#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1unq h MET 1 N 0.00 0.13 -0.13 4.33 0.00 -2.05 -3.13 114.93 114.07 1unq h MET 1 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 59.70 59.42 1unq h MET 1 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 31.60 31.67 1unq h MET 1 CO 0.00 1.06 -0.20 0.66 0.00 0.00 0.00 176.91 178.43 1unq h SER 2 N 0.04 0.22 0.45 1.22 4.64 -2.04 -2.53 113.55 115.54 1unq h SER 2 Ca -0.10 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.11 1unq h SER 2 Cb 1.89 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.92 1unq h SER 2 CO 0.16 0.43 -0.26 0.44 -0.87 0.00 0.00 176.83 176.73 1unq h ASP 3 N 0.21 0.00 -0.56 4.97 3.32 -1.92 -2.75 116.42 119.69 1unq h ASP 3 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1unq h ASP 3 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1unq h ASP 3 CO 0.03 0.26 0.00 1.33 -1.72 0.00 0.00 179.24 179.14 1unq n VAL 4 N -3.84 1.66 -1.83 -1.35 0.24 -0.97 -0.72 118.33 111.51 1unq n VAL 4 Ca -0.02 -1.23 -0.40 0.00 -2.04 0.00 0.00 64.34 60.66 1unq n VAL 4 Cb 0.35 0.19 0.01 0.00 -1.47 0.00 0.00 33.84 32.92 1unq n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1unq s ALA 5 N -1.73 3.35 -0.32 2.33 0.00 -1.04 -4.77 121.76 119.58 1unq s ALA 5 Ca 0.45 1.47 -0.26 0.00 0.00 0.00 0.00 51.96 53.63 1unq s ALA 5 Cb 0.29 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1unq s ALA 5 CO 0.22 -1.10 0.91 0.42 0.00 0.00 0.00 175.76 176.21 1unq s ILE 6 N -1.18 4.66 -0.00 0.00 1.01 -1.26 -1.76 121.20 122.67 1unq s ILE 6 Ca 0.58 1.36 -0.19 0.00 0.00 0.00 0.00 60.65 62.40 1unq s ILE 6 Cb -0.44 -4.27 -0.34 0.00 0.01 0.00 0.00 42.46 37.42 1unq s ILE 6 CO 0.58 -0.38 0.96 0.58 0.00 0.00 0.00 174.94 176.67 1unq h VAL 7 N 5.69 1.38 -2.18 2.92 2.07 -1.08 -3.47 116.25 121.57 1unq h VAL 7 Ca -0.23 -2.62 -0.06 0.00 0.82 0.00 0.00 66.70 64.61 1unq h VAL 7 Cb 1.08 3.11 -0.21 0.00 -1.52 0.00 0.00 31.29 33.75 1unq h VAL 7 CO 0.95 0.77 0.05 -0.75 0.02 0.00 0.00 177.57 178.61 1unq s LYS 8 N -2.53 0.78 0.00 1.57 2.20 -1.20 -5.02 119.74 115.54 1unq s LYS 8 Ca -0.11 0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 56.22 1unq s LYS 8 Cb 0.03 0.38 0.01 0.00 -1.51 0.00 0.00 37.83 36.73 1unq s LYS 8 CO 0.90 -0.11 0.19 -1.83 -0.36 0.00 0.00 175.35 174.13 1unq s GLU 9 N 0.16 0.55 0.00 4.03 -1.05 -1.26 -0.78 118.70 120.35 1unq s GLU 9 Ca -0.01 -0.37 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 1unq s GLU 9 Cb -0.04 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1unq s GLU 9 CO 0.02 -0.14 0.00 0.41 0.95 0.00 0.00 175.26 176.50 1unq n GLY 10 N 1.33 1.55 3.81 -3.83 0.00 -0.07 -5.00 105.19 102.97 1unq n GLY 10 Ca -0.22 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 1unq n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1unq s TRP 11 N -2.00 3.17 0.35 1.61 0.52 -1.26 -0.74 118.94 120.60 1unq s TRP 11 Ca 0.00 1.59 -0.11 0.00 0.02 0.00 0.00 56.10 57.60 1unq s TRP 11 Cb 0.00 -2.94 0.03 0.00 -1.15 0.00 0.00 33.47 29.40 1unq s TRP 11 CO 0.00 -0.45 0.65 -0.48 0.02 0.00 0.00 176.95 176.68 1unq s LEU 12 N -3.38 0.39 -0.09 2.99 0.05 -0.26 -4.93 118.68 113.46 1unq s LEU 12 Ca 0.64 -1.23 -0.02 0.00 0.05 0.00 0.00 54.13 53.58 1unq s LEU 12 Cb -0.12 2.25 -0.03 0.00 -2.05 0.00 0.00 46.19 46.23 1unq s LEU 12 CO 0.17 -1.49 -0.01 -1.00 -0.55 0.00 0.00 176.35 173.48 1unq s HIS 13 N -2.80 3.14 -0.11 3.48 3.76 -0.71 -0.87 115.29 121.17 1unq s HIS 13 Ca 0.21 0.17 0.02 0.00 -0.15 0.00 0.00 55.06 55.32 1unq s HIS 13 Cb -0.03 -1.79 0.01 0.00 1.11 0.00 0.00 32.58 31.88 1unq s HIS 13 CO 0.14 0.44 -0.19 0.21 -0.85 0.00 0.00 174.74 174.50 1unq s LYS 14 N -0.84 2.60 0.04 1.40 2.20 0.13 -0.57 119.74 124.69 1unq s LYS 14 Ca 0.13 -0.71 -0.26 0.00 -0.36 0.00 0.00 55.97 54.77 1unq s LYS 14 Cb -0.11 -2.10 -0.05 0.00 -1.51 0.00 0.00 37.83 34.06 1unq s LYS 14 CO 0.02 0.01 0.83 0.50 -0.36 0.00 0.00 175.35 176.35 1unq s ARG 15 N 0.77 4.54 0.71 4.03 3.52 -0.09 -0.93 118.95 131.49 1unq s ARG 15 Ca -0.10 1.17 -0.16 0.00 -0.13 0.00 0.00 55.73 56.51 1unq s ARG 15 Cb -0.16 -3.39 0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1unq s ARG 15 CO 0.01 0.20 1.24 0.20 -0.81 0.00 0.00 175.30 176.13 1unq s GLY 16 N 0.21 2.53 0.16 8.12 0.00 0.12 -4.65 107.32 113.80 1unq s GLY 16 Ca 0.42 1.01 0.08 0.00 0.00 0.00 0.00 44.72 46.22 1unq s GLY 16 CO 0.24 1.42 1.37 0.83 0.00 0.00 0.00 173.10 176.96 1unq h GLU 17 N -0.02 0.00 0.00 2.90 4.39 -1.95 -3.38 114.58 116.51 1unq h GLU 17 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1unq h GLU 17 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1unq h GLU 17 CO 0.51 0.90 -0.93 0.66 -1.16 0.00 0.00 179.01 178.99 1unq n TYR 18 N -3.47 0.00 -3.26 4.33 4.01 -1.26 -4.86 117.16 112.65 1unq n TYR 18 Ca -0.00 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.28 1unq n TYR 18 Cb 0.85 0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.87 1unq n TYR 18 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1unq s ILE 19 N -1.97 5.23 -0.51 -0.72 1.01 -1.26 -4.95 121.20 118.03 1unq s ILE 19 Ca 0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 60.65 58.90 1unq s ILE 19 Cb 0.00 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1unq s ILE 19 CO 0.00 -1.00 3.00 0.29 0.00 0.00 0.00 174.94 177.23 1unq n LYS 20 N 5.14 2.66 -2.91 2.79 5.02 -1.26 -3.76 118.16 125.83 1unq n LYS 20 Ca -0.03 -2.07 -0.28 0.00 -2.02 0.00 0.00 58.31 53.91 1unq n LYS 20 Cb 0.43 -2.21 -0.02 0.00 -0.02 0.00 0.00 35.03 33.21 1unq n LYS 20 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1unq s THR 21 N -0.79 4.91 -0.26 -0.18 -4.23 -1.26 -4.64 115.64 109.19 1unq s THR 21 Ca 0.62 0.25 -0.21 0.00 -1.18 0.00 0.00 61.69 61.16 1unq s THR 21 Cb 0.32 -3.80 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 1unq s THR 21 CO -0.13 -0.61 0.68 0.26 -0.54 0.00 0.00 174.62 174.28 1unq s TRP 22 N -2.45 3.28 -0.12 3.99 0.52 -1.26 -0.70 118.94 122.19 1unq s TRP 22 Ca 0.47 0.87 0.01 0.00 0.02 0.00 0.00 56.10 57.47 1unq s TRP 22 Cb -0.10 -2.92 -0.01 0.00 -1.15 0.00 0.00 33.47 29.29 1unq s TRP 22 CO 0.37 -0.37 -0.16 1.03 0.02 0.00 0.00 176.95 177.84 1unq s ARG 23 N 2.61 3.29 0.15 4.98 0.52 -0.11 -4.86 118.95 125.54 1unq s ARG 23 Ca 0.28 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.45 1unq s ARG 23 Cb -0.15 -2.55 -0.08 0.00 0.52 0.00 0.00 34.95 32.69 1unq s ARG 23 CO 0.09 0.20 1.28 -1.25 0.02 0.00 0.00 175.30 175.64 1unq s PRO 24 N 0.37 4.40 -0.00 3.54 0.04 -1.26 -0.69 135.00 141.39 1unq s PRO 24 Ca -0.13 1.97 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 1unq s PRO 24 Cb -0.16 -3.24 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 1unq s PRO 24 CO 0.06 -0.26 0.04 1.03 0.04 0.00 0.00 177.00 177.92 1unq s ARG 25 N 0.33 0.21 -0.29 4.56 1.81 -0.05 -4.80 118.95 120.73 1unq s ARG 25 Ca 0.58 -0.23 -0.13 0.00 -1.72 0.00 0.00 55.73 54.23 1unq s ARG 25 Cb -0.34 0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.20 1unq s ARG 25 CO 0.34 -0.04 0.28 -0.47 -0.68 0.00 0.00 175.30 174.73 1unq s TYR 26 N -0.69 3.23 0.15 -0.53 6.14 -0.26 -1.10 117.35 124.28 1unq s TYR 26 Ca -0.08 0.17 0.08 0.00 0.64 0.00 0.00 57.07 57.88 1unq s TYR 26 Cb -0.05 -2.49 -0.04 0.00 0.42 0.00 0.00 41.96 39.80 1unq s TYR 26 CO -0.00 -0.24 -0.11 -0.06 0.64 0.00 0.00 175.55 175.79 1unq s PHE 27 N 1.89 2.66 -0.03 4.97 0.40 0.08 -0.79 117.98 127.16 1unq s PHE 27 Ca 0.10 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1unq s PHE 27 Cb -0.16 -1.35 0.03 0.00 0.51 0.00 0.00 43.02 42.05 1unq s PHE 27 CO 0.11 0.47 0.00 -1.17 0.70 0.00 0.00 175.22 175.33 1unq s LEU 28 N -2.53 1.08 -0.14 -0.37 0.20 0.12 -0.89 118.68 116.14 1unq s LEU 28 Ca 0.23 -0.03 -0.01 0.00 0.69 0.00 0.00 54.13 55.01 1unq s LEU 28 Cb -0.10 -0.23 -0.02 0.00 -0.43 0.00 0.00 46.19 45.41 1unq s LEU 28 CO 0.14 -0.11 -0.11 -0.22 -0.29 0.00 0.00 176.35 175.76 1unq s LEU 29 N 1.14 2.83 0.26 -0.68 2.96 0.04 -1.05 118.68 124.18 1unq s LEU 29 Ca -0.08 -0.30 0.09 0.00 -0.22 0.00 0.00 54.13 53.62 1unq s LEU 29 Cb -0.13 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1unq s LEU 29 CO -0.02 0.15 0.01 -0.54 -1.32 0.00 0.00 176.35 174.62 1unq s LYS 30 N 0.47 2.33 0.46 1.98 1.02 -0.49 -0.44 119.74 125.06 1unq s LYS 30 Ca -0.08 -1.40 0.31 0.00 0.02 0.00 0.00 55.97 54.83 1unq s LYS 30 Cb -0.15 -2.18 1.61 0.00 -0.52 0.00 0.00 37.83 36.58 1unq s LYS 30 CO 0.04 0.37 1.95 -0.91 -0.92 0.00 0.00 175.35 175.88 1unq h ASN 31 N 1.87 0.00 -0.18 2.83 2.35 -1.26 -1.45 115.58 119.73 1unq h ASN 31 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1unq h ASN 31 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1unq h ASN 31 CO 0.60 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.48 1unq n ASP 32 N -2.63 1.20 0.00 5.81 5.68 0.10 -4.80 116.55 121.91 1unq n ASP 32 Ca -0.01 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1unq n ASP 32 Cb 0.10 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1unq n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1unq n GLY 33 N 0.94 0.88 3.75 6.12 0.00 -0.55 -4.95 105.19 111.38 1unq n GLY 33 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1unq n GLY 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1unq s THR 34 N -2.52 4.01 -0.26 2.61 -4.23 -1.25 -0.73 115.64 113.27 1unq s THR 34 Ca 0.00 1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 62.43 1unq s THR 34 Cb 0.00 -4.23 0.08 0.00 1.34 0.00 0.00 72.50 69.69 1unq s THR 34 CO 0.00 0.42 0.05 0.12 -0.54 0.00 0.00 174.62 174.67 1unq s PHE 35 N -0.88 1.62 -0.01 3.99 5.36 -0.13 -1.40 117.98 126.52 1unq s PHE 35 Ca 0.44 -1.47 0.08 0.00 -0.96 0.00 0.00 56.93 55.01 1unq s PHE 35 Cb -0.27 -1.49 -0.02 0.00 -0.34 0.00 0.00 43.02 40.90 1unq s PHE 35 CO 0.34 -0.78 -0.24 0.96 -1.46 0.00 0.00 175.22 174.04 1unq s ILE 36 N 1.65 1.93 0.15 3.12 -0.00 -0.22 -0.99 121.20 126.84 1unq s ILE 36 Ca 0.04 -1.08 0.09 0.00 -0.00 0.00 0.00 60.65 59.70 1unq s ILE 36 Cb -0.17 -1.61 -0.04 0.00 -0.00 0.00 0.00 42.46 40.64 1unq s ILE 36 CO -0.17 0.51 -0.21 -0.83 -0.00 0.00 0.00 174.94 174.24 1unq s GLY 37 N -0.67 1.43 0.03 6.27 0.00 -0.30 -0.70 107.32 113.39 1unq s GLY 37 Ca 0.10 -1.44 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1unq s GLY 37 CO -0.00 -1.46 -0.08 -0.19 0.00 0.00 0.00 173.10 171.37 1unq s TYR 38 N -1.57 0.66 0.11 1.90 2.02 0.03 -0.39 117.35 120.12 1unq s TYR 38 Ca 0.14 -0.40 -0.15 0.00 -0.37 0.00 0.00 57.07 56.28 1unq s TYR 38 Cb -0.08 -0.40 -0.05 0.00 -0.40 0.00 0.00 41.96 41.03 1unq s TYR 38 CO 0.06 -0.06 1.50 -0.22 -1.57 0.00 0.00 175.55 175.26 1unq h LYS 39 N 4.83 0.69 -6.58 -0.62 3.64 -1.87 -0.67 116.57 116.00 1unq h LYS 39 Ca -0.34 -0.28 -0.69 0.00 -1.27 0.00 0.00 60.65 58.06 1unq h LYS 39 Cb 1.20 -0.03 -0.25 0.00 -0.41 0.00 0.00 32.23 32.74 1unq h LYS 39 CO 0.43 0.87 -0.84 -1.21 -2.27 0.00 0.00 179.45 176.43 1unq s GLU 40 N -4.71 2.09 0.09 1.90 0.41 -1.26 -4.66 118.70 112.56 1unq s GLU 40 Ca -0.13 -0.95 -0.31 0.00 -0.41 0.00 0.00 54.97 53.18 1unq s GLU 40 Cb 0.09 -2.13 -0.10 0.00 -1.78 0.00 0.00 34.13 30.21 1unq s GLU 40 CO 0.81 0.55 1.86 0.50 -0.49 0.00 0.00 175.26 178.49 1unq s ARG 41 N -1.07 4.14 0.44 1.61 3.52 -1.26 -4.87 118.95 121.46 1unq s ARG 41 Ca 0.12 2.58 -0.25 0.00 -0.13 0.00 0.00 55.73 58.05 1unq s ARG 41 Cb -0.10 -3.79 -0.08 0.00 -1.56 0.00 0.00 34.95 29.41 1unq s ARG 41 CO 0.02 -0.88 1.35 -2.14 -0.81 0.00 0.00 175.30 172.85 1unq s PRO 42 N 3.34 3.78 0.00 5.12 0.02 -1.26 -4.92 135.00 141.08 1unq s PRO 42 Ca 0.83 2.26 0.01 0.00 0.02 0.00 0.00 61.00 64.12 1unq s PRO 42 Cb -0.44 -2.66 0.01 0.00 0.02 0.00 0.00 34.50 31.42 1unq s PRO 42 CO 0.38 -0.69 0.51 1.04 -0.33 0.00 0.00 177.00 177.91 1unq n GLN 43 N -0.12 -0.45 -3.89 5.54 6.02 -1.26 -4.95 117.38 118.27 1unq n GLN 43 Ca 0.05 -0.53 -0.09 0.00 -0.01 0.00 0.00 57.00 56.42 1unq n GLN 43 Cb 0.43 -0.99 -0.01 0.00 1.02 0.00 0.00 30.24 30.69 1unq n GLN 43 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1unq s ASP 44 N -0.14 0.03 0.18 1.08 1.47 -1.26 -5.05 116.67 112.98 1unq s ASP 44 Ca 0.01 -1.00 -0.05 0.00 1.18 0.00 0.00 52.55 52.69 1unq s ASP 44 Cb 0.01 0.75 0.07 0.00 -0.34 0.00 0.00 42.92 43.41 1unq s ASP 44 CO 0.01 -1.45 1.49 0.58 0.68 0.00 0.00 175.17 176.49 1unq h VAL 45 N 2.05 1.30 -0.85 2.11 2.07 -1.99 -1.71 116.25 119.24 1unq h VAL 45 Ca -0.27 -1.74 0.02 0.00 0.82 0.00 0.00 66.70 65.54 1unq h VAL 45 Cb 1.25 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 1unq h VAL 45 CO 0.34 0.55 0.55 0.44 0.02 0.00 0.00 177.57 179.47 1unq h ASP 46 N 0.51 0.93 -0.54 0.57 3.45 -1.98 -1.00 116.42 118.36 1unq h ASP 46 Ca 0.02 -0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.37 1unq h ASP 46 Cb 1.07 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.61 1unq h ASP 46 CO 0.10 0.65 -0.01 1.56 -1.57 0.00 0.00 179.24 179.98 1unq h GLN 47 N 1.09 0.99 -0.38 3.56 4.20 -1.87 -2.68 115.11 120.03 1unq h GLN 47 Ca 0.33 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1unq h GLN 47 Cb -0.04 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1unq h GLN 47 CO -0.10 0.98 0.23 -0.09 -0.67 0.00 0.00 178.83 179.19 1unq h ARG 48 N 0.91 0.51 0.00 1.46 2.43 -0.46 -2.50 114.38 116.72 1unq h ARG 48 Ca 0.16 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1unq h ARG 48 Cb 0.54 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1unq h ARG 48 CO 0.03 0.35 0.00 0.39 -1.51 0.00 0.00 179.97 179.23 1unq n GLU 49 N -4.46 0.76 -3.16 0.20 1.02 -0.46 -4.21 120.64 110.33 1unq n GLU 49 Ca 0.03 0.01 -0.24 0.00 -0.02 0.00 0.00 57.16 56.93 1unq n GLU 49 Cb 0.07 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.94 1unq n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1unq n ALA 50 N -1.10 3.57 -1.38 0.62 0.00 -0.94 -5.09 120.51 116.19 1unq n ALA 50 Ca 0.19 -4.23 -0.33 0.00 0.00 0.00 0.00 53.44 49.08 1unq n ALA 50 Cb 0.15 -0.83 0.07 0.00 0.00 0.00 0.00 19.45 18.84 1unq n ALA 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1unq s PRO 51 N -2.63 2.46 -0.01 0.00 0.04 -1.26 -4.98 135.00 128.62 1unq s PRO 51 Ca 0.42 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.65 1unq s PRO 51 Cb 0.25 -1.91 -0.21 0.00 0.04 0.00 0.00 34.50 32.67 1unq s PRO 51 CO -0.09 -1.52 1.13 1.25 0.04 0.00 0.00 177.00 177.81 1unq h LEU 52 N -0.41 0.35 -8.87 -3.56 5.85 -1.09 -3.47 115.31 104.11 1unq h LEU 52 Ca -0.46 -0.69 -0.69 0.00 0.84 0.00 0.00 57.88 56.88 1unq h LEU 52 Cb 1.25 -0.11 -0.24 0.00 0.37 0.00 0.00 40.66 41.94 1unq h LEU 52 CO 0.52 0.99 -0.84 0.20 -0.34 0.00 0.00 178.44 178.98 1unq s ASN 53 N -6.39 3.54 -0.22 1.25 0.01 -0.55 -4.96 114.94 107.63 1unq s ASN 53 Ca -0.15 -0.50 -0.05 0.00 -0.71 0.00 0.00 52.86 51.45 1unq s ASN 53 Cb 0.03 -0.47 0.11 0.00 0.41 0.00 0.00 41.25 41.32 1unq s ASN 53 CO 0.77 0.26 0.40 0.21 -1.51 0.00 0.00 177.10 177.22 1unq s ASN 54 N -1.38 -0.06 0.24 -1.22 3.84 -1.26 -1.14 114.94 113.96 1unq s ASN 54 Ca 0.13 0.66 0.08 0.00 0.21 0.00 0.00 52.86 53.95 1unq s ASN 54 Cb -0.10 1.25 -0.05 0.00 -0.55 0.00 0.00 41.25 41.80 1unq s ASN 54 CO 0.04 -0.26 -0.13 -0.36 -2.79 0.00 0.00 177.10 173.60 1unq s PHE 55 N 2.58 1.90 -0.14 0.43 0.08 -0.16 -4.99 117.98 117.68 1unq s PHE 55 Ca 0.05 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.57 1unq s PHE 55 Cb -0.13 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 1unq s PHE 55 CO -0.14 0.42 -0.20 0.45 -0.10 0.00 0.00 175.22 175.64 1unq s SER 56 N -3.39 3.28 0.00 1.36 0.15 -1.26 -0.96 113.70 112.88 1unq s SER 56 Ca 0.26 -0.55 0.19 0.00 0.70 0.00 0.00 55.95 56.55 1unq s SER 56 Cb -0.00 -1.47 0.55 0.00 -1.71 0.00 0.00 66.02 63.38 1unq s SER 56 CO 0.10 0.10 1.44 1.33 1.20 0.00 0.00 173.24 177.41 1unq n VAL 57 N 3.93 0.43 -1.66 4.45 0.24 0.09 -4.38 118.33 121.44 1unq n VAL 57 Ca -0.19 -0.55 -0.47 0.00 -2.04 0.00 0.00 64.34 61.09 1unq n VAL 57 Cb 0.52 0.51 -0.04 0.00 -1.47 0.00 0.00 33.84 33.36 1unq n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1unq n ALA 58 N 0.83 0.94 -1.91 2.33 0.00 -1.26 -1.70 120.51 119.74 1unq n ALA 58 Ca 0.17 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.86 1unq n ALA 58 Cb 0.43 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.53 1unq n ALA 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1unq n GLN 59 N 2.97 -1.56 -1.40 0.00 6.02 -1.26 -4.65 117.38 117.49 1unq n GLN 59 Ca 0.16 1.08 -0.31 0.00 -0.01 0.00 0.00 57.00 57.93 1unq n GLN 59 Cb 0.28 -5.57 0.08 0.00 1.02 0.00 0.00 30.24 26.06 1unq n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1unq s GLN 61 N -5.00 2.82 -0.16 0.00 -0.21 -0.18 -4.98 119.66 111.95 1unq s GLN 61 Ca 0.60 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 55.42 1unq s GLN 61 Cb -0.16 -2.69 0.03 0.00 1.00 0.00 0.00 33.01 31.19 1unq s GLN 61 CO 0.56 0.64 -0.12 -0.51 -2.12 0.00 0.00 175.29 173.73 1unq s LEU 62 N -1.39 1.80 -0.10 2.90 1.43 -1.26 -1.10 118.68 120.96 1unq s LEU 62 Ca 0.18 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1unq s LEU 62 Cb -0.11 -1.16 -0.00 0.00 0.03 0.00 0.00 46.19 44.94 1unq s LEU 62 CO 0.08 -0.09 -0.22 -0.04 0.23 0.00 0.00 176.35 176.31 1unq s MET 63 N 1.49 3.00 -0.20 1.70 -1.94 -0.06 -4.97 119.30 118.31 1unq s MET 63 Ca 0.03 -0.85 -0.10 0.00 -1.71 0.00 0.00 55.69 53.06 1unq s MET 63 Cb -0.14 -2.33 -0.05 0.00 2.01 0.00 0.00 34.83 34.33 1unq s MET 63 CO -0.10 0.23 0.13 0.15 -0.01 0.00 0.00 175.02 175.41 1unq s LYS 64 N 0.24 4.15 0.18 2.03 1.02 -1.26 -0.45 119.74 125.65 1unq s LYS 64 Ca -0.15 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 55.62 1unq s LYS 64 Cb -0.17 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 1unq s LYS 64 CO 0.07 0.27 0.01 0.95 -0.92 0.00 0.00 175.35 175.74 1unq s THR 65 N 0.43 0.66 0.00 2.17 -4.23 -0.44 -5.00 115.64 109.23 1unq s THR 65 Ca 0.07 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1unq s THR 65 Cb -0.11 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1unq s THR 65 CO -0.01 -0.43 0.76 -0.62 -0.54 0.00 0.00 174.62 173.77 1unq n GLU 66 N -0.26 1.32 -4.55 3.99 -0.58 -1.26 -2.10 120.64 117.20 1unq n GLU 66 Ca -0.06 -1.03 -0.22 0.00 -0.42 0.00 0.00 57.16 55.43 1unq n GLU 66 Cb 0.63 -0.95 -0.15 0.00 -0.57 0.00 0.00 31.44 30.40 1unq n GLU 66 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1unq s ARG 67 N -0.55 1.16 0.26 3.49 1.81 -1.26 -2.63 118.95 121.22 1unq s ARG 67 Ca 0.00 -0.43 0.26 0.00 -1.72 0.00 0.00 55.73 53.84 1unq s ARG 67 Cb 0.00 -1.07 0.81 0.00 -0.45 0.00 0.00 34.95 34.24 1unq s ARG 67 CO 0.00 0.20 1.75 -1.00 -0.68 0.00 0.00 175.30 175.58 1unq h PRO 68 N 6.14 0.00 -6.02 3.54 0.13 -2.01 -3.49 132.00 130.29 1unq h PRO 68 Ca -0.33 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.27 1unq h PRO 68 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 1unq h PRO 68 CO 0.49 0.00 -0.81 1.03 -0.23 0.00 0.00 178.00 178.47 1unq s ARG 69 N -3.17 1.10 0.74 0.86 0.52 -1.24 -5.13 118.95 112.63 1unq s ARG 69 Ca 0.09 -1.17 -0.16 0.00 -0.52 0.00 0.00 55.73 53.97 1unq s ARG 69 Cb 0.11 -1.30 0.00 0.00 0.52 0.00 0.00 34.95 34.28 1unq s ARG 69 CO 0.57 0.30 0.81 -2.30 0.02 0.00 0.00 175.30 174.69 1unq n PRO 70 N 0.99 0.36 -2.04 3.54 -0.02 -1.08 -3.56 135.00 133.19 1unq n PRO 70 Ca -0.19 0.17 -0.10 0.00 -2.02 0.00 0.00 63.50 61.36 1unq n PRO 70 Cb 0.54 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 1unq n PRO 70 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1unq n ASN 71 N -1.36 -3.61 -4.87 2.55 3.02 -1.24 -4.86 115.26 104.90 1unq n ASN 71 Ca 0.12 0.04 -0.32 0.00 -0.03 0.00 0.00 54.58 54.39 1unq n ASN 71 Cb 0.50 -2.71 -0.05 0.00 -0.61 0.00 0.00 39.78 36.91 1unq n ASN 71 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1unq s THR 72 N -2.50 4.86 0.03 3.41 2.01 -0.89 -2.99 115.64 119.56 1unq s THR 72 Ca 0.00 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.60 1unq s THR 72 Cb 0.00 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1unq s THR 72 CO 0.00 -0.15 -0.05 0.72 -0.69 0.00 0.00 174.62 174.45 1unq s PHE 73 N -1.92 0.43 -0.09 4.92 -0.71 0.05 -1.33 117.98 119.33 1unq s PHE 73 Ca 0.49 -0.43 0.04 0.00 -1.04 0.00 0.00 56.93 56.00 1unq s PHE 73 Cb -0.11 -0.27 -0.01 0.00 -1.21 0.00 0.00 43.02 41.42 1unq s PHE 73 CO 0.21 -0.11 -0.23 0.42 -1.34 0.00 0.00 175.22 174.17 1unq s ILE 74 N -1.17 2.15 -0.19 -4.49 1.01 0.40 -0.66 121.20 118.26 1unq s ILE 74 Ca -0.10 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.46 1unq s ILE 74 Cb -0.08 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 1unq s ILE 74 CO -0.00 0.56 0.10 -0.63 0.00 0.00 0.00 174.94 174.96 1unq s ILE 75 N 0.15 5.09 -0.25 2.92 1.01 -0.19 -0.89 121.20 129.05 1unq s ILE 75 Ca -0.13 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 1unq s ILE 75 Cb -0.16 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 1unq s ILE 75 CO 0.07 0.45 0.02 -0.60 0.00 0.00 0.00 174.94 174.88 1unq s ARG 76 N 0.37 3.32 0.23 2.79 3.52 -0.26 -1.46 118.95 127.46 1unq s ARG 76 Ca 0.05 -0.68 -0.06 0.00 -0.13 0.00 0.00 55.73 54.91 1unq s ARG 76 Cb -0.12 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 1unq s ARG 76 CO -0.01 -0.28 0.29 0.00 -0.81 0.00 0.00 175.30 174.49 1unq s LEU 78 N -3.11 4.14 -0.46 0.00 2.96 -1.26 -0.72 118.68 120.23 1unq s LEU 78 Ca 0.32 0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 54.45 1unq s LEU 78 Cb 0.03 -2.26 0.12 0.00 0.50 0.00 0.00 46.19 44.59 1unq s LEU 78 CO 0.12 0.02 0.29 -1.58 -1.32 0.00 0.00 176.35 173.87 1unq s GLN 79 N 1.09 2.25 2.68 1.98 2.00 0.52 -4.54 119.66 125.64 1unq s GLN 79 Ca 0.12 -1.88 0.00 0.00 -2.00 0.00 0.00 55.36 51.60 1unq s GLN 79 Cb -0.14 -3.73 0.00 0.00 0.80 0.00 0.00 33.01 29.94 1unq s GLN 79 CO 0.05 -1.13 0.00 1.87 -0.50 0.00 0.00 175.29 175.58 1unq n TRP 80 N 4.59 0.00 -0.16 1.67 -0.00 -1.26 -1.28 117.44 121.00 1unq n TRP 80 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.47 1unq n TRP 80 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.72 1unq n TRP 80 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 1unq n THR 81 N 0.00 0.67 -4.68 5.87 -2.24 -1.26 -5.03 114.28 107.61 1unq n THR 81 Ca 0.00 -0.76 -0.33 0.00 -2.27 0.00 0.00 64.05 60.69 1unq n THR 81 Cb 0.00 0.70 -0.14 0.00 -2.10 0.00 0.00 70.33 68.78 1unq n THR 81 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1unq s THR 82 N -0.67 3.11 0.09 4.28 2.01 -0.40 -5.09 115.64 118.96 1unq s THR 82 Ca 0.00 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 1unq s THR 82 Cb 0.00 -2.32 -0.06 0.00 0.01 0.00 0.00 72.50 70.14 1unq s THR 82 CO 0.00 0.52 1.08 -0.69 -0.69 0.00 0.00 174.62 174.84 1unq s VAL 83 N 0.44 4.26 0.21 3.82 1.01 -1.26 -0.35 120.40 128.53 1unq s VAL 83 Ca -0.09 1.75 0.07 0.00 0.00 0.00 0.00 61.98 63.70 1unq s VAL 83 Cb -0.16 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1unq s VAL 83 CO 0.05 0.20 -0.11 0.27 0.00 0.00 0.00 175.10 175.51 1unq s ILE 84 N 0.50 1.57 -0.02 2.22 -4.36 0.10 -4.94 121.20 116.28 1unq s ILE 84 Ca 0.52 -2.16 0.06 0.00 -0.26 0.00 0.00 60.65 58.81 1unq s ILE 84 Cb -0.26 -2.08 -0.01 0.00 1.25 0.00 0.00 42.46 41.35 1unq s ILE 84 CO 0.31 -0.57 -0.20 -1.61 0.24 0.00 0.00 174.94 173.11 1unq s GLU 85 N -3.69 1.65 -0.00 0.37 2.02 -1.26 -1.17 118.70 116.62 1unq s GLU 85 Ca 0.23 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.54 1unq s GLU 85 Cb 0.01 -1.57 -0.01 0.00 0.10 0.00 0.00 34.13 32.66 1unq s GLU 85 CO 0.06 0.41 -0.09 1.03 0.02 0.00 0.00 175.26 176.69 1unq s ARG 86 N -0.41 0.69 -0.10 1.61 1.81 -0.53 -4.99 118.95 117.03 1unq s ARG 86 Ca 0.06 -0.35 0.02 0.00 -1.72 0.00 0.00 55.73 53.73 1unq s ARG 86 Cb -0.08 -0.65 -0.02 0.00 -0.45 0.00 0.00 34.95 33.75 1unq s ARG 86 CO -0.00 0.18 -0.15 0.99 -0.68 0.00 0.00 175.30 175.63 1unq s THR 87 N -0.30 2.90 0.12 0.02 2.01 -1.26 -1.02 115.64 118.11 1unq s THR 87 Ca 0.02 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.33 1unq s THR 87 Cb -0.04 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1unq s THR 87 CO -0.00 0.55 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.01 1unq s PHE 88 N 0.03 1.23 -0.02 4.92 0.40 0.17 -0.92 117.98 123.79 1unq s PHE 88 Ca -0.05 -0.67 -0.02 0.00 -0.60 0.00 0.00 56.93 55.59 1unq s PHE 88 Cb -0.15 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.75 1unq s PHE 88 CO 0.04 0.07 0.05 -1.58 0.70 0.00 0.00 175.22 174.51 1unq s HIS 89 N -2.72 -0.05 0.32 0.36 2.46 0.26 -0.77 115.29 115.14 1unq s HIS 89 Ca 0.11 0.15 0.03 0.00 0.47 0.00 0.00 55.06 55.82 1unq s HIS 89 Cb -0.01 -0.01 -0.05 0.00 -0.13 0.00 0.00 32.58 32.38 1unq s HIS 89 CO 0.01 -0.04 0.09 0.14 -2.47 0.00 0.00 174.74 172.47 1unq s VAL 90 N 0.18 0.84 -0.95 0.89 -7.23 -1.16 -1.74 120.40 111.23 1unq s VAL 90 Ca -0.01 -2.00 0.25 0.00 -1.81 0.00 0.00 61.98 58.41 1unq s VAL 90 Cb -0.02 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.29 1unq s VAL 90 CO -0.01 0.00 1.44 -0.62 -0.31 0.00 0.00 175.10 175.60 1unq n GLU 91 N -0.65 0.04 -4.02 4.82 -0.58 -1.26 -4.73 120.64 114.26 1unq n GLU 91 Ca -0.02 0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.65 1unq n GLU 91 Cb 0.66 -1.53 -0.10 0.00 -0.57 0.00 0.00 31.44 29.90 1unq n GLU 91 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1unq s THR 92 N -3.02 0.16 0.39 2.62 -4.23 -1.26 -5.03 115.64 105.26 1unq s THR 92 Ca 0.10 -1.31 0.12 0.00 -1.18 0.00 0.00 61.69 59.42 1unq s THR 92 Cb 0.17 -0.88 0.13 0.00 1.34 0.00 0.00 72.50 73.26 1unq s THR 92 CO 0.69 -0.72 1.88 1.55 -0.54 0.00 0.00 174.62 177.48 1unq h PRO 93 N 3.87 0.08 -0.63 3.99 0.13 -1.93 -2.07 132.00 135.44 1unq h PRO 93 Ca -0.33 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1unq h PRO 93 Cb 1.18 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1unq h PRO 93 CO 0.53 0.34 0.12 0.93 -0.23 0.00 0.00 178.00 179.69 1unq h GLU 94 N 0.08 1.04 -0.48 0.86 3.07 -1.99 -0.71 114.58 116.45 1unq h GLU 94 Ca 0.01 -0.27 -0.13 0.00 -0.50 0.00 0.00 59.36 58.47 1unq h GLU 94 Cb 0.51 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1unq h GLU 94 CO 0.04 0.96 -0.21 0.93 -1.40 0.00 0.00 179.01 179.33 1unq h GLU 95 N 0.95 0.97 -0.55 2.33 5.08 -1.93 -1.28 114.58 120.15 1unq h GLU 95 Ca 0.19 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1unq h GLU 95 Cb 0.41 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1unq h GLU 95 CO 0.01 1.08 0.32 -0.09 -1.00 0.00 0.00 179.01 179.32 1unq h ARG 96 N 0.84 0.75 -0.83 2.33 2.43 -1.09 -2.02 114.38 116.79 1unq h ARG 96 Ca 0.11 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1unq h ARG 96 Cb 0.78 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 1unq h ARG 96 CO 0.06 0.56 0.43 1.49 -1.51 0.00 0.00 179.97 181.00 1unq h GLU 97 N 0.73 1.17 -0.54 0.20 4.57 -0.87 -0.37 114.58 119.47 1unq h GLU 97 Ca 0.19 -0.15 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1unq h GLU 97 Cb 0.01 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.34 1unq h GLU 97 CO -0.03 0.88 0.30 0.93 -1.18 0.00 0.00 179.01 179.90 1unq h GLU 98 N 1.16 0.57 -0.13 1.92 5.08 -0.87 0.11 114.58 122.42 1unq h GLU 98 Ca 0.29 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1unq h GLU 98 Cb 0.07 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1unq h GLU 98 CO -0.04 0.38 -0.08 -1.49 -1.00 0.00 0.00 179.01 176.78 1unq h TRP 99 N 0.59 0.33 -0.50 4.33 4.06 -0.92 -1.44 115.95 122.40 1unq h TRP 99 Ca 0.23 -0.09 -0.10 0.00 2.06 0.00 0.00 58.89 60.99 1unq h TRP 99 Cb 0.08 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 1unq h TRP 99 CO -0.08 0.63 -0.08 1.79 -3.56 0.00 0.00 178.44 177.14 1unq h THR 100 N -0.07 1.26 -0.56 1.49 1.35 -0.98 -1.17 112.91 114.24 1unq h THR 100 Ca 0.03 -1.18 -0.11 0.00 -0.55 0.00 0.00 66.41 64.59 1unq h THR 100 Cb 0.55 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.92 1unq h THR 100 CO 0.02 0.41 -0.10 0.74 -0.25 0.00 0.00 175.52 176.35 1unq h THR 101 N 0.81 1.27 -0.32 6.82 2.02 -0.99 -0.63 112.91 121.89 1unq h THR 101 Ca 0.14 -1.26 0.01 0.00 0.77 0.00 0.00 66.41 66.06 1unq h THR 101 Cb 0.60 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1unq h THR 101 CO 0.04 0.45 0.20 0.00 0.37 0.00 0.00 175.52 176.57 1unq h ALA 102 N 0.94 0.40 -0.46 6.16 0.00 -0.95 0.19 119.26 125.54 1unq h ALA 102 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1unq h ALA 102 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1unq h ALA 102 CO 0.05 -0.16 0.25 0.82 0.00 0.00 0.00 179.25 180.21 1unq h ILE 103 N 0.40 1.17 -0.86 0.00 2.04 -1.09 -1.71 117.51 117.45 1unq h ILE 103 Ca 0.12 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1unq h ILE 103 Cb -0.02 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1unq h ILE 103 CO -0.05 0.18 0.42 -0.61 0.00 0.00 0.00 178.15 178.10 1unq h GLN 104 N 0.61 1.24 -0.63 2.37 5.75 -0.79 -0.70 115.11 122.96 1unq h GLN 104 Ca 0.16 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1unq h GLN 104 Cb 0.06 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 1unq h GLN 104 CO -0.03 0.94 0.38 1.15 -2.65 0.00 0.00 178.83 178.63 1unq h THR 105 N 1.23 1.18 -0.34 2.39 2.02 -0.64 0.12 112.91 118.87 1unq h THR 105 Ca 0.30 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1unq h THR 105 Cb 0.11 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1unq h THR 105 CO -0.04 0.19 0.14 0.58 0.37 0.00 0.00 175.52 176.76 1unq h VAL 106 N 0.85 1.18 -0.82 3.16 2.07 -0.95 -1.26 116.25 120.48 1unq h VAL 106 Ca 0.23 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1unq h VAL 106 Cb -0.02 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1unq h VAL 106 CO -0.04 0.19 0.54 0.00 0.02 0.00 0.00 177.57 178.28 1unq h ALA 107 N 0.99 1.05 -0.85 1.67 0.00 -0.78 -1.59 119.26 119.74 1unq h ALA 107 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1unq h ALA 107 Cb 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1unq h ALA 107 CO -0.01 0.42 0.46 -0.44 0.00 0.00 0.00 179.25 179.67 1unq h ASP 108 N 1.08 1.07 -0.54 0.00 3.32 -0.49 -1.15 116.42 119.71 1unq h ASP 108 Ca 0.31 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 1unq h ASP 108 Cb -0.09 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 1unq h ASP 108 CO -0.08 0.87 -0.08 1.23 -1.72 0.00 0.00 179.24 179.46 1unq h GLY 109 N 1.21 1.11 1.19 2.75 0.00 -0.53 -1.13 103.07 107.68 1unq h GLY 109 Ca 0.30 -0.88 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 1unq h GLY 109 CO -0.05 0.80 0.17 1.41 0.00 0.00 0.00 176.54 178.88 1unq h LEU 110 N 0.92 0.94 -0.53 3.11 3.38 -0.98 -1.22 115.31 120.93 1unq h LEU 110 Ca 0.15 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1unq h LEU 110 Cb 0.65 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1unq h LEU 110 CO 0.04 0.90 -0.24 0.50 0.09 0.00 0.00 178.44 179.74 1unq h LYS 111 N 0.96 0.93 -0.85 1.13 1.63 -0.81 -1.84 116.57 117.72 1unq h LYS 111 Ca 0.21 -0.41 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 1unq h LYS 111 Cb 0.32 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.88 1unq h LYS 111 CO -0.00 1.07 0.46 -0.22 -3.45 0.00 0.00 179.45 177.30 1unq h LYS 112 N 0.80 1.18 -0.91 1.90 3.64 -1.03 -0.48 116.57 121.67 1unq h LYS 112 Ca 0.10 -0.14 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1unq h LYS 112 Cb 0.80 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 1unq h LYS 112 CO 0.07 0.87 0.56 1.96 -2.27 0.00 0.00 179.45 180.64 1unq h GLN 113 N 1.18 0.94 -0.58 1.90 4.20 -1.01 0.06 115.11 121.81 1unq h GLN 113 Ca 0.30 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 1unq h GLN 113 Cb 0.03 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1unq h GLN 113 CO -0.05 0.62 0.12 1.49 -0.67 0.00 0.00 178.83 180.34 1unq h GLU 114 N 0.97 0.95 -0.13 1.46 4.81 -0.65 -2.27 114.58 119.72 1unq h GLU 114 Ca 0.41 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1unq h GLU 114 Cb 0.28 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1unq h GLU 114 CO -0.21 0.89 -0.24 0.93 -0.73 0.00 0.00 179.01 179.65 1unq h GLU 115 N 0.85 0.22 -7.21 1.92 5.08 -0.44 -3.43 114.58 111.56 1unq h GLU 115 Ca 0.18 -0.07 -0.48 0.00 -1.00 0.00 0.00 59.36 57.99 1unq h GLU 115 Cb 0.38 -0.02 0.06 0.00 0.50 0.00 0.00 28.75 29.68 1unq h GLU 115 CO 0.01 0.46 0.23 -1.21 -1.00 0.00 0.00 179.01 177.49 1unq s GLU 116 N -4.49 2.82 0.00 2.33 2.02 -0.05 -5.10 118.70 116.22 1unq s GLU 116 Ca -0.05 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.00 1unq s GLU 116 Cb 0.15 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 32.17 1unq s GLU 116 CO 0.74 -0.83 0.00 -1.91 0.02 0.00 0.00 175.26 173.28