#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jns s SER 2 N 0.00 6.87 -0.03 1.61 0.01 -1.26 -5.01 113.70 115.89 2jns s SER 2 Ca 0.00 1.06 -0.28 0.00 1.31 0.00 0.00 55.95 58.03 2jns s SER 2 Cb 0.00 -2.46 0.06 0.00 0.21 0.00 0.00 66.02 63.83 2jns s SER 2 CO 0.00 -0.58 0.62 -0.55 0.41 0.00 0.00 173.24 173.14 2jns s SER 3 N 1.37 -0.59 0.32 2.44 0.15 -1.26 -5.14 113.70 110.99 2jns s SER 3 Ca 0.37 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.62 2jns s SER 3 Cb -0.15 0.51 -0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2jns s SER 3 CO 0.08 -0.61 0.01 0.61 1.20 0.00 0.00 173.24 174.53 2jns n GLY 4 N 0.89 3.77 0.18 9.45 0.00 -1.26 -5.05 105.19 113.18 2jns n GLY 4 Ca -0.19 -2.29 -0.05 0.00 0.00 0.00 0.00 46.02 43.49 2jns n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jns h SER 5 N 0.81 0.27 -5.11 1.61 0.87 -2.06 -3.46 113.55 106.49 2jns h SER 5 Ca -0.27 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.43 2jns h SER 5 Cb 0.82 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.70 2jns h SER 5 CO 0.44 0.20 0.31 -0.94 -0.53 0.00 0.00 176.83 176.31 2jns s SER 6 N -5.44 -0.23 0.00 6.23 1.04 -1.26 -5.18 113.70 108.86 2jns s SER 6 Ca -0.13 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.75 2jns s SER 6 Cb 0.13 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.90 2jns s SER 6 CO 0.72 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2jns n GLY 7 N -0.47 -0.42 3.59 7.32 0.00 -1.26 -5.06 105.19 108.89 2jns n GLY 7 Ca -0.05 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2jns n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jns s GLU 8 N -2.00 3.45 -1.31 1.61 2.02 -1.26 -4.90 118.70 116.31 2jns s GLU 8 Ca 0.00 0.70 -0.10 0.00 0.02 0.00 0.00 54.97 55.59 2jns s GLU 8 Cb 0.00 -4.07 -0.06 0.00 0.10 0.00 0.00 34.13 30.10 2jns s GLU 8 CO 0.00 -1.74 2.50 0.43 0.02 0.00 0.00 175.26 176.48 2jns n SER 9 N 9.16 6.30 0.29 -0.19 7.64 -1.26 -4.60 113.62 130.96 2jns n SER 9 Ca 0.15 -2.55 0.15 0.00 1.01 0.00 0.00 58.87 57.63 2jns n SER 9 Cb 0.49 -1.39 0.86 0.00 -1.01 0.00 0.00 64.21 63.15 2jns n SER 9 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2jns h GLU 10 N 5.81 0.00 0.00 1.43 4.39 -2.00 -0.82 114.58 123.39 2jns h GLU 10 Ca 0.67 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.33 2jns h GLU 10 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2jns h GLU 10 CO 1.72 0.05 -0.23 0.93 -1.16 0.00 0.00 179.01 180.31 2jns h GLU 11 N 0.00 0.00 0.12 2.33 3.07 -2.00 -3.32 114.58 114.78 2jns h GLU 11 Ca -0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 2jns h GLU 11 Cb 0.14 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.07 2jns h GLU 11 CO 0.01 0.23 -1.22 1.49 -1.40 0.00 0.00 179.01 178.12 2jns h GLU 12 N 0.00 0.50 -1.21 2.33 4.81 -1.52 -3.32 114.58 116.17 2jns h GLU 12 Ca -0.00 -0.70 0.00 0.00 -0.13 0.00 0.00 59.36 58.53 2jns h GLU 12 Cb 1.00 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2jns h GLU 12 CO 0.03 1.31 0.00 -3.47 -0.73 0.00 0.00 179.01 176.15 2jns n ASP 13 N -3.72 1.98 -4.45 1.04 2.03 -1.23 -4.78 116.55 107.42 2jns n ASP 13 Ca -0.12 -1.44 -0.22 0.00 0.52 0.00 0.00 54.79 53.53 2jns n ASP 13 Cb 0.98 -0.36 -0.10 0.00 -0.72 0.00 0.00 41.12 40.92 2jns n ASP 13 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2jns s LYS 14 N 0.12 1.59 -0.05 -0.67 1.02 -1.25 -5.12 119.74 115.38 2jns s LYS 14 Ca 0.00 -1.80 0.05 0.00 0.02 0.00 0.00 55.97 54.24 2jns s LYS 14 Cb 0.00 -1.31 -0.01 0.00 -0.52 0.00 0.00 37.83 35.99 2jns s LYS 14 CO 0.00 0.10 -0.19 0.00 -0.92 0.00 0.00 175.35 174.33 2jns s LYS 16 N -0.04 2.31 -0.14 0.00 -0.14 -1.26 -4.95 119.74 115.53 2jns s LYS 16 Ca -0.03 -1.54 -0.29 0.00 -1.36 0.00 0.00 55.97 52.75 2jns s LYS 16 Cb -0.12 -2.14 -0.05 0.00 -1.68 0.00 0.00 37.83 33.84 2jns s LYS 16 CO 0.02 0.19 1.86 -1.25 -0.76 0.00 0.00 175.35 175.41 2jns s PRO 17 N -3.78 3.76 -0.42 -1.68 0.04 -1.26 -4.75 135.00 126.92 2jns s PRO 17 Ca 0.35 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 2jns s PRO 17 Cb -0.03 -4.15 0.02 0.00 0.04 0.00 0.00 34.50 30.38 2jns s PRO 17 CO 0.21 -1.36 1.17 -1.64 0.04 0.00 0.00 177.00 175.43 2jns s MET 18 N 4.97 3.80 0.97 4.56 -1.94 -1.26 -5.02 119.30 125.38 2jns s MET 18 Ca 0.83 0.79 -0.12 0.00 -1.71 0.00 0.00 55.69 55.48 2jns s MET 18 Cb -0.32 -3.88 0.17 0.00 2.01 0.00 0.00 34.83 32.80 2jns s MET 18 CO 0.34 -1.27 1.11 -1.12 -0.01 0.00 0.00 175.02 174.06 2jns s SER 19 N 2.49 2.95 0.25 3.03 0.01 -1.26 -4.80 113.70 116.37 2jns s SER 19 Ca 0.50 1.11 -0.05 0.00 1.31 0.00 0.00 55.95 58.82 2jns s SER 19 Cb -0.10 -1.75 0.31 0.00 0.21 0.00 0.00 66.02 64.70 2jns s SER 19 CO 0.27 -2.92 1.90 0.22 0.41 0.00 0.00 173.24 173.13 2jns h TYR 20 N -1.75 1.19 -0.44 2.43 3.20 -1.99 -1.36 116.97 118.25 2jns h TYR 20 Ca -0.53 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.30 2jns h TYR 20 Cb 1.33 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 2jns h TYR 20 CO 0.29 0.69 0.02 0.93 -1.64 0.00 0.00 178.16 178.45 2jns h GLU 21 N 1.23 0.77 0.01 1.82 3.07 -1.99 -1.16 114.58 118.33 2jns h GLU 21 Ca 0.39 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2jns h GLU 21 Cb -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2jns h GLU 21 CO -0.12 0.82 -0.01 0.93 -1.40 0.00 0.00 179.01 179.23 2jns h GLU 22 N 0.62 -0.02 -0.17 2.33 4.39 -1.79 -0.78 114.58 119.15 2jns h GLU 22 Ca 0.13 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.88 2jns h GLU 22 Cb 0.46 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 2jns h GLU 22 CO 0.02 0.20 -0.16 0.87 -1.16 0.00 0.00 179.01 178.78 2jns h LYS 23 N -0.23 -0.17 -0.18 2.33 1.57 -1.17 -1.49 116.57 117.23 2jns h LYS 23 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2jns h LYS 23 Cb 0.22 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2jns h LYS 23 CO 0.00 -0.12 0.06 0.00 -0.57 0.00 0.00 179.45 178.83 2jns h ARG 24 N -0.18 0.28 -0.76 3.15 2.47 -1.16 -2.37 114.38 115.81 2jns h ARG 24 Ca 0.11 -0.06 0.10 0.00 -1.26 0.00 0.00 59.98 58.88 2jns h ARG 24 Cb 0.34 -0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.55 2jns h ARG 24 CO -0.28 0.38 0.39 0.37 0.56 0.00 0.00 179.97 181.39 2jns h GLN 25 N 0.12 0.62 -0.45 0.04 5.75 -0.86 -0.99 115.11 119.34 2jns h GLN 25 Ca 0.06 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 2jns h GLN 25 Cb 0.22 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 2jns h GLN 25 CO -0.00 0.41 0.25 1.25 -2.65 0.00 0.00 178.83 178.09 2jns h LEU 26 N 0.64 0.39 -1.11 -2.39 6.46 -1.13 -2.36 115.31 115.80 2jns h LEU 26 Ca 0.38 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 58.18 2jns h LEU 26 Cb 0.42 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.23 2jns h LEU 26 CO -0.28 0.28 0.60 -1.28 -0.62 0.00 0.00 178.44 177.14 2jns h SER 27 N 0.50 1.00 -0.37 1.25 0.87 -0.68 -1.38 113.55 114.74 2jns h SER 27 Ca 0.19 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 2jns h SER 27 Cb 0.05 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 2jns h SER 27 CO -0.10 0.69 0.13 -0.07 -0.53 0.00 0.00 176.83 176.95 2jns h LEU 28 N 1.16 0.53 -0.87 2.23 -0.00 -0.80 -2.61 115.31 114.94 2jns h LEU 28 Ca 0.36 -0.19 -0.11 0.00 -0.00 0.00 0.00 57.88 57.94 2jns h LEU 28 Cb -0.00 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 2jns h LEU 28 CO -0.11 0.57 -0.35 0.44 -0.00 0.00 0.00 178.44 179.00 2jns h ASP 29 N 0.45 0.42 -0.93 -0.43 3.32 -1.18 -2.73 116.42 115.35 2jns h ASP 29 Ca 0.12 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.02 2jns h ASP 29 Cb 0.22 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 2jns h ASP 29 CO -0.01 0.75 0.62 0.40 -1.72 0.00 0.00 179.24 179.28 2jns h ILE 30 N 0.35 1.22 0.00 0.35 2.04 -1.04 -1.00 117.51 119.43 2jns h ILE 30 Ca 0.04 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2jns h ILE 30 Cb 0.78 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2jns h ILE 30 CO 0.06 0.23 0.00 0.59 0.00 0.00 0.00 178.15 179.03 2jns n ASN 31 N -4.41 0.00 -0.05 1.72 3.02 -1.01 -2.09 115.26 112.45 2jns n ASN 31 Ca 0.11 -0.47 0.11 0.00 -0.03 0.00 0.00 54.58 54.30 2jns n ASN 31 Cb 0.04 -0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.21 2jns n ASN 31 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jns n LYS 32 N -1.02 0.14 -3.19 3.52 4.76 -0.38 -4.96 118.16 117.04 2jns n LYS 32 Ca 0.12 -0.11 -0.33 0.00 -2.87 0.00 0.00 58.31 55.12 2jns n LYS 32 Cb 0.06 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.69 2jns n LYS 32 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jns s LEU 33 N -2.93 4.12 0.77 -0.35 1.43 -0.89 -5.08 118.68 115.74 2jns s LEU 33 Ca 0.10 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.32 2jns s LEU 33 Cb 0.17 -3.94 0.05 0.00 0.03 0.00 0.00 46.19 42.50 2jns s LEU 33 CO 0.78 -0.15 1.08 -2.16 0.23 0.00 0.00 176.35 176.13 2jns s PRO 34 N -2.82 2.32 0.23 1.29 0.04 -1.26 -4.87 135.00 129.94 2jns s PRO 34 Ca 0.51 0.80 -0.06 0.00 0.04 0.00 0.00 61.00 62.29 2jns s PRO 34 Cb -0.11 -1.93 0.34 0.00 0.04 0.00 0.00 34.50 32.84 2jns s PRO 34 CO 0.18 -1.49 1.81 0.78 0.04 0.00 0.00 177.00 178.32 2jns h GLY 35 N -1.00 1.19 1.83 0.56 0.00 -1.98 -0.60 103.07 103.07 2jns h GLY 35 Ca -0.46 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 46.58 2jns h GLY 35 CO 0.58 0.15 0.07 1.05 0.00 0.00 0.00 176.54 178.38 2jns h GLU 36 N 0.77 0.00 -0.17 4.80 4.11 -2.05 -0.68 114.58 121.37 2jns h GLU 36 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 2jns h GLU 36 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2jns h GLU 36 CO -0.22 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.49 2jns n LYS 37 N -3.35 1.72 0.02 1.06 5.02 -0.27 -4.55 118.16 117.81 2jns n LYS 37 Ca -0.02 -1.72 -0.22 0.00 -2.02 0.00 0.00 58.31 54.33 2jns n LYS 37 Cb 0.15 -1.33 -0.14 0.00 -0.02 0.00 0.00 35.03 33.69 2jns n LYS 37 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2jns h LEU 38 N 3.09 0.43 -0.65 -0.35 5.85 -0.72 -3.40 115.31 119.55 2jns h LEU 38 Ca 0.00 -0.87 0.13 0.00 0.84 0.00 0.00 57.88 57.97 2jns h LEU 38 Cb 0.72 -0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.49 2jns h LEU 38 CO 0.00 1.67 -0.21 1.23 -0.34 0.00 0.00 178.44 180.79 2jns h GLY 39 N 0.25 0.35 2.00 3.75 0.00 -1.80 0.64 103.07 108.26 2jns h GLY 39 Ca -0.32 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2jns h GLY 39 CO 0.08 -0.25 0.00 -0.09 0.00 0.00 0.00 176.54 176.28 2jns h ARG 40 N -0.04 0.00 -0.16 4.80 2.43 -1.86 -1.86 114.38 117.69 2jns h ARG 40 Ca 0.30 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2jns h ARG 40 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2jns h ARG 40 CO -0.69 0.00 -0.02 0.28 -1.51 0.00 0.00 179.97 178.03 2jns h VAL 41 N 0.00 1.27 -0.49 0.20 2.07 -1.07 -2.83 116.25 115.40 2jns h VAL 41 Ca 0.00 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.64 2jns h VAL 41 Cb 0.08 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2jns h VAL 41 CO 0.00 0.27 0.33 0.58 0.02 0.00 0.00 177.57 178.77 2jns h VAL 42 N 0.01 1.02 0.00 2.57 2.07 -1.41 -0.73 116.25 119.78 2jns h VAL 42 Ca 0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2jns h VAL 42 Cb 0.43 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2jns h VAL 42 CO 0.01 0.09 -0.04 0.45 0.02 0.00 0.00 177.57 178.11 2jns h HIS 43 N 0.51 0.00 -0.03 1.57 -0.00 -1.48 -1.14 115.15 114.57 2jns h HIS 43 Ca 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.55 2jns h HIS 43 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 2jns h HIS 43 CO -0.00 0.04 -0.07 0.82 -0.00 0.00 0.00 177.93 178.72 2jns h ILE 44 N 0.00 1.45 -0.45 2.45 2.04 -1.13 -3.13 117.51 118.74 2jns h ILE 44 Ca -0.00 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.43 2jns h ILE 44 Cb 0.09 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 2jns h ILE 44 CO 0.00 0.38 0.30 0.40 0.00 0.00 0.00 178.15 179.24 2jns h ILE 45 N -0.45 1.11 -0.21 -0.67 5.03 -1.36 -1.98 117.51 118.98 2jns h ILE 45 Ca -0.00 -0.21 0.06 0.00 -0.12 0.00 0.00 64.86 64.59 2jns h ILE 45 Cb 0.66 0.45 -0.01 0.00 -3.03 0.00 0.00 36.82 34.89 2jns h ILE 45 CO 0.01 0.11 0.31 1.56 -0.68 0.00 0.00 178.15 179.47 2jns h GLN 46 N 0.61 0.00 0.00 2.37 4.20 -1.27 0.36 115.11 121.38 2jns h GLN 46 Ca 0.17 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 2jns h GLN 46 Cb -0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2jns h GLN 46 CO -0.04 0.00 -0.28 1.03 -0.67 0.00 0.00 178.83 178.88 2jns h SER 47 N 0.00 0.00 0.00 1.46 0.87 -1.29 -3.24 113.55 111.35 2jns h SER 47 Ca 0.10 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.47 2jns h SER 47 Cb 0.72 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.65 2jns h SER 47 CO -0.00 0.28 -2.12 0.54 -0.53 0.00 0.00 176.83 174.99 2jns n ARG 48 N -3.45 0.80 -3.73 2.24 5.12 0.11 -4.76 116.66 112.98 2jns n ARG 48 Ca -0.00 -0.09 -0.35 0.00 -1.93 0.00 0.00 57.85 55.48 2jns n ARG 48 Cb 0.45 -1.48 -0.09 0.00 -1.16 0.00 0.00 32.46 30.18 2jns n ARG 48 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2jns s GLU 49 N -2.87 2.68 0.40 5.56 0.41 -0.14 -4.94 118.70 119.80 2jns s GLU 49 Ca -0.08 -2.78 0.08 0.00 -0.41 0.00 0.00 54.97 51.78 2jns s GLU 49 Cb 0.09 -3.73 0.86 0.00 -1.78 0.00 0.00 34.13 29.57 2jns s GLU 49 CO 0.80 -1.20 2.02 -1.00 -0.49 0.00 0.00 175.26 175.39 2jns h PRO 50 N 6.62 0.56 0.00 0.39 0.13 -1.86 -1.63 132.00 136.21 2jns h PRO 50 Ca 0.03 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jns h PRO 50 Cb 0.90 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 2jns h PRO 50 CO 0.74 0.37 -0.01 0.77 -0.23 0.00 0.00 178.00 179.64 2jns h SER 51 N 0.58 0.00 -0.01 1.44 0.02 -1.92 -2.45 113.55 111.21 2jns h SER 51 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2jns h SER 51 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2jns h SER 51 CO -0.06 0.01 -0.17 0.18 -1.14 0.00 0.00 176.83 175.65 2jns n LEU 52 N -3.25 1.69 -0.24 5.07 7.99 -0.63 -4.70 117.00 122.94 2jns n LEU 52 Ca -0.03 -0.85 0.08 0.00 -0.01 0.00 0.00 56.01 55.20 2jns n LEU 52 Cb 0.11 0.00 0.34 0.00 -0.11 0.00 0.00 43.42 43.76 2jns n LEU 52 CO 0.23 0.32 1.22 0.50 -1.51 0.00 0.00 177.39 178.15 2jns h LYS 53 N 1.92 0.77 0.00 3.23 3.64 -1.28 -2.58 116.57 122.27 2jns h LYS 53 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jns h LYS 53 Cb 0.49 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2jns h LYS 53 CO 0.00 0.51 -0.68 -0.91 -2.27 0.00 0.00 179.45 176.09 2jns h ASN 54 N 0.79 0.00 -4.03 4.20 2.35 -1.84 -3.47 115.58 113.58 2jns h ASN 54 Ca 0.38 -0.12 -0.50 0.00 -0.55 0.00 0.00 56.30 55.50 2jns h ASN 54 Cb 0.41 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.85 2jns h ASN 54 CO -0.15 0.06 0.46 -0.44 -1.65 0.00 0.00 177.43 175.71 2jns s SER 55 N -4.75 6.10 0.48 5.81 0.01 -0.97 -5.01 113.70 115.37 2jns s SER 55 Ca 0.04 2.23 -0.22 0.00 1.31 0.00 0.00 55.95 59.30 2jns s SER 55 Cb 0.11 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.68 2jns s SER 55 CO 0.74 -0.96 1.18 0.21 0.41 0.00 0.00 173.24 174.81 2jns s ASN 56 N -1.53 6.04 0.33 2.44 2.47 -1.26 -4.94 114.94 118.47 2jns s ASN 56 Ca 0.66 2.34 0.04 0.00 0.42 0.00 0.00 52.86 56.32 2jns s ASN 56 Cb -0.26 -2.60 0.57 0.00 -1.45 0.00 0.00 41.25 37.51 2jns s ASN 56 CO 0.31 -1.01 1.84 1.55 -3.72 0.00 0.00 177.10 176.07 2jns h PRO 57 N 1.91 0.49 0.00 0.43 0.13 -1.94 -2.01 132.00 131.01 2jns h PRO 57 Ca -0.50 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2jns h PRO 57 Cb 1.25 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jns h PRO 57 CO 0.60 0.57 0.00 -0.25 -0.23 0.00 0.00 178.00 178.69 2jns n ASP 58 N -4.24 0.00 -0.29 1.44 8.00 -1.26 -3.04 116.55 117.15 2jns n ASP 58 Ca 0.01 0.13 0.11 0.00 0.71 0.00 0.00 54.79 55.75 2jns n ASP 58 Cb 0.28 -0.37 0.04 0.00 -0.02 0.00 0.00 41.12 41.05 2jns n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jns n GLU 59 N -1.37 0.75 -3.92 -1.24 1.02 -0.76 -4.95 120.64 110.16 2jns n GLU 59 Ca 0.11 -0.59 -0.27 0.00 -0.02 0.00 0.00 57.16 56.39 2jns n GLU 59 Cb 0.26 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 2jns n GLU 59 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jns s ILE 60 N -2.66 5.33 -0.26 -3.67 1.01 -1.17 -4.96 121.20 114.83 2jns s ILE 60 Ca 0.16 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2jns s ILE 60 Cb 0.18 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.97 2jns s ILE 60 CO 0.66 -0.04 -0.06 -1.61 0.00 0.00 0.00 174.94 173.88 2jns s GLU 61 N -3.07 2.66 -0.50 2.79 2.02 -1.26 -5.03 118.70 116.32 2jns s GLU 61 Ca 0.35 -1.09 -0.27 0.00 0.02 0.00 0.00 54.97 53.98 2jns s GLU 61 Cb -0.11 -2.99 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 2jns s GLU 61 CO 0.28 -0.46 1.87 0.42 0.02 0.00 0.00 175.26 177.39 2jns s ILE 62 N 1.27 3.39 -0.44 -1.63 1.01 -1.26 -4.94 121.20 118.60 2jns s ILE 62 Ca -0.02 0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.84 2jns s ILE 62 Cb -0.18 -3.77 0.09 0.00 0.01 0.00 0.00 42.46 38.62 2jns s ILE 62 CO -0.04 -0.66 0.29 -1.81 0.00 0.00 0.00 174.94 172.72 2jns s ASP 63 N 7.59 5.66 0.27 3.58 1.01 -1.26 -4.93 116.67 128.58 2jns s ASP 63 Ca 0.74 -1.67 0.24 0.00 0.71 0.00 0.00 52.55 52.57 2jns s ASP 63 Cb -0.16 -1.99 1.00 0.00 1.01 0.00 0.00 42.92 42.77 2jns s ASP 63 CO 0.26 -0.60 1.72 0.49 0.21 0.00 0.00 175.17 177.25 2jns n PHE 64 N 4.91 0.85 0.23 4.23 3.01 -1.26 -2.47 117.46 126.96 2jns n PHE 64 Ca -0.09 0.33 0.11 0.00 1.01 0.00 0.00 57.45 58.81 2jns n PHE 64 Cb 0.42 -1.04 0.53 0.00 -0.01 0.00 0.00 39.48 39.38 2jns n PHE 64 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 2jns h GLU 65 N 0.00 0.00 0.00 -1.08 4.11 -2.01 -3.29 114.58 112.31 2jns h GLU 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jns h GLU 65 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2jns h GLU 65 CO 0.00 0.19 -0.89 -2.37 0.07 0.00 0.00 179.01 176.01 2jns n THR 66 N -3.41 0.00 -2.40 -1.06 5.66 -1.08 -5.02 114.28 106.98 2jns n THR 66 Ca -0.00 -0.12 -0.42 0.00 -3.05 0.00 0.00 64.05 60.46 2jns n THR 66 Cb 0.38 0.56 -0.03 0.00 -1.55 0.00 0.00 70.33 69.70 2jns n THR 66 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2jns s LEU 67 N -2.92 4.38 0.82 1.09 1.43 -1.03 -5.00 118.68 117.44 2jns s LEU 67 Ca -0.00 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 55.02 2jns s LEU 67 Cb 0.01 -3.58 0.09 0.00 0.03 0.00 0.00 46.19 42.74 2jns s LEU 67 CO 0.07 -0.47 1.19 -0.54 0.23 0.00 0.00 176.35 176.83 2jns s LYS 68 N 0.96 1.58 0.25 1.70 1.02 -1.26 -4.81 119.74 119.18 2jns s LYS 68 Ca 0.59 1.69 -0.04 0.00 0.02 0.00 0.00 55.97 58.23 2jns s LYS 68 Cb -0.30 -1.78 0.39 0.00 -0.52 0.00 0.00 37.83 35.62 2jns s LYS 68 CO 0.30 -2.24 1.84 -1.00 -0.92 0.00 0.00 175.35 173.32 2jns h PRO 69 N -1.05 0.89 -0.63 -1.68 0.13 -1.93 -1.10 132.00 126.64 2jns h PRO 69 Ca -0.46 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2jns h PRO 69 Cb 1.29 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 2jns h PRO 69 CO 0.46 0.59 0.35 0.77 -0.23 0.00 0.00 178.00 179.94 2jns h SER 70 N 0.92 0.76 -0.02 1.44 0.02 -1.91 -1.21 113.55 113.54 2jns h SER 70 Ca 0.40 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2jns h SER 70 Cb 0.29 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2jns h SER 70 CO -0.21 0.61 0.00 0.74 -1.14 0.00 0.00 176.83 176.82 2jns h THR 71 N 0.87 1.24 -0.17 -2.27 2.02 -1.56 -3.08 112.91 109.96 2jns h THR 71 Ca 0.22 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 2jns h THR 71 Cb 0.01 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2jns h THR 71 CO -0.04 0.19 -0.09 -0.07 0.37 0.00 0.00 175.52 175.89 2jns h LEU 72 N -0.26 0.24 -0.93 2.58 3.38 -1.10 -2.78 115.31 116.44 2jns h LEU 72 Ca 0.01 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.08 2jns h LEU 72 Cb 0.31 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 2jns h LEU 72 CO 0.00 0.37 0.54 0.03 0.09 0.00 0.00 178.44 179.47 2jns h ARG 73 N 0.25 0.75 -0.05 1.13 2.47 -1.13 -0.72 114.38 117.08 2jns h ARG 73 Ca 0.05 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.56 2jns h ARG 73 Cb 0.32 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 2jns h ARG 73 CO 0.02 0.50 -0.71 0.93 0.56 0.00 0.00 179.97 181.26 2jns h GLU 74 N 0.78 0.26 -0.53 0.04 4.39 -1.56 -1.82 114.58 116.14 2jns h GLU 74 Ca 0.50 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.94 2jns h GLU 74 Cb 0.66 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 2jns h GLU 74 CO -0.33 0.87 0.16 -0.07 -1.16 0.00 0.00 179.01 178.48 2jns h LEU 75 N 0.18 0.77 -0.48 1.33 3.38 -1.21 -0.29 115.31 118.99 2jns h LEU 75 Ca -0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 2jns h LEU 75 Cb 1.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2jns h LEU 75 CO 0.11 0.77 0.08 -0.08 0.09 0.00 0.00 178.44 179.42 2jns h GLU 76 N 0.72 0.79 -0.92 1.13 4.81 -1.23 -2.10 114.58 117.79 2jns h GLU 76 Ca 0.17 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2jns h GLU 76 Cb 0.28 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 2jns h GLU 76 CO -0.00 0.80 0.61 -0.09 -0.73 0.00 0.00 179.01 179.59 2jns h ARG 77 N 0.66 1.17 0.85 1.92 1.12 -1.01 -1.41 114.38 117.69 2jns h ARG 77 Ca 0.15 -0.07 -0.04 0.00 -1.11 0.00 0.00 59.98 58.90 2jns h ARG 77 Cb 0.38 -0.26 0.01 0.00 -0.01 0.00 0.00 29.97 30.09 2jns h ARG 77 CO 0.01 0.77 -0.41 -0.92 -3.11 0.00 0.00 179.97 176.32 2jns h TYR 78 N 1.21 -1.06 -0.22 2.20 3.20 -0.77 -2.78 116.97 118.75 2jns h TYR 78 Ca 0.35 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.21 2jns h TYR 78 Cb -0.07 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2jns h TYR 78 CO -0.01 -0.65 0.11 -0.39 -1.64 0.00 0.00 178.16 175.58 2jns h VAL 79 N -1.26 0.99 -0.96 1.81 -1.51 -1.29 -0.62 116.25 113.40 2jns h VAL 79 Ca -0.12 -0.08 0.17 0.00 -1.23 0.00 0.00 66.70 65.44 2jns h VAL 79 Cb 0.88 0.74 -0.10 0.00 -2.13 0.00 0.00 31.29 30.68 2jns h VAL 79 CO 0.19 0.04 0.57 0.74 -1.23 0.00 0.00 177.57 177.88 2jns h THR 80 N 0.23 0.75 0.00 7.19 2.02 -1.29 -0.99 112.91 120.82 2jns h THR 80 Ca 0.09 -0.27 -0.18 0.00 0.77 0.00 0.00 66.41 66.82 2jns h THR 80 Cb 0.02 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.31 2jns h THR 80 CO -0.06 0.14 -1.38 -1.28 0.37 0.00 0.00 175.52 173.31 2jns h SER 81 N 0.77 0.00 -0.58 4.18 0.87 -1.19 0.15 113.55 117.75 2jns h SER 81 Ca 0.53 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 61.03 2jns h SER 81 Cb 0.76 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 2jns h SER 81 CO -0.36 0.65 0.12 0.00 -0.53 0.00 0.00 176.83 176.71 2jns h LEU 83 N 0.93 0.00 -6.35 0.00 3.38 -1.31 -3.39 115.31 108.57 2jns h LEU 83 Ca 0.19 -0.14 -0.77 0.00 0.09 0.00 0.00 57.88 57.26 2jns h LEU 83 Cb 0.37 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.94 2jns h LEU 83 CO 0.01 0.65 1.78 0.54 0.09 0.00 0.00 178.44 181.51 2jns n ARG 84 N -4.71 4.16 -1.27 1.13 1.74 0.52 -4.89 116.66 113.34 2jns n ARG 84 Ca -0.04 -3.81 -0.37 0.00 -0.77 0.00 0.00 57.85 52.86 2jns n ARG 84 Cb 0.14 -2.74 -0.02 0.00 -1.02 0.00 0.00 32.46 28.81 2jns n ARG 84 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2jns n LYS 85 N 2.55 2.55 -0.00 5.56 0.00 -1.04 -4.44 118.16 123.34 2jns n LYS 85 Ca 0.42 -2.07 0.07 0.00 -0.00 0.00 0.00 58.31 56.73 2jns n LYS 85 Cb 0.32 -2.90 -0.10 0.00 -0.00 0.00 0.00 35.03 32.36 2jns n LYS 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jns n LYS 86 N 5.31 1.09 0.02 -1.58 4.76 -1.26 -4.51 118.16 121.98 2jns n LYS 86 Ca 0.56 -0.09 0.12 0.00 -2.87 0.00 0.00 58.31 56.03 2jns n LYS 86 Cb 0.30 -1.26 0.22 0.00 -1.84 0.00 0.00 35.03 32.45 2jns n LYS 86 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2jns n ARG 87 N -1.77 0.09 -3.64 1.97 3.00 -1.26 -4.99 116.66 110.05 2jns n ARG 87 Ca -0.01 0.02 -0.10 0.00 -0.00 0.00 0.00 57.85 57.76 2jns n ARG 87 Cb 0.31 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.22 2jns n ARG 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2jns n LYS 88 N -1.68 -0.77 -0.15 -0.14 3.00 -1.26 -4.94 118.16 112.22 2jns n LYS 88 Ca 0.05 -0.29 -0.03 0.00 -0.00 0.00 0.00 58.31 58.03 2jns n LYS 88 Cb 0.37 0.03 0.02 0.00 0.00 0.00 0.00 35.03 35.46 2jns n LYS 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2jns n PRO 89 N -1.76 -0.78 0.00 1.64 -0.04 -1.26 -5.26 135.00 127.55 2jns n PRO 89 Ca -0.04 -0.19 0.01 0.00 -0.04 0.00 0.00 63.50 63.24 2jns n PRO 89 Cb 0.14 -0.16 0.04 0.00 -0.04 0.00 0.00 33.50 33.48 2jns n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46