#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 3.05 -4.12 1.61 7.64 -1.26 -4.97 113.62 115.57 2jns n SER 2 Ca 0.00 1.02 -0.14 0.00 1.01 0.00 0.00 58.87 60.76 2jns n SER 2 Cb 0.00 -1.32 -0.11 0.00 -1.01 0.00 0.00 64.21 61.76 2jns n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jns s SER 3 N 3.12 1.17 -0.28 6.43 0.01 -1.26 -4.81 113.70 118.07 2jns s SER 3 Ca 0.91 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2jns s SER 3 Cb -0.78 0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.47 2jns s SER 3 CO 0.51 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2jns n GLY 4 N 1.07 0.50 3.54 3.44 0.00 -1.26 -4.93 105.19 107.55 2jns n GLY 4 Ca -0.20 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2jns n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jns n SER 5 N -0.24 1.83 -3.32 1.61 7.64 -1.26 -4.84 113.62 115.04 2jns n SER 5 Ca -0.03 -0.35 -0.05 0.00 1.01 0.00 0.00 58.87 59.45 2jns n SER 5 Cb 0.26 -1.43 0.01 0.00 -1.01 0.00 0.00 64.21 62.05 2jns n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jns s SER 6 N 11.50 -0.04 0.00 6.43 0.01 -1.26 -5.18 113.70 125.16 2jns s SER 6 Ca 1.07 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 57.56 2jns s SER 6 Cb -0.43 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2jns s SER 6 CO 0.32 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.37 2jns n GLY 7 N -0.60 1.49 3.44 3.44 0.00 -1.26 -5.15 105.19 106.54 2jns n GLY 7 Ca -0.05 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.98 1.26 -0.01 1.61 0.41 -1.26 -5.07 118.70 111.67 2jns s GLU 8 Ca 0.00 -0.90 0.01 0.00 -0.41 0.00 0.00 54.97 53.67 2jns s GLU 8 Cb 0.00 0.48 0.01 0.00 -1.78 0.00 0.00 34.13 32.84 2jns s GLU 8 CO 0.00 -0.51 0.82 0.43 -0.49 0.00 0.00 175.26 175.51 2jns n SER 9 N -0.29 0.14 -0.18 -0.19 7.64 -1.26 -4.92 113.62 114.57 2jns n SER 9 Ca -0.11 -1.68 -0.01 0.00 1.01 0.00 0.00 58.87 58.09 2jns n SER 9 Cb 0.63 -0.13 0.09 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.00 0.26 -0.00 1.43 4.57 -1.97 -0.39 114.58 118.47 2jns h GLU 10 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2jns h GLU 10 Cb 1.22 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2jns h GLU 10 CO 0.00 0.17 -0.13 -1.91 -1.18 0.00 0.00 179.01 175.96 2jns n GLU 11 N -5.11 0.62 -0.11 1.92 4.07 -1.26 -3.81 120.64 116.96 2jns n GLU 11 Ca 0.07 -0.22 -0.14 0.00 -0.06 0.00 0.00 57.16 56.81 2jns n GLU 11 Cb 0.28 -1.50 -0.13 0.00 -0.06 0.00 0.00 31.44 30.03 2jns n GLU 11 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2jns n GLU 12 N -1.00 0.69 -1.68 5.31 4.07 -0.36 -4.57 120.64 123.10 2jns n GLU 12 Ca 0.13 0.08 -0.29 0.00 -0.06 0.00 0.00 57.16 57.02 2jns n GLU 12 Cb 0.29 -1.51 0.05 0.00 -0.06 0.00 0.00 31.44 30.21 2jns n GLU 12 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2jns n ASP 13 N -3.03 6.26 0.28 4.31 9.92 -0.30 -4.83 116.55 129.16 2jns n ASP 13 Ca -0.40 -3.77 0.12 0.00 -0.53 0.00 0.00 54.79 50.21 2jns n ASP 13 Cb 1.05 -0.65 0.63 0.00 -0.64 0.00 0.00 41.12 41.51 2jns n ASP 13 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2jns h LYS 14 N 2.09 0.00 -3.60 -1.24 1.57 -1.81 -3.42 116.57 110.16 2jns h LYS 14 Ca 0.49 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.20 2jns h LYS 14 Cb 1.19 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.37 2jns h LYS 14 CO 1.16 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 179.85 2jns s LYS 16 N -3.86 3.11 0.52 0.00 -0.14 -1.26 -5.04 119.74 113.06 2jns s LYS 16 Ca 0.07 -0.74 -0.21 0.00 -1.36 0.00 0.00 55.97 53.73 2jns s LYS 16 Cb 0.03 -2.78 -0.06 0.00 -1.68 0.00 0.00 37.83 33.33 2jns s LYS 16 CO -0.08 0.51 1.14 -1.25 -0.76 0.00 0.00 175.35 174.91 2jns s PRO 17 N -3.06 3.49 -0.26 -1.68 0.04 -1.26 -4.72 135.00 127.56 2jns s PRO 17 Ca 0.32 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 62.93 2jns s PRO 17 Cb -0.11 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2jns s PRO 17 CO 0.25 -0.75 0.14 -1.64 0.04 0.00 0.00 177.00 175.04 2jns s MET 18 N -3.09 3.86 0.72 4.56 -1.94 -1.26 -5.09 119.30 117.06 2jns s MET 18 Ca 0.70 -0.37 -0.11 0.00 -1.71 0.00 0.00 55.69 54.19 2jns s MET 18 Cb -0.25 -3.51 0.03 0.00 2.01 0.00 0.00 34.83 33.11 2jns s MET 18 CO 0.29 -0.13 1.11 0.45 -0.01 0.00 0.00 175.02 176.73 2jns s SER 19 N 1.56 5.27 0.25 3.03 0.15 -1.26 -4.87 113.70 117.83 2jns s SER 19 Ca 0.07 1.05 -0.04 0.00 0.70 0.00 0.00 55.95 57.72 2jns s SER 19 Cb -0.15 -1.79 0.37 0.00 -1.71 0.00 0.00 66.02 62.73 2jns s SER 19 CO 0.07 -1.44 1.85 0.22 1.20 0.00 0.00 173.24 175.14 2jns h TYR 20 N -0.72 1.01 -0.70 3.44 3.20 -1.98 -0.23 116.97 121.00 2jns h TYR 20 Ca -0.45 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.44 2jns h TYR 20 Cb 1.27 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 2jns h TYR 20 CO 0.46 0.50 0.40 0.93 -1.64 0.00 0.00 178.16 178.81 2jns h GLU 21 N 0.98 0.96 -0.01 1.82 3.07 -1.98 -0.20 114.58 119.22 2jns h GLU 21 Ca 0.39 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 59.15 2jns h GLU 21 Cb 0.21 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 2jns h GLU 21 CO -0.19 0.70 -0.01 0.93 -1.40 0.00 0.00 179.01 179.04 2jns h GLU 22 N 0.95 0.02 -0.70 2.33 4.39 -1.73 -0.98 114.58 118.86 2jns h GLU 22 Ca 0.25 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.03 2jns h GLU 22 Cb 0.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 2jns h GLU 22 CO -0.04 0.56 0.33 0.87 -1.16 0.00 0.00 179.01 179.57 2jns h LYS 23 N -0.51 0.54 0.11 2.33 1.57 -0.89 0.05 116.57 119.77 2jns h LYS 23 Ca 0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2jns h LYS 23 Cb 0.56 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2jns h LYS 23 CO 0.00 0.36 -0.05 0.00 -0.57 0.00 0.00 179.45 179.19 2jns h ARG 24 N 0.56 -0.14 -0.88 3.15 2.47 -1.04 -2.74 114.38 115.76 2jns h ARG 24 Ca 0.35 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 59.17 2jns h ARG 24 Cb 0.40 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.68 2jns h ARG 24 CO -0.29 0.26 0.53 0.37 0.56 0.00 0.00 179.97 181.41 2jns h GLN 25 N -0.57 0.89 -0.58 0.04 5.75 -0.75 -0.91 115.11 118.98 2jns h GLN 25 Ca -0.01 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 2jns h GLN 25 Cb 0.46 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 2jns h GLN 25 CO 0.02 0.59 0.33 1.25 -2.65 0.00 0.00 178.83 178.37 2jns h LEU 26 N 0.92 0.51 -0.72 -2.39 6.46 -1.02 -1.43 115.31 117.64 2jns h LEU 26 Ca 0.41 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 58.16 2jns h LEU 26 Cb 0.30 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 2jns h LEU 26 CO -0.22 0.35 0.35 -1.28 -0.62 0.00 0.00 178.44 177.02 2jns h SER 27 N 0.64 0.93 -0.46 1.25 0.87 -0.89 -0.51 113.55 115.37 2jns h SER 27 Ca 0.25 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2jns h SER 27 Cb 0.10 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2jns h SER 27 CO -0.14 0.80 0.26 -0.07 -0.53 0.00 0.00 176.83 177.15 2jns h LEU 28 N 1.00 0.57 -1.11 2.23 -0.00 -0.39 0.11 115.31 117.72 2jns h LEU 28 Ca 0.25 -0.08 -0.07 0.00 -0.00 0.00 0.00 57.88 57.98 2jns h LEU 28 Cb 0.11 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.61 2jns h LEU 28 CO -0.03 0.48 -0.11 0.44 -0.00 0.00 0.00 178.44 179.22 2jns h ASP 29 N 0.61 0.48 -0.41 -0.43 3.32 -0.97 -2.50 116.42 116.52 2jns h ASP 29 Ca 0.16 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2jns h ASP 29 Cb 0.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2jns h ASP 29 CO -0.03 0.63 0.05 0.40 -1.72 0.00 0.00 179.24 178.57 2jns h ILE 30 N 0.46 1.25 0.00 0.35 2.04 -0.53 -2.80 117.51 118.28 2jns h ILE 30 Ca 0.09 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 2jns h ILE 30 Cb 0.47 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2jns h ILE 30 CO 0.03 0.31 -0.01 0.78 0.00 0.00 0.00 178.15 179.26 2jns h ASN 31 N 0.54 0.00 0.10 1.72 2.35 -0.54 -1.64 115.58 118.11 2jns h ASN 31 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2jns h ASN 31 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2jns h ASN 31 CO 0.01 0.01 0.00 0.29 -1.65 0.00 0.00 177.43 176.09 2jns n LYS 32 N -3.48 0.88 -3.40 0.81 4.76 -1.06 -4.87 118.16 111.80 2jns n LYS 32 Ca -0.03 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.13 2jns n LYS 32 Cb 0.10 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 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 -2.10 4.10 0.69 -0.35 1.43 -0.62 -5.10 118.68 116.72 2jns s LEU 33 Ca 0.44 0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.11 2jns s LEU 33 Cb 0.21 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.95 2jns s LEU 33 CO 0.38 -0.16 1.06 -2.16 0.23 0.00 0.00 176.35 175.70 2jns s PRO 34 N -3.43 2.99 0.32 1.29 0.04 -1.26 -4.79 135.00 130.15 2jns s PRO 34 Ca 0.43 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2jns s PRO 34 Cb -0.11 -2.00 0.54 0.00 0.04 0.00 0.00 34.50 32.97 2jns s PRO 34 CO 0.29 -1.05 1.96 0.78 0.04 0.00 0.00 177.00 179.02 2jns h GLY 35 N -0.68 1.13 2.00 0.56 0.00 -1.98 0.04 103.07 104.13 2jns h GLY 35 Ca -0.44 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.50 2jns h GLY 35 CO 0.58 0.35 -0.01 1.05 0.00 0.00 0.00 176.54 178.51 2jns h GLU 36 N 1.00 0.00 0.00 4.80 4.11 -2.00 -2.06 114.58 120.43 2jns h GLU 36 Ca 0.31 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.60 2jns h GLU 36 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2jns h GLU 36 CO -0.09 0.01 -1.90 1.63 0.07 0.00 0.00 179.01 178.72 2jns n LYS 37 N -3.57 1.01 -0.16 1.06 5.02 -0.48 -4.43 118.16 116.60 2jns n LYS 37 Ca -0.03 -0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.10 2jns n LYS 37 Cb 0.09 -1.39 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.00 0.62 0.00 -0.35 5.85 -0.50 -2.35 115.31 118.58 2jns h LEU 38 Ca -0.21 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2jns h LEU 38 Cb 1.36 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2jns h LEU 38 CO 0.01 0.57 0.00 0.61 -0.34 0.00 0.00 178.44 179.29 2jns n GLY 39 N -0.91 -0.27 0.06 3.75 0.00 -0.82 -0.45 105.19 106.53 2jns n GLY 39 Ca 0.02 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 2jns n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jns n ARG 40 N -1.26 0.64 -0.17 1.61 0.63 -0.89 -4.31 116.66 112.92 2jns n ARG 40 Ca 0.00 -0.05 -0.08 0.00 -0.92 0.00 0.00 57.85 56.81 2jns n ARG 40 Cb 0.00 -1.64 0.01 0.00 0.45 0.00 0.00 32.46 31.29 2jns n ARG 40 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2jns h VAL 41 N 0.00 1.17 -0.60 5.15 2.07 -0.82 -2.67 116.25 120.55 2jns h VAL 41 Ca -0.07 -0.43 0.13 0.00 0.82 0.00 0.00 66.70 67.15 2jns h VAL 41 Cb 1.18 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2jns h VAL 41 CO 0.01 0.18 0.41 1.62 0.02 0.00 0.00 177.57 179.81 2jns h VAL 42 N 0.64 0.82 0.00 2.57 3.04 -1.75 -0.36 116.25 121.21 2jns h VAL 42 Ca 0.17 -0.09 -0.04 0.00 -1.01 0.00 0.00 66.70 65.73 2jns h VAL 42 Cb 0.05 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 2jns h VAL 42 CO -0.03 0.05 -0.17 0.45 -1.01 0.00 0.00 177.57 176.86 2jns h HIS 43 N 0.27 0.00 0.20 3.17 -0.00 -1.70 -2.37 115.15 114.72 2jns h HIS 43 Ca 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.65 2jns h HIS 43 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.17 2jns h HIS 43 CO -0.00 0.17 -0.10 0.82 -0.00 0.00 0.00 177.93 178.83 2jns h ILE 44 N 0.00 0.90 -0.78 2.45 2.04 -1.12 -3.09 117.51 117.91 2jns h ILE 44 Ca -0.00 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.15 2jns h ILE 44 Cb 0.62 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2jns h ILE 44 CO 0.02 0.16 0.52 0.40 0.00 0.00 0.00 178.15 179.25 2jns h ILE 45 N -0.64 1.19 0.00 -0.67 5.03 -1.59 -1.31 117.51 119.51 2jns h ILE 45 Ca -0.03 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 64.36 2jns h ILE 45 Cb 0.46 0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.31 2jns h ILE 45 CO 0.04 0.19 0.00 1.56 -0.68 0.00 0.00 178.15 179.27 2jns h GLN 46 N 1.04 0.00 0.00 2.37 4.20 -1.35 0.21 115.11 121.58 2jns h GLN 46 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2jns h GLN 46 Cb -0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2jns h GLN 46 CO -0.07 0.00 -0.07 1.03 -0.67 0.00 0.00 178.83 179.05 2jns h SER 47 N 0.00 0.00 0.07 1.46 0.87 -1.19 -3.33 113.55 111.44 2jns h SER 47 Ca 0.00 -0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.18 2jns h SER 47 Cb 0.01 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.91 2jns h SER 47 CO 0.00 0.00 -2.28 0.54 -0.53 0.00 0.00 176.83 174.56 2jns n ARG 48 N -2.93 0.68 -3.41 2.24 5.12 0.54 -4.81 116.66 114.09 2jns n ARG 48 Ca 0.04 0.16 -0.45 0.00 -1.93 0.00 0.00 57.85 55.68 2jns n ARG 48 Cb 0.52 -1.59 -0.04 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 -2.53 3.20 0.59 5.56 0.41 -0.02 -4.94 118.70 120.97 2jns s GLU 49 Ca -0.25 -2.25 0.39 0.00 -0.41 0.00 0.00 54.97 52.46 2jns s GLU 49 Cb 0.08 -4.24 2.04 0.00 -1.78 0.00 0.00 34.13 30.23 2jns s GLU 49 CO 0.70 -1.27 2.20 -1.00 -0.49 0.00 0.00 175.26 175.40 2jns h PRO 50 N 7.96 0.00 0.07 0.39 0.13 -1.88 -1.39 132.00 137.29 2jns h PRO 50 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2jns h PRO 50 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2jns h PRO 50 CO 0.82 0.00 -0.03 0.66 -0.23 0.00 0.00 178.00 179.21 2jns h SER 51 N 0.00 -0.08 0.34 1.44 4.64 -1.92 -3.31 113.55 114.66 2jns h SER 51 Ca 0.00 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2jns h SER 51 Cb 0.11 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2jns h SER 51 CO 0.00 0.56 0.00 -0.07 -0.87 0.00 0.00 176.83 176.45 2jns h LEU 52 N -0.98 0.00 -1.69 5.97 -0.00 -1.88 -1.95 115.31 114.78 2jns h LEU 52 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2jns h LEU 52 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.06 2jns h LEU 52 CO 0.02 0.00 0.22 0.50 -0.00 0.00 0.00 178.44 179.17 2jns h LYS 53 N 0.00 0.41 -0.57 1.13 3.64 -1.34 -1.47 116.57 118.37 2jns h LYS 53 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2jns h LYS 53 Cb 0.17 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2jns h LYS 53 CO 0.00 0.27 0.00 0.09 -2.27 0.00 0.00 179.45 177.54 2jns n ASN 54 N -4.49 3.11 -4.87 4.20 5.03 -0.73 -4.91 115.26 112.60 2jns n ASN 54 Ca 0.02 -2.23 -0.24 0.00 0.87 0.00 0.00 54.58 53.00 2jns n ASN 54 Cb 0.08 -0.43 -0.04 0.00 -1.02 0.00 0.00 39.78 38.37 2jns n ASN 54 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2jns s SER 55 N -0.80 5.85 0.46 6.41 0.01 -0.56 -5.11 113.70 119.96 2jns s SER 55 Ca 0.33 -0.07 -0.22 0.00 1.31 0.00 0.00 55.95 57.30 2jns s SER 55 Cb 0.20 -1.61 -0.08 0.00 0.21 0.00 0.00 66.02 64.74 2jns s SER 55 CO 0.17 0.00 1.07 0.21 0.41 0.00 0.00 173.24 175.11 2jns s ASN 56 N -3.56 6.40 0.31 2.44 2.47 -1.26 -4.96 114.94 116.77 2jns s ASN 56 Ca 0.33 2.06 0.04 0.00 0.42 0.00 0.00 52.86 55.71 2jns s ASN 56 Cb -0.09 -2.58 0.51 0.00 -1.45 0.00 0.00 41.25 37.64 2jns s ASN 56 CO 0.26 -0.75 1.78 1.55 -3.72 0.00 0.00 177.10 176.23 2jns h PRO 57 N 1.94 0.45 0.00 0.43 0.13 -1.95 -2.28 132.00 130.71 2jns h PRO 57 Ca -0.49 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2jns h PRO 57 Cb 1.23 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jns h PRO 57 CO 0.60 0.62 0.00 -0.25 -0.23 0.00 0.00 178.00 178.74 2jns n ASP 58 N -4.17 0.29 -0.00 1.44 8.00 -1.26 -2.62 116.55 118.23 2jns n ASP 58 Ca 0.00 0.57 0.10 0.00 0.71 0.00 0.00 54.79 56.17 2jns n ASP 58 Cb 0.35 -0.63 -0.12 0.00 -0.02 0.00 0.00 41.12 40.70 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 -1.82 0.20 -3.10 -1.24 -0.58 -0.86 -4.90 120.64 108.34 2jns n GLU 59 Ca 0.03 -0.06 -0.42 0.00 -0.42 0.00 0.00 57.16 56.29 2jns n GLU 59 Cb 0.20 -1.51 -0.07 0.00 -0.57 0.00 0.00 31.44 29.50 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 -3.16 4.84 -0.01 -3.67 1.01 -1.08 -5.00 121.20 114.14 2jns s ILE 60 Ca 0.03 0.38 -0.28 0.00 0.00 0.00 0.00 60.65 60.78 2jns s ILE 60 Cb 0.15 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 2jns s ILE 60 CO 0.87 -0.46 0.91 -1.83 0.00 0.00 0.00 174.94 174.43 2jns s GLU 61 N 2.80 4.54 -0.23 2.79 -1.05 -1.26 -5.03 118.70 121.26 2jns s GLU 61 Ca 0.24 1.29 -0.27 0.00 -0.15 0.00 0.00 54.97 56.08 2jns s GLU 61 Cb -0.14 -3.45 0.00 0.00 -0.44 0.00 0.00 34.13 30.10 2jns s GLU 61 CO 0.17 -0.01 0.96 0.42 0.95 0.00 0.00 175.26 177.75 2jns s ILE 62 N 0.91 4.74 -0.04 1.83 1.01 -1.26 -5.03 121.20 123.36 2jns s ILE 62 Ca 0.48 1.86 0.02 0.00 0.00 0.00 0.00 60.65 63.01 2jns s ILE 62 Cb -0.20 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.04 2jns s ILE 62 CO 0.26 -0.13 -0.09 -0.62 0.00 0.00 0.00 174.94 174.36 2jns s ASP 63 N 1.24 1.24 0.00 3.58 -1.08 -1.26 -5.03 116.67 115.37 2jns s ASP 63 Ca 0.41 -0.19 0.24 0.00 -0.52 0.00 0.00 52.55 52.49 2jns s ASP 63 Cb -0.15 -0.44 0.38 0.00 -1.46 0.00 0.00 42.92 41.25 2jns s ASP 63 CO 0.07 0.03 1.33 0.49 0.52 0.00 0.00 175.17 177.61 2jns n PHE 64 N 3.56 0.02 0.11 -5.34 3.01 -1.26 -3.64 117.46 113.92 2jns n PHE 64 Ca -0.21 0.01 0.08 0.00 1.01 0.00 0.00 57.45 58.33 2jns n PHE 64 Cb 0.53 -0.23 0.02 0.00 -0.01 0.00 0.00 39.48 39.79 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 -3.37 114.58 112.23 2jns h GLU 65 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.18 2jns h GLU 65 Cb 0.51 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 2jns h GLU 65 CO 0.00 0.14 -2.05 0.25 0.07 0.00 0.00 179.01 177.43 2jns n THR 66 N -2.89 0.93 -2.12 -1.06 -2.24 -1.26 -4.97 114.28 100.67 2jns n THR 66 Ca -0.01 -0.63 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 2jns n THR 66 Cb 0.64 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.37 2jns n THR 66 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2jns s LEU 67 N -5.02 4.42 0.76 3.22 1.43 -1.24 -5.00 118.68 117.24 2jns s LEU 67 Ca -0.08 2.61 -0.13 0.00 -1.03 0.00 0.00 54.13 55.50 2jns s LEU 67 Cb 0.06 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.70 2jns s LEU 67 CO 0.66 -0.57 1.14 -0.54 0.23 0.00 0.00 176.35 177.27 2jns s LYS 68 N -1.00 2.12 0.25 1.70 1.02 -1.26 -4.87 119.74 117.70 2jns s LYS 68 Ca 0.54 1.48 -0.06 0.00 0.02 0.00 0.00 55.97 57.95 2jns s LYS 68 Cb -0.39 -1.86 0.28 0.00 -0.52 0.00 0.00 37.83 35.34 2jns s LYS 68 CO 0.47 -1.79 1.91 -1.00 -0.92 0.00 0.00 175.35 174.02 2jns h PRO 69 N -0.72 1.26 -0.58 -1.68 0.13 -1.94 -1.69 132.00 126.78 2jns h PRO 69 Ca -0.45 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2jns h PRO 69 Cb 1.26 -0.28 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2jns h PRO 69 CO 0.50 0.83 0.35 0.66 -0.23 0.00 0.00 178.00 180.11 2jns h SER 70 N 1.30 0.69 0.44 1.44 4.64 -1.92 -1.14 113.55 119.00 2jns h SER 70 Ca 0.37 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 2jns h SER 70 Cb -0.09 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 2jns h SER 70 CO -0.10 0.53 -0.21 0.74 -0.87 0.00 0.00 176.83 176.92 2jns h THR 71 N 0.80 0.54 -0.50 2.95 2.02 -1.67 -3.05 112.91 113.99 2jns h THR 71 Ca 0.21 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 67.08 2jns h THR 71 Cb -0.04 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 2jns h THR 71 CO -0.04 0.06 0.33 -0.07 0.37 0.00 0.00 175.52 176.17 2jns h LEU 72 N -0.79 0.55 -2.06 2.58 3.38 -1.23 -2.15 115.31 115.59 2jns h LEU 72 Ca -0.06 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2jns h LEU 72 Cb 0.54 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2jns h LEU 72 CO 0.10 0.39 0.18 -0.09 0.09 0.00 0.00 178.44 179.11 2jns h ARG 73 N 0.64 0.00 0.04 1.13 9.65 -1.10 -0.46 114.38 124.28 2jns h ARG 73 Ca 0.19 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.81 2jns h ARG 73 Cb -0.03 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 2jns h ARG 73 CO -0.04 0.00 -1.35 0.93 2.80 0.00 0.00 179.97 182.31 2jns h GLU 74 N 0.00 0.08 -0.40 0.20 5.08 -1.41 -3.15 114.58 114.98 2jns h GLU 74 Ca 0.11 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2jns h GLU 74 Cb 0.47 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2jns h GLU 74 CO -0.00 0.91 0.14 -0.07 -1.00 0.00 0.00 179.01 178.98 2jns h LEU 75 N 0.02 0.58 -0.85 1.33 3.38 -1.07 -1.90 115.31 116.79 2jns h LEU 75 Ca -0.16 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2jns h LEU 75 Cb 1.91 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.47 2jns h LEU 75 CO 0.13 0.62 0.56 -0.08 0.09 0.00 0.00 178.44 179.76 2jns h GLU 76 N 0.50 1.11 -0.57 1.13 4.57 -1.34 -1.95 114.58 118.03 2jns h GLU 76 Ca 0.13 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2jns h GLU 76 Cb 0.24 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 2jns h GLU 76 CO -0.01 0.73 0.25 -0.09 -1.18 0.00 0.00 179.01 178.72 2jns h ARG 77 N 1.14 0.84 0.33 1.92 2.43 -1.43 -1.43 114.38 118.18 2jns h ARG 77 Ca 0.32 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2jns h ARG 77 Cb -0.11 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2jns h ARG 77 CO -0.08 0.71 -0.16 -0.92 -1.51 0.00 0.00 179.97 178.01 2jns h TYR 78 N 0.78 -0.41 -0.34 2.20 3.20 -0.79 -1.63 116.97 119.99 2jns h TYR 78 Ca 0.19 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 2jns h TYR 78 Cb 0.16 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 2jns h TYR 78 CO 0.00 -0.17 0.03 -0.39 -1.64 0.00 0.00 178.16 175.99 2jns h VAL 79 N -0.58 0.78 -0.01 1.81 -1.51 -1.32 0.45 116.25 115.87 2jns h VAL 79 Ca -0.05 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 2jns h VAL 79 Cb 0.43 0.64 -0.00 0.00 -2.13 0.00 0.00 31.29 30.23 2jns h VAL 79 CO 0.07 0.02 0.02 0.74 -1.23 0.00 0.00 177.57 177.20 2jns h THR 80 N 0.13 0.22 0.00 7.19 2.02 -1.18 -0.17 112.91 121.11 2jns h THR 80 Ca 0.16 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.19 2jns h THR 80 Cb 0.21 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2jns h THR 80 CO -0.25 0.00 -1.29 -1.28 0.37 0.00 0.00 175.52 173.07 2jns h SER 81 N 0.00 0.00 0.32 4.18 0.87 0.08 -2.91 113.55 116.09 2jns h SER 81 Ca 0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 2jns h SER 81 Cb 0.04 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 2jns h SER 81 CO -0.00 0.52 -1.93 0.00 -0.53 0.00 0.00 176.83 174.89 2jns h LEU 83 N 0.01 0.00-10.16 0.00 3.38 -1.24 -3.48 115.31 103.82 2jns h LEU 83 Ca -0.37 -0.17 -0.48 0.00 0.09 0.00 0.00 57.88 56.94 2jns h LEU 83 Cb 2.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.82 2jns h LEU 83 CO 0.06 0.79 0.24 -0.13 0.09 0.00 0.00 178.44 179.49 2jns s ARG 84 N -2.02 3.88 -0.14 1.13 1.81 -1.10 -5.03 118.95 117.48 2jns s ARG 84 Ca -0.12 0.71 -0.26 0.00 -1.72 0.00 0.00 55.73 54.34 2jns s ARG 84 Cb 0.01 -2.27 -0.25 0.00 -0.45 0.00 0.00 34.95 31.99 2jns s ARG 84 CO 0.24 -0.13 0.66 -0.22 -0.68 0.00 0.00 175.30 175.17 2jns h LYS 85 N 1.16 0.04 -7.27 3.54 1.63 -1.88 -3.41 116.57 110.37 2jns h LYS 85 Ca -0.47 -0.06 -0.49 0.00 -0.85 0.00 0.00 60.65 58.78 2jns h LYS 85 Cb 1.19 0.02 0.06 0.00 -0.60 0.00 0.00 32.23 32.90 2jns h LYS 85 CO 0.63 1.03 0.31 -1.59 -3.45 0.00 0.00 179.45 176.37 2jns s LYS 86 N -2.28 3.16 0.04 1.90 -2.85 -1.26 -5.05 119.74 113.40 2jns s LYS 86 Ca -0.20 0.37 -0.16 0.00 -1.00 0.00 0.00 55.97 54.97 2jns s LYS 86 Cb -0.01 -2.16 0.03 0.00 -2.06 0.00 0.00 37.83 33.64 2jns s LYS 86 CO 0.69 -0.71 0.37 -0.98 0.10 0.00 0.00 175.35 174.82 2jns s ARG 87 N -5.12 0.86 -0.45 1.78 3.03 -1.26 -4.84 118.95 112.94 2jns s ARG 87 Ca 0.55 -0.39 0.03 0.00 2.03 0.00 0.00 55.73 57.95 2jns s ARG 87 Cb -0.11 0.38 0.16 0.00 -1.03 0.00 0.00 34.95 34.35 2jns s ARG 87 CO 0.49 -0.28 0.34 0.21 -1.13 0.00 0.00 175.30 174.93 2jns s LYS 88 N -2.40 1.15 0.00 3.89 2.20 -1.26 -5.13 119.74 118.19 2jns s LYS 88 Ca -0.06 -2.20 0.00 0.00 -0.36 0.00 0.00 55.97 53.36 2jns s LYS 88 Cb -0.01 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.49 2jns s LYS 88 CO -0.02 -1.33 0.00 -0.35 -0.36 0.00 0.00 175.35 173.29 2jns n PRO 89 N 2.93 0.36 0.00 4.03 -0.04 -1.26 -5.14 135.00 135.87 2jns n PRO 89 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2jns n PRO 89 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2jns n PRO 89 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40