#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jns n SER 2 N 0.00 -0.66 -4.72 1.61 3.41 -1.26 -5.04 113.62 106.97 2jns n SER 2 Ca 0.00 -1.30 -0.33 0.00 -0.26 0.00 0.00 58.87 56.98 2jns n SER 2 Cb 0.00 -0.88 0.10 0.00 -0.26 0.00 0.00 64.21 63.17 2jns n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jns s SER 3 N -4.81 4.03 0.00 4.04 1.04 -1.26 -5.03 113.70 111.71 2jns s SER 3 Ca 0.64 2.25 0.00 0.00 0.48 0.00 0.00 55.95 59.32 2jns s SER 3 Cb -0.03 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2jns s SER 3 CO 0.47 -2.37 0.00 0.61 0.98 0.00 0.00 173.24 172.93 2jns n GLY 4 N 0.15 2.79 4.26 7.32 0.00 -1.26 -5.00 105.19 113.44 2jns n GLY 4 Ca 0.12 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2jns n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jns n SER 5 N 0.00 -0.24 -4.77 1.61 3.41 -1.26 -4.92 113.62 107.45 2jns n SER 5 Ca 0.00 -1.18 -0.34 0.00 -0.26 0.00 0.00 58.87 57.09 2jns n SER 5 Cb 0.00 -1.49 0.03 0.00 -0.26 0.00 0.00 64.21 62.50 2jns n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jns s SER 6 N -3.77 5.29 -0.63 4.04 0.01 -1.26 -4.28 113.70 113.10 2jns s SER 6 Ca 0.34 2.04 -0.01 0.00 1.31 0.00 0.00 55.95 59.63 2jns s SER 6 Cb -0.20 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 2jns s SER 6 CO 0.94 -1.51 0.59 0.61 0.41 0.00 0.00 173.24 174.29 2jns n GLY 7 N -0.37 -1.04 0.22 3.44 0.00 -1.26 -4.93 105.19 101.24 2jns n GLY 7 Ca 0.11 0.36 0.06 0.00 0.00 0.00 0.00 46.02 46.54 2jns n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jns h GLU 8 N 0.25 0.00 -0.98 1.61 4.81 -2.00 -3.09 114.58 115.18 2jns h GLU 8 Ca -0.05 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.76 2jns h GLU 8 Cb 1.03 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.00 2jns h GLU 8 CO 0.26 0.23 -1.01 0.43 -0.73 0.00 0.00 179.01 178.19 2jns n SER 9 N -4.12 2.82 0.07 1.04 7.64 -1.26 -4.82 113.62 114.98 2jns n SER 9 Ca -0.02 -2.98 -0.13 0.00 1.01 0.00 0.00 58.87 56.75 2jns n SER 9 Cb 0.29 -0.47 -0.14 0.00 -1.01 0.00 0.00 64.21 62.88 2jns n SER 9 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2jns h GLU 10 N 2.69 0.17 0.00 1.43 4.57 -1.90 -2.46 114.58 119.09 2jns h GLU 10 Ca 0.06 -0.30 -0.09 0.00 -1.18 0.00 0.00 59.36 57.85 2jns h GLU 10 Cb 1.18 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 2jns h GLU 10 CO 0.56 1.07 -0.90 0.39 -1.18 0.00 0.00 179.01 178.96 2jns n GLU 11 N -3.42 0.50 0.26 1.92 4.71 -1.26 -4.38 120.64 118.97 2jns n GLU 11 Ca -0.09 0.49 0.11 0.00 -0.01 0.00 0.00 57.16 57.66 2jns n GLU 11 Cb 1.01 -1.67 0.70 0.00 -1.01 0.00 0.00 31.44 30.47 2jns n GLU 11 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2jns h GLU 12 N -1.00 0.00 -6.39 3.49 3.07 -1.88 -3.47 114.58 108.40 2jns h GLU 12 Ca -0.14 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.44 2jns h GLU 12 Cb 0.85 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.76 2jns h GLU 12 CO -0.08 0.12 -0.56 -3.47 -1.40 0.00 0.00 179.01 173.62 2jns n ASP 13 N -3.78 -2.33 -4.92 1.42 2.03 -0.92 -4.95 116.55 103.09 2jns n ASP 13 Ca -0.02 -0.57 -0.22 0.00 0.52 0.00 0.00 54.79 54.50 2jns n ASP 13 Cb 0.23 -0.82 -0.03 0.00 -0.72 0.00 0.00 41.12 39.78 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 -4.55 3.30 0.43 -0.67 1.02 -1.26 -5.08 119.74 112.92 2jns s LYS 14 Ca 0.09 -0.81 0.06 0.00 0.02 0.00 0.00 55.97 55.33 2jns s LYS 14 Cb -0.05 -2.81 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 2jns s LYS 14 CO 0.48 0.44 0.04 0.00 -0.92 0.00 0.00 175.35 175.39 2jns s LYS 16 N -3.78 1.50 0.93 0.00 -0.14 -1.26 -5.06 119.74 111.92 2jns s LYS 16 Ca 0.30 -1.77 -0.10 0.00 -1.36 0.00 0.00 55.97 53.04 2jns s LYS 16 Cb 0.07 -1.01 0.15 0.00 -1.68 0.00 0.00 37.83 35.36 2jns s LYS 16 CO 0.16 -0.01 1.12 -1.25 -0.76 0.00 0.00 175.35 174.61 2jns s PRO 17 N -3.77 0.94 -0.12 -1.68 0.04 -1.26 -4.69 135.00 124.46 2jns s PRO 17 Ca 0.29 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 2jns s PRO 17 Cb 0.04 -1.73 0.04 0.00 0.04 0.00 0.00 34.50 32.89 2jns s PRO 17 CO 0.11 -2.63 -0.02 -1.64 0.04 0.00 0.00 177.00 172.87 2jns s MET 18 N -4.67 0.94 0.87 4.56 -1.94 -1.26 -5.08 119.30 112.72 2jns s MET 18 Ca 0.66 -0.17 -0.13 0.00 -1.71 0.00 0.00 55.69 54.34 2jns s MET 18 Cb -0.22 -1.49 0.14 0.00 2.01 0.00 0.00 34.83 35.27 2jns s MET 18 CO 0.58 -0.38 1.23 -1.12 -0.01 0.00 0.00 175.02 175.32 2jns s SER 19 N 1.84 3.80 0.30 3.03 0.01 -1.26 -4.86 113.70 116.56 2jns s SER 19 Ca 0.03 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2jns s SER 19 Cb -0.14 -0.67 0.51 0.00 0.21 0.00 0.00 66.02 65.93 2jns s SER 19 CO -0.07 -2.31 1.92 0.22 0.41 0.00 0.00 173.24 173.42 2jns h TYR 20 N -1.29 1.04 -0.46 2.43 3.20 -1.99 -1.30 116.97 118.61 2jns h TYR 20 Ca -0.44 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.37 2jns h TYR 20 Cb 1.27 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 2jns h TYR 20 CO -0.48 0.57 -0.05 0.93 -1.64 0.00 0.00 178.16 177.49 2jns h GLU 21 N 1.05 0.79 -0.14 1.82 3.07 -1.98 0.65 114.58 119.83 2jns h GLU 21 Ca 0.37 -0.24 -0.07 0.00 -0.50 0.00 0.00 59.36 58.92 2jns h GLU 21 Cb 0.12 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2jns h GLU 21 CO -0.13 0.83 -0.20 0.93 -1.40 0.00 0.00 179.01 179.05 2jns h GLU 22 N 0.73 0.39 -0.79 2.33 4.39 -1.76 -1.35 114.58 118.52 2jns h GLU 22 Ca 0.13 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.62 2jns h GLU 22 Cb 0.52 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 2jns h GLU 22 CO 0.03 0.81 0.51 0.87 -1.16 0.00 0.00 179.01 180.07 2jns h LYS 23 N 0.00 1.00 0.16 2.33 1.57 -1.02 -1.72 116.57 118.89 2jns h LYS 23 Ca 0.02 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2jns h LYS 23 Cb 0.76 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2jns h LYS 23 CO 0.05 0.66 -0.08 0.00 -0.57 0.00 0.00 179.45 179.51 2jns h ARG 24 N 1.03 -0.21 -0.80 3.15 2.47 -0.81 -3.10 114.38 116.11 2jns h ARG 24 Ca 0.30 0.01 0.16 0.00 -1.26 0.00 0.00 59.98 59.20 2jns h ARG 24 Cb -0.07 0.05 -0.10 0.00 -1.65 0.00 0.00 29.97 28.19 2jns h ARG 24 CO -0.08 0.12 0.33 0.37 0.56 0.00 0.00 179.97 181.27 2jns h GLN 25 N -0.55 0.42 -0.80 0.04 5.75 -1.01 0.02 115.11 118.98 2jns h GLN 25 Ca -0.02 -0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.56 2jns h GLN 25 Cb 0.42 -0.10 -0.08 0.00 1.07 0.00 0.00 27.48 28.80 2jns h GLN 25 CO 0.04 0.28 0.42 1.25 -2.65 0.00 0.00 178.83 178.17 2jns h LEU 26 N 0.43 0.56 -0.58 -2.39 5.85 -1.30 -1.67 115.31 116.22 2jns h LEU 26 Ca 0.46 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 59.20 2jns h LEU 26 Cb 0.75 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 2jns h LEU 26 CO -0.45 0.29 0.20 -1.28 -0.34 0.00 0.00 178.44 176.87 2jns h SER 27 N 0.67 0.83 -0.44 1.25 0.87 -0.93 -1.04 113.55 114.77 2jns h SER 27 Ca 0.41 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 2jns h SER 27 Cb 0.46 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2jns h SER 27 CO -0.29 0.80 0.28 -0.07 -0.53 0.00 0.00 176.83 177.02 2jns h LEU 28 N 0.82 0.47 -0.60 2.23 -0.00 -0.98 0.14 115.31 117.40 2jns h LEU 28 Ca 0.19 -0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 57.92 2jns h LEU 28 Cb 0.25 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 2jns h LEU 28 CO -0.01 0.34 -0.48 0.44 -0.00 0.00 0.00 178.44 178.73 2jns h ASP 29 N 0.57 0.60 -0.29 -0.43 5.19 -1.39 -3.01 116.42 117.67 2jns h ASP 29 Ca 0.17 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2jns h ASP 29 Cb -0.03 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 2jns h ASP 29 CO -0.05 0.98 0.18 0.40 -3.12 0.00 0.00 179.24 177.63 2jns h ILE 30 N 0.44 1.09 0.00 0.35 2.04 -0.75 -2.14 117.51 118.54 2jns h ILE 30 Ca 0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2jns h ILE 30 Cb 1.00 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2jns h ILE 30 CO 0.09 0.08 0.00 0.59 0.00 0.00 0.00 178.15 178.92 2jns n ASN 31 N -4.87 0.53 0.11 1.72 3.02 -0.00 -1.34 115.26 114.42 2jns n ASN 31 Ca -0.02 0.71 0.13 0.00 -0.03 0.00 0.00 54.58 55.37 2jns n ASN 31 Cb 0.04 -0.79 0.34 0.00 -0.61 0.00 0.00 39.78 38.75 2jns n ASN 31 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2jns h LYS 32 N 0.00 0.00 -7.18 3.52 1.79 -1.29 -3.46 116.57 109.94 2jns h LYS 32 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 2jns h LYS 32 Cb 0.10 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 30.82 2jns h LYS 32 CO 0.00 0.00 0.38 -0.51 -1.08 0.00 0.00 179.45 178.24 2jns s LEU 33 N -4.66 3.51 0.49 2.94 1.43 -0.45 -5.04 118.68 116.89 2jns s LEU 33 Ca 0.09 1.89 -0.19 0.00 -1.03 0.00 0.00 54.13 54.89 2jns s LEU 33 Cb 0.12 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.71 2jns s LEU 33 CO 0.63 -1.26 1.01 -2.16 0.23 0.00 0.00 176.35 174.79 2jns s PRO 34 N -3.98 3.88 0.48 1.29 0.04 -1.26 -4.88 135.00 130.56 2jns s PRO 34 Ca 0.65 1.23 0.14 0.00 0.04 0.00 0.00 61.00 63.06 2jns s PRO 34 Cb -0.18 -2.12 1.13 0.00 0.04 0.00 0.00 34.50 33.38 2jns s PRO 34 CO 0.36 -0.35 2.09 0.78 0.04 0.00 0.00 177.00 179.93 2jns h GLY 35 N 1.45 0.24 1.92 0.56 0.00 -1.97 -1.30 103.07 103.95 2jns h GLY 35 Ca -0.49 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 46.77 2jns h GLY 35 CO 0.60 0.07 0.03 1.05 0.00 0.00 0.00 176.54 178.29 2jns h GLU 36 N 0.21 0.00 -0.01 4.80 4.11 -2.05 -2.24 114.58 119.40 2jns h GLU 36 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2jns h GLU 36 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2jns h GLU 36 CO -0.02 0.00 -0.30 1.63 0.07 0.00 0.00 179.01 180.39 2jns n LYS 37 N -4.46 2.11 -0.16 1.06 5.02 -0.59 -4.59 118.16 116.54 2jns n LYS 37 Ca -0.02 -0.58 -0.07 0.00 -2.02 0.00 0.00 58.31 55.62 2jns n LYS 37 Cb 0.13 -1.14 0.10 0.00 -0.02 0.00 0.00 35.03 34.09 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 1.17 0.90 -2.28 -0.35 5.85 -0.64 -2.82 115.31 117.14 2jns h LEU 38 Ca 0.00 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.52 2jns h LEU 38 Cb 0.40 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2jns h LEU 38 CO 0.00 0.96 0.17 1.23 -0.34 0.00 0.00 178.44 180.46 2jns h GLY 39 N 0.99 0.00 1.78 3.75 0.00 -1.81 0.48 103.07 108.26 2jns h GLY 39 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 2jns h GLY 39 CO 0.03 0.00 -0.20 -0.09 0.00 0.00 0.00 176.54 176.28 2jns h ARG 40 N 0.00 0.27 -0.81 4.80 9.65 -1.82 -2.73 114.38 123.74 2jns h ARG 40 Ca 0.07 -0.08 0.05 0.00 -1.10 0.00 0.00 59.98 58.92 2jns h ARG 40 Cb 0.41 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.90 2jns h ARG 40 CO -0.00 0.46 0.50 0.28 2.80 0.00 0.00 179.97 184.02 2jns h VAL 41 N 0.25 1.07 -0.83 0.20 2.07 -1.03 -2.35 116.25 115.63 2jns h VAL 41 Ca 0.04 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2jns h VAL 41 Cb 0.49 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2jns h VAL 41 CO 0.03 0.17 0.54 1.62 0.02 0.00 0.00 177.57 179.96 2jns h VAL 42 N 0.95 1.03 -0.30 2.57 3.04 -1.59 -0.16 116.25 121.80 2jns h VAL 42 Ca 0.34 -0.31 0.03 0.00 -1.01 0.00 0.00 66.70 65.76 2jns h VAL 42 Cb 0.10 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 29.42 2jns h VAL 42 CO -0.15 0.16 0.20 0.45 -1.01 0.00 0.00 177.57 177.23 2jns h HIS 43 N 0.89 0.26 -0.14 3.17 -0.00 -1.50 -1.13 115.15 116.70 2jns h HIS 43 Ca 0.36 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.71 2jns h HIS 43 Cb 0.26 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 2jns h HIS 43 CO -0.00 0.15 -0.01 0.82 -0.00 0.00 0.00 177.93 178.89 2jns h ILE 44 N 0.27 1.26 -0.53 2.45 2.04 -1.05 -2.84 117.51 119.11 2jns h ILE 44 Ca 0.12 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 2jns h ILE 44 Cb 0.16 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2jns h ILE 44 CO -0.02 0.25 0.14 0.40 0.00 0.00 0.00 178.15 178.91 2jns h ILE 45 N -0.03 1.24 -0.24 -0.67 5.03 -1.33 -2.65 117.51 118.86 2jns h ILE 45 Ca 0.04 -0.85 0.07 0.00 -0.12 0.00 0.00 64.86 64.00 2jns h ILE 45 Cb 0.39 0.78 -0.01 0.00 -3.03 0.00 0.00 36.82 34.95 2jns h ILE 45 CO 0.01 0.31 0.25 1.56 -0.68 0.00 0.00 178.15 179.60 2jns h GLN 46 N 0.74 0.00 0.00 2.37 4.20 -1.17 0.28 115.11 121.54 2jns h GLN 46 Ca 0.17 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 2jns h GLN 46 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2jns h GLN 46 CO 0.00 0.00 -0.30 1.03 -0.67 0.00 0.00 178.83 178.90 2jns h SER 47 N 0.00 0.00 0.11 1.46 0.87 -1.22 -3.18 113.55 111.59 2jns h SER 47 Ca 0.12 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.37 2jns h SER 47 Cb 0.62 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.53 2jns h SER 47 CO -0.00 0.30 -2.19 0.54 -0.53 0.00 0.00 176.83 174.94 2jns n ARG 48 N -3.95 0.67 -3.54 2.24 5.12 0.81 -4.72 116.66 113.29 2jns n ARG 48 Ca -0.02 0.02 -0.40 0.00 -1.93 0.00 0.00 57.85 55.53 2jns n ARG 48 Cb 0.36 -1.57 -0.05 0.00 -1.16 0.00 0.00 32.46 30.04 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 -2.66 3.39 0.48 5.56 0.41 -0.08 -4.93 118.70 120.87 2jns s GLU 49 Ca -0.09 -2.98 0.14 0.00 -0.41 0.00 0.00 54.97 51.63 2jns s GLU 49 Cb 0.07 -4.12 1.12 0.00 -1.78 0.00 0.00 34.13 29.43 2jns s GLU 49 CO 0.84 -1.25 2.09 -1.00 -0.49 0.00 0.00 175.26 175.45 2jns h PRO 50 N 6.64 0.09 0.00 0.39 0.13 -1.85 -1.41 132.00 136.00 2jns h PRO 50 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2jns h PRO 50 Cb 0.89 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2jns h PRO 50 CO 0.84 0.11 0.00 0.77 -0.23 0.00 0.00 178.00 179.49 2jns h SER 51 N 0.09 0.00 -0.02 1.44 0.02 -1.91 -2.57 113.55 110.60 2jns h SER 51 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2jns h SER 51 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2jns h SER 51 CO 0.00 0.00 -0.10 0.18 -1.14 0.00 0.00 176.83 175.78 2jns n LEU 52 N -2.63 1.95 -4.77 5.07 7.99 -0.58 -4.99 117.00 119.04 2jns n LEU 52 Ca 0.01 -0.92 -0.41 0.00 -0.01 0.00 0.00 56.01 54.69 2jns n LEU 52 Cb 0.25 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.54 2jns n LEU 52 CO 0.23 0.36 0.94 -0.75 -1.51 0.00 0.00 177.39 176.66 2jns s LYS 53 N -1.36 4.41 0.00 3.23 2.20 -0.88 -2.48 119.74 124.86 2jns s LYS 53 Ca 0.15 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 2jns s LYS 53 Cb 0.12 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 2jns s LYS 53 CO 0.23 -0.11 0.00 0.09 -0.36 0.00 0.00 175.35 175.20 2jns n ASN 54 N 0.87 0.00 -4.79 1.43 3.02 -1.26 -5.03 115.26 109.49 2jns n ASN 54 Ca -0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 2jns n ASN 54 Cb 0.42 -0.16 0.02 0.00 -0.61 0.00 0.00 39.78 39.45 2jns n ASN 54 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2jns s SER 55 N -3.17 5.66 0.47 6.41 0.01 -1.03 -5.02 113.70 117.02 2jns s SER 55 Ca 0.00 1.87 -0.21 0.00 1.31 0.00 0.00 55.95 58.92 2jns s SER 55 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 2jns s SER 55 CO 0.00 -1.25 1.03 0.21 0.41 0.00 0.00 173.24 173.63 2jns s ASN 56 N -2.69 6.47 0.29 2.44 2.47 -1.26 -4.95 114.94 117.70 2jns s ASN 56 Ca 0.65 1.91 -0.01 0.00 0.42 0.00 0.00 52.86 55.82 2jns s ASN 56 Cb -0.17 -2.56 0.45 0.00 -1.45 0.00 0.00 41.25 37.52 2jns s ASN 56 CO 0.37 -0.69 1.92 1.55 -3.72 0.00 0.00 177.10 176.53 2jns h PRO 57 N 1.71 1.09 0.00 0.43 0.13 -1.95 -1.11 132.00 132.30 2jns h PRO 57 Ca -0.49 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2jns h PRO 57 Cb 1.21 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2jns h PRO 57 CO 0.60 0.72 0.00 -0.25 -0.23 0.00 0.00 178.00 178.84 2jns n ASP 58 N -4.46 0.30 -0.00 1.44 8.00 -1.26 -1.88 116.55 118.69 2jns n ASP 58 Ca 0.13 0.62 0.07 0.00 0.71 0.00 0.00 54.79 56.32 2jns n ASP 58 Cb 0.13 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 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 -1.89 1.43 -2.70 -1.24 -0.58 -0.43 -5.02 120.64 110.20 2jns n GLU 59 Ca 0.00 -0.06 -0.25 0.00 -0.42 0.00 0.00 57.16 56.42 2jns n GLU 59 Cb 0.06 -1.26 0.01 0.00 -0.57 0.00 0.00 31.44 29.69 2jns n GLU 59 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2jns s ILE 60 N -2.66 4.15 0.02 -3.67 1.01 -0.79 -4.99 121.20 114.26 2jns s ILE 60 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.52 2jns s ILE 60 Cb 0.10 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 2jns s ILE 60 CO 0.60 -0.52 -0.04 -1.61 0.00 0.00 0.00 174.94 173.37 2jns s GLU 61 N -4.75 0.33 -0.33 2.79 0.41 -1.26 -5.02 118.70 110.87 2jns s GLU 61 Ca 0.50 -0.49 -0.08 0.00 -0.41 0.00 0.00 54.97 54.49 2jns s GLU 61 Cb -0.10 -0.09 0.02 0.00 -1.78 0.00 0.00 34.13 32.19 2jns s GLU 61 CO 0.42 0.01 0.12 0.42 -0.49 0.00 0.00 175.26 175.74 2jns s ILE 62 N -1.01 4.08 -0.29 -1.63 1.01 -1.26 -5.05 121.20 117.04 2jns s ILE 62 Ca -0.09 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.69 2jns s ILE 62 Cb -0.07 -3.22 0.08 0.00 0.01 0.00 0.00 42.46 39.25 2jns s ILE 62 CO -0.00 -0.10 -0.00 -1.81 0.00 0.00 0.00 174.94 173.02 2jns s ASP 63 N 1.48 4.33 0.00 3.58 1.01 -1.26 -4.97 116.67 120.84 2jns s ASP 63 Ca 0.01 -1.65 0.12 0.00 0.71 0.00 0.00 52.55 51.74 2jns s ASP 63 Cb -0.19 -1.37 0.59 0.00 1.01 0.00 0.00 42.92 42.97 2jns s ASP 63 CO 0.04 -0.31 1.30 0.49 0.21 0.00 0.00 175.17 176.91 2jns n PHE 64 N 4.50 0.00 0.09 4.23 3.72 -1.26 -1.09 117.46 127.64 2jns n PHE 64 Ca -0.05 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.27 2jns n PHE 64 Cb 0.43 -0.31 0.01 0.00 -0.94 0.00 0.00 39.48 38.66 2jns n PHE 64 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2jns h GLU 65 N 0.00 0.17 0.00 -1.08 4.39 -2.01 -3.34 114.58 112.72 2jns h GLU 65 Ca 0.00 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2jns h GLU 65 Cb 0.13 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2jns h GLU 65 CO 0.00 0.92 -0.99 -2.37 -1.16 0.00 0.00 179.01 175.41 2jns n THR 66 N -3.67 0.00 -2.34 1.13 5.66 -0.74 -4.98 114.28 109.34 2jns n THR 66 Ca -0.03 -0.17 -0.42 0.00 -3.05 0.00 0.00 64.05 60.38 2jns n THR 66 Cb 0.79 0.53 -0.03 0.00 -1.55 0.00 0.00 70.33 70.07 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 -3.07 4.33 0.75 1.09 1.43 -0.25 -4.98 118.68 117.99 2jns s LEU 67 Ca -0.01 2.04 -0.15 0.00 -1.03 0.00 0.00 54.13 54.98 2jns s LEU 67 Cb 0.03 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.73 2jns s LEU 67 CO 0.19 -0.60 1.22 -0.54 0.23 0.00 0.00 176.35 176.85 2jns s LYS 68 N 1.76 1.97 0.00 1.70 3.01 -1.26 -4.87 119.74 122.05 2jns s LYS 68 Ca 0.60 1.80 0.10 0.00 -1.01 0.00 0.00 55.97 57.46 2jns s LYS 68 Cb -0.30 -1.81 0.42 0.00 -1.01 0.00 0.00 37.83 35.13 2jns s LYS 68 CO 0.27 -1.97 1.30 -0.35 0.51 0.00 0.00 175.35 175.10 2jns n PRO 69 N -2.86 0.02 0.00 -1.68 -0.04 -1.26 -1.14 135.00 128.04 2jns n PRO 69 Ca 0.14 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 2jns n PRO 69 Cb 0.50 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.51 2jns n PRO 69 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jns n SER 70 N -1.48 0.97 -0.03 3.54 3.41 -1.26 -4.32 113.62 114.45 2jns n SER 70 Ca 0.03 -0.82 -0.21 0.00 -0.26 0.00 0.00 58.87 57.60 2jns n SER 70 Cb 0.11 0.64 -0.13 0.00 -0.26 0.00 0.00 64.21 64.56 2jns n SER 70 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2jns n THR 71 N -1.26 1.70 -0.34 6.66 -1.04 -0.29 -4.51 114.28 115.21 2jns n THR 71 Ca 0.06 -0.56 0.03 0.00 -2.04 0.00 0.00 64.05 61.53 2jns n THR 71 Cb 0.35 -1.73 0.17 0.00 -1.82 0.00 0.00 70.33 67.30 2jns n THR 71 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2jns h LEU 72 N -0.10 0.93 -1.24 -4.42 3.38 -1.73 -2.39 115.31 109.73 2jns h LEU 72 Ca -0.45 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2jns h LEU 72 Cb 1.91 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 2jns h LEU 72 CO 0.01 0.58 -0.13 0.03 0.09 0.00 0.00 178.44 179.01 2jns h ARG 73 N 1.06 0.35 0.00 1.13 2.47 -1.79 0.02 114.38 117.63 2jns h ARG 73 Ca 0.42 -0.09 -0.06 0.00 -1.26 0.00 0.00 59.98 58.99 2jns h ARG 73 Cb 0.22 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 2jns h ARG 73 CO -0.19 0.49 -0.29 0.93 0.56 0.00 0.00 179.97 181.47 2jns h GLU 74 N 0.33 0.00 0.00 0.04 4.39 -1.66 0.91 114.58 118.59 2jns h GLU 74 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2jns h GLU 74 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2jns h GLU 74 CO 0.03 0.29 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.10 2jns h LEU 75 N 0.00 -0.00 -0.50 1.33 3.38 -1.36 -3.16 115.31 114.99 2jns h LEU 75 Ca -0.00 -0.91 0.06 0.00 0.09 0.00 0.00 57.88 57.12 2jns h LEU 75 Cb 0.53 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2jns h LEU 75 CO 0.04 0.92 0.20 -0.08 0.09 0.00 0.00 178.44 179.60 2jns h GLU 76 N -0.93 0.38 -0.42 1.13 4.57 -0.81 -1.50 114.58 117.00 2jns h GLU 76 Ca -0.00 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2jns h GLU 76 Cb 0.91 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 2jns h GLU 76 CO 0.00 0.25 0.12 -0.09 -1.18 0.00 0.00 179.01 178.10 2jns h ARG 77 N 0.39 0.61 0.54 1.92 2.43 -0.95 -0.60 114.38 118.71 2jns h ARG 77 Ca 0.24 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2jns h ARG 77 Cb 0.23 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2jns h ARG 77 CO -0.23 0.55 -0.26 -0.92 -1.51 0.00 0.00 179.97 177.61 2jns h TYR 78 N 0.60 -0.67 -0.44 2.20 3.20 -1.26 -1.99 116.97 118.61 2jns h TYR 78 Ca 0.14 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.07 2jns h TYR 78 Cb 0.21 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 2jns h TYR 78 CO 0.01 -0.35 0.08 -0.39 -1.64 0.00 0.00 178.16 175.87 2jns h VAL 79 N -1.08 0.75 -0.26 1.81 -1.51 -1.28 0.89 116.25 115.57 2jns h VAL 79 Ca -0.07 -0.07 0.05 0.00 -1.23 0.00 0.00 66.70 65.37 2jns h VAL 79 Cb 0.62 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.29 2jns h VAL 79 CO 0.12 0.04 0.18 0.74 -1.23 0.00 0.00 177.57 177.42 2jns h THR 80 N 0.21 0.95 0.00 7.19 2.02 -1.16 -0.41 112.91 121.70 2jns h THR 80 Ca 0.22 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 67.18 2jns h THR 80 Cb 0.28 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2jns h THR 80 CO -0.30 0.03 -1.30 -1.28 0.37 0.00 0.00 175.52 173.04 2jns h SER 81 N 0.15 0.00 0.00 4.18 0.87 -0.22 -1.26 113.55 117.27 2jns h SER 81 Ca 0.12 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 2jns h SER 81 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2jns h SER 81 CO -0.02 0.62 -0.11 0.00 -0.53 0.00 0.00 176.83 176.80 2jns h LEU 83 N -0.69 -0.31 -9.09 0.00 3.38 -1.25 -3.44 115.31 103.91 2jns h LEU 83 Ca -0.01 -0.13 -0.62 0.00 0.09 0.00 0.00 57.88 57.21 2jns h LEU 83 Cb 0.90 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.59 2jns h LEU 83 CO 0.02 0.17 -0.51 -0.60 0.09 0.00 0.00 178.44 177.62 2jns s ARG 84 N -3.19 4.06 0.31 1.13 3.52 -0.47 -5.07 118.95 119.25 2jns s ARG 84 Ca -0.09 -0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 54.94 2jns s ARG 84 Cb 0.01 -3.51 -0.11 0.00 -1.56 0.00 0.00 34.95 29.78 2jns s ARG 84 CO 0.31 0.08 1.48 -1.59 -0.81 0.00 0.00 175.30 174.77 2jns s LYS 85 N 0.99 4.19 -0.11 5.12 -2.85 -1.26 -3.84 119.74 121.98 2jns s LYS 85 Ca 0.07 2.46 0.03 0.00 -1.00 0.00 0.00 55.97 57.53 2jns s LYS 85 Cb -0.13 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.61 2jns s LYS 85 CO 0.04 -0.48 -0.22 0.15 0.10 0.00 0.00 175.35 174.93 2jns s LYS 86 N -1.18 2.91 0.01 1.78 -0.14 -1.26 -5.03 119.74 116.84 2jns s LYS 86 Ca 0.57 -0.83 -0.14 0.00 -1.36 0.00 0.00 55.97 54.21 2jns s LYS 86 Cb -0.45 -2.24 0.02 0.00 -1.68 0.00 0.00 37.83 33.48 2jns s LYS 86 CO 0.52 0.12 0.29 -0.98 -0.76 0.00 0.00 175.35 174.55 2jns s ARG 87 N 0.49 0.72 0.79 1.68 1.70 -1.26 -5.15 118.95 117.91 2jns s ARG 87 Ca -0.16 -0.35 -0.11 0.00 -0.47 0.00 0.00 55.73 54.64 2jns s ARG 87 Cb -0.17 0.31 0.06 0.00 -0.57 0.00 0.00 34.95 34.58 2jns s ARG 87 CO 0.06 -0.21 1.09 0.15 -1.08 0.00 0.00 175.30 175.31 2jns s LYS 88 N -1.87 2.17 -0.37 3.89 3.01 -1.26 -4.95 119.74 120.36 2jns s LYS 88 Ca -0.10 0.69 -0.29 0.00 -1.01 0.00 0.00 55.97 55.26 2jns s LYS 88 Cb -0.03 -1.92 -0.01 0.00 -1.01 0.00 0.00 37.83 34.86 2jns s LYS 88 CO 0.01 -1.57 1.63 -1.25 0.51 0.00 0.00 175.35 174.68 2jns s PRO 89 N -5.13 3.43 0.00 -1.68 0.04 -1.26 -5.33 135.00 125.06 2jns s PRO 89 Ca 0.60 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2jns s PRO 89 Cb -0.14 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2jns s PRO 89 CO 0.54 -1.74 0.00 1.04 0.04 0.00 0.00 177.00 176.88