0.23 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1u6t h GLN 108 Cb 0.01 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1u6t h GLN 108 CO -0.09 0.71 0.21 0.00 -2.65 0.00 0.00 178.83 177.00 1u6t h ALA 109 N 1.11 0.42 -0.53 3.38 0.00 -0.04 -1.30 119.26 122.29 1u6t h ALA 109 Ca 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1u6t h ALA 109 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1u6t h ALA 109 CO -0.02 -0.11 0.17 0.87 0.00 0.00 0.00 179.25 180.15 1u6t h LYS 110 N 0.44 0.82 -0.57 0.00 1.57 -0.78 -1.56 116.57 116.49 1u6t h LYS 110 Ca 0.12 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1u6t h LYS 110 Cb -0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1u6t h LYS 110 CO -0.03 0.75 0.30 1.96 -0.57 0.00 0.00 179.45 181.86 1u6t h GLN 111 N 0.73 0.80 -0.29 3.15 4.20 -1.03 -1.58 115.11 121.09 1u6t h GLN 111 Ca 0.17 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 1u6t h GLN 111 Cb 0.27 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1u6t h GLN 111 CO -0.01 0.63 -0.29 1.96 -0.67 0.00 0.00 178.83 180.45 1u6t h GLN 112 N 0.76 0.59 -0.49 1.46 4.20 -1.15 -1.84 115.11 118.64 1u6t h GLN 112 Ca 0.20 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1u6t h GLN 112 Cb 0.07 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1u6t h GLN 112 CO -0.03 0.81 0.22 0.00 -0.67 0.00 0.00 178.83 179.16 1u6t h ALA 113 N 1.18 0.64 -0.06 3.87 0.00 -0.97 -1.23 119.26 122.68 1u6t h ALA 113 Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u6t h ALA 113 Cb 0.76 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1u6t h ALA 113 CO 0.06 0.22 0.02 1.25 0.00 0.00 0.00 179.25 180.80 1u6t h LEU 114 N 0.65 0.09 -2.04 0.00 5.85 -1.14 -1.58 115.31 117.14 1u6t h LEU 114 Ca 0.17 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1u6t h LEU 114 Cb 0.16 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1u6t h LEU 114 CO -0.02 0.27 0.01 -0.33 -0.34 0.00 0.00 178.44 178.03 1u6t h GLU 115 N -0.10 0.00 -0.09 1.25 5.08 -1.19 -1.57 114.58 117.97 1u6t h GLU 115 Ca 0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1u6t h GLU 115 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1u6t h GLU 115 CO -0.00 0.00 -0.37 1.25 -1.00 0.00 0.00 179.01 178.89 1u6t h HIS 116 N 0.00 0.55 0.00 4.33 2.76 -0.92 -2.51 115.15 119.36 1u6t h HIS 116 Ca 0.01 -0.23 -0.03 0.00 -2.20 0.00 0.00 60.37 57.92 1u6t h HIS 116 Cb 0.03 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 28.90 1u6t h HIS 116 CO 0.00 0.98 -0.12 0.45 -1.30 0.00 0.00 177.93 177.94 1u6t h HIS 117 N -0.04 0.00 -0.15 5.26 3.86 -0.52 0.43 115.15 124.00 1u6t h HIS 117 Ca -0.02 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.99 1u6t h HIS 117 Cb 1.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1u6t h HIS 117 CO 0.12 0.12 -0.70 0.45 0.86 0.00 0.00 177.93 178.78 1u6t h HIS 118 N 0.00 0.85 -0.26 2.45 -0.00 -1.30 -3.14 115.15 113.75 1u6t h HIS 118 Ca -0.00 -0.36 -0.16 0.00 -0.00 0.00 0.00 60.37 59.86 1u6t h HIS 118 Cb 0.22 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 1u6t h HIS 118 CO 0.00 1.15 -0.47 1.25 -0.00 0.00 0.00 177.93 179.86 1u6t h HIS 119 N 0.45 0.84 -4.02 2.45 6.17 -0.80 -3.45 115.15 116.80 1u6t h HIS 119 Ca -0.03 -0.27 -0.52 0.00 0.71 0.00 0.00 60.37 60.27 1u6t h HIS 119 Cb 1.30 -0.17 0.08 0.00 2.52 0.00 0.00 27.41 31.14 1u6t h HIS 119 CO 0.06 1.03 0.50 -1.58 0.71 0.00 0.00 177.93 178.65 1u6t s HIS 120 N -4.18 2.74 -2.83 5.26 5.04 0.14 -5.10 115.29 116.38 1u6t s HIS 120 Ca -0.09 1.51 0.23 0.00 -1.54 0.00 0.00 55.06 55.17 1u6t s HIS 120 Cb 0.11 -3.46 0.18 0.00 0.04 0.00 0.00 32.58 29.46 1u6t s HIS 120 CO 0.85 -1.79 1.22 0.72 -2.34 0.00 0.00 174.74 173.40