#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr2 s PRO 2 N 0.00 4.40 -0.13 2.12 0.02 -1.26 -4.95 135.00 135.20 2jr2 s PRO 2 Ca 0.00 1.85 0.18 0.00 0.02 0.00 0.00 61.00 63.04 2jr2 s PRO 2 Cb 0.00 -2.97 0.30 0.00 0.02 0.00 0.00 34.50 31.84 2jr2 s PRO 2 CO 0.00 -0.02 1.15 1.51 -0.33 0.00 0.00 177.00 179.32 2jr2 n ILE 3 N 0.72 1.87 0.14 2.83 3.06 -1.26 -4.78 119.36 121.94 2jr2 n ILE 3 Ca 0.01 -2.31 0.12 0.00 -2.50 0.00 0.00 62.75 58.07 2jr2 n ILE 3 Cb 0.45 -0.22 0.63 0.00 0.54 0.00 0.00 39.64 41.04 2jr2 n ILE 3 CO 0.00 0.00 0.00 -0.37 -2.50 0.00 0.00 176.55 173.68 2jr2 h VAL 4 N 0.26 0.92 -3.28 9.51 -1.51 -2.08 -3.39 116.25 116.68 2jr2 h VAL 4 Ca -0.00 -0.02 -0.50 0.00 -1.23 0.00 0.00 66.70 64.94 2jr2 h VAL 4 Cb 1.01 0.84 -0.36 0.00 -2.13 0.00 0.00 31.29 30.65 2jr2 h VAL 4 CO 0.00 0.01 -0.80 -0.44 -1.23 0.00 0.00 177.57 175.11 2jr2 s SER 5 N -6.72 1.90 0.00 4.19 0.01 -1.26 -5.07 113.70 106.76 2jr2 s SER 5 Ca -0.05 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2jr2 s SER 5 Cb 0.18 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.64 2jr2 s SER 5 CO 0.70 -0.08 0.00 0.29 0.41 0.00 0.00 173.24 174.56 2jr2 n LYS 6 N 4.57 0.00 -4.05 12.44 4.76 -1.26 -5.09 118.16 129.53 2jr2 n LYS 6 Ca -0.16 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.16 2jr2 n LYS 6 Cb 0.51 -0.02 -0.12 0.00 -1.84 0.00 0.00 35.03 33.56 2jr2 n LYS 6 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2jr2 s TYR 7 N 0.00 0.51 0.16 2.13 2.02 -1.26 -5.13 117.35 115.78 2jr2 s TYR 7 Ca 0.00 -0.42 -0.30 0.00 -0.37 0.00 0.00 57.07 55.98 2jr2 s TYR 7 Cb 0.00 -0.32 -0.07 0.00 -0.40 0.00 0.00 41.96 41.17 2jr2 s TYR 7 CO 0.00 -0.09 1.07 -1.12 -1.57 0.00 0.00 175.55 173.84 2jr2 s SER 8 N -1.27 7.31 0.22 2.29 0.01 -1.26 -4.95 113.70 116.06 2jr2 s SER 8 Ca -0.09 2.02 -0.08 0.00 1.31 0.00 0.00 55.95 59.11 2jr2 s SER 8 Cb -0.08 -2.60 0.27 0.00 0.21 0.00 0.00 66.02 63.82 2jr2 s SER 8 CO -0.00 -0.19 1.84 0.78 0.41 0.00 0.00 173.24 176.08 2jr2 h ASN 9 N 5.29 0.75 -0.97 2.44 -0.26 -2.00 -1.89 115.58 118.94 2jr2 h ASN 9 Ca -0.44 0.01 0.05 0.00 -0.56 0.00 0.00 56.30 55.36 2jr2 h ASN 9 Cb 1.21 -0.15 -0.06 0.00 -1.06 0.00 0.00 38.32 38.27 2jr2 h ASN 9 CO 0.73 0.50 0.63 -0.33 -1.06 0.00 0.00 177.43 177.89 2jr2 h GLU 10 N 0.89 1.14 -0.14 0.81 3.07 -1.98 0.40 114.58 118.77 2jr2 h GLU 10 Ca 0.33 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 2jr2 h GLU 10 Cb 0.12 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 2jr2 h GLU 10 CO -0.15 0.76 0.03 -0.09 -1.40 0.00 0.00 179.01 178.16 2jr2 h ARG 11 N 1.18 0.23 -0.46 2.33 2.43 -1.77 0.78 114.38 119.11 2jr2 h ARG 11 Ca 0.40 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2jr2 h ARG 11 Cb 0.08 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2jr2 h ARG 11 CO -0.15 0.40 0.29 0.28 -1.51 0.00 0.00 179.97 179.29 2jr2 h VAL 12 N 0.03 1.13 -0.57 0.20 2.07 -0.79 -0.32 116.25 117.99 2jr2 h VAL 12 Ca 0.04 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.37 2jr2 h VAL 12 Cb 0.28 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 2jr2 h VAL 12 CO 0.00 0.12 0.30 -0.08 0.02 0.00 0.00 177.57 177.93 2jr2 h GLU 13 N 0.61 0.55 -0.56 1.57 4.81 -0.07 -1.09 114.58 120.40 2jr2 h GLU 13 Ca 0.17 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2jr2 h GLU 13 Cb -0.05 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 2jr2 h GLU 13 CO -0.03 0.36 0.26 -0.22 -0.73 0.00 0.00 179.01 178.65 2jr2 h LYS 14 N 0.56 0.81 -0.77 1.92 3.64 -0.33 -0.79 116.57 121.62 2jr2 h LYS 14 Ca 0.26 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2jr2 h LYS 14 Cb 0.17 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 2jr2 h LYS 14 CO -0.18 0.67 0.48 0.82 -2.27 0.00 0.00 179.45 178.97 2jr2 h ILE 15 N 0.75 1.07 -0.39 2.00 2.04 -0.42 0.42 117.51 122.99 2jr2 h ILE 15 Ca 0.19 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2jr2 h ILE 15 Cb 0.13 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 2jr2 h ILE 15 CO -0.02 0.17 0.26 0.40 0.00 0.00 0.00 178.15 178.95 2jr2 h ILE 16 N 0.91 1.09 -0.70 -0.67 2.04 -0.86 -1.34 117.51 117.98 2jr2 h ILE 16 Ca 0.32 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 2jr2 h ILE 16 Cb 0.08 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2jr2 h ILE 16 CO -0.14 0.10 0.22 -0.61 0.00 0.00 0.00 178.15 177.72 2jr2 h GLN 17 N 0.52 1.09 -0.86 2.37 5.75 0.01 -0.25 115.11 123.74 2jr2 h GLN 17 Ca 0.14 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2jr2 h GLN 17 Cb -0.05 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.30 2jr2 h GLN 17 CO -0.04 0.93 0.53 -0.44 -2.65 0.00 0.00 178.83 177.17 2jr2 h ASP 18 N 1.03 1.02 -0.73 -0.69 5.19 0.05 0.42 116.42 122.71 2jr2 h ASP 18 Ca 0.23 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2jr2 h ASP 18 Cb 0.30 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.52 2jr2 h ASP 18 CO -0.01 0.77 0.32 -0.07 -3.12 0.00 0.00 179.24 177.14 2jr2 h LEU 19 N 1.17 0.99 -1.02 1.55 3.38 -0.78 -2.19 115.31 118.41 2jr2 h LEU 19 Ca 0.31 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2jr2 h LEU 19 Cb -0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 2jr2 h LEU 19 CO -0.06 0.87 -0.05 -0.07 0.09 0.00 0.00 178.44 179.21 2jr2 h LEU 20 N 1.04 0.61 -0.91 1.67 3.38 -0.15 -2.36 115.31 118.61 2jr2 h LEU 20 Ca 0.25 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.14 2jr2 h LEU 20 Cb 0.16 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 2jr2 h LEU 20 CO -0.03 0.72 0.57 0.44 0.09 0.00 0.00 178.44 180.23 2jr2 h ASP 21 N 0.60 0.89 -0.30 -0.43 3.32 0.41 0.40 116.42 121.31 2jr2 h ASP 21 Ca 0.12 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2jr2 h ASP 21 Cb 0.45 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2jr2 h ASP 21 CO 0.02 0.56 0.09 0.58 -1.72 0.00 0.00 179.24 178.77 2jr2 h VAL 22 N 1.02 1.21 -0.62 -1.35 2.07 -1.04 0.12 116.25 117.66 2jr2 h VAL 22 Ca 0.40 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 2jr2 h VAL 22 Cb 0.21 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2jr2 h VAL 22 CO -0.19 0.23 0.04 -0.07 0.02 0.00 0.00 177.57 177.60 2jr2 h LEU 23 N 0.33 1.03 -0.51 2.57 3.38 -0.79 -2.48 115.31 118.84 2jr2 h LEU 23 Ca 0.10 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 2jr2 h LEU 23 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2jr2 h LEU 23 CO -0.00 1.05 -0.74 0.58 0.09 0.00 0.00 178.44 179.42 2jr2 h VAL 24 N 0.98 1.52 -0.67 1.22 2.07 -0.20 0.86 116.25 122.03 2jr2 h VAL 24 Ca 0.18 -2.51 0.01 0.00 0.82 0.00 0.00 66.70 65.21 2jr2 h VAL 24 Cb 0.50 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 2jr2 h VAL 24 CO 0.02 0.72 0.44 0.50 0.02 0.00 0.00 177.57 179.27 2jr2 h LYS 25 N 0.02 0.86 0.00 1.57 3.64 -0.34 -2.37 116.57 119.94 2jr2 h LYS 25 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jr2 h LYS 25 Cb 1.31 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2jr2 h LYS 25 CO 0.10 0.57 -0.86 0.39 -2.27 0.00 0.00 179.45 177.38 2jr2 n GLU 26 N -4.64 0.42 -3.50 1.90 -0.58 -0.97 -4.98 120.64 108.30 2jr2 n GLU 26 Ca 0.06 0.08 -0.20 0.00 -0.42 0.00 0.00 57.16 56.68 2jr2 n GLU 26 Cb 0.04 -1.72 0.06 0.00 -0.57 0.00 0.00 31.44 29.24 2jr2 n GLU 26 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jr2 n GLU 27 N -2.31 -3.89 -1.47 3.49 1.02 0.23 -4.96 120.64 112.74 2jr2 n GLU 27 Ca 0.02 0.72 -0.32 0.00 -0.02 0.00 0.00 57.16 57.55 2jr2 n GLU 27 Cb 0.48 -5.37 0.08 0.00 -0.02 0.00 0.00 31.44 26.61 2jr2 n GLU 27 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2jr2 s VAL 28 N -3.48 3.00 0.63 2.62 -7.23 -0.80 -5.03 120.40 110.12 2jr2 s VAL 28 Ca 0.22 0.42 -0.11 0.00 -1.81 0.00 0.00 61.98 60.69 2jr2 s VAL 28 Cb -0.05 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 2jr2 s VAL 28 CO 0.78 -0.34 1.03 0.42 -0.31 0.00 0.00 175.10 176.69 2jr2 s THR 29 N -2.46 4.57 0.29 5.32 -4.23 -1.26 -4.82 115.64 113.05 2jr2 s THR 29 Ca 0.67 0.85 0.04 0.00 -1.18 0.00 0.00 61.69 62.06 2jr2 s THR 29 Cb -0.21 -3.77 0.29 0.00 1.34 0.00 0.00 72.50 70.14 2jr2 s THR 29 CO 0.47 -1.07 1.79 -0.65 -0.54 0.00 0.00 174.62 174.62 2jr2 h PRO 30 N -0.34 0.79 0.01 3.99 0.11 -1.99 0.31 132.00 134.88 2jr2 h PRO 30 Ca -0.44 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jr2 h PRO 30 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2jr2 h PRO 30 CO 0.61 0.52 -0.01 0.22 -0.21 0.00 0.00 178.00 179.13 2jr2 h ASP 31 N 0.81 -0.01 -0.83 -2.05 3.58 -1.99 -1.68 116.42 114.24 2jr2 h ASP 31 Ca 0.54 -0.29 0.02 0.00 0.42 0.00 0.00 57.03 57.71 2jr2 h ASP 31 Cb 0.75 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.76 2jr2 h ASP 31 CO -0.35 0.28 0.55 0.25 -2.88 0.00 0.00 179.24 177.09 2jr2 h LEU 32 N -0.32 0.93 -0.06 2.28 5.85 -1.72 0.52 115.31 122.79 2jr2 h LEU 32 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jr2 h LEU 32 Cb 0.31 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2jr2 h LEU 32 CO 0.00 0.66 0.04 0.00 -0.34 0.00 0.00 178.44 178.80 2jr2 h ALA 33 N 1.49 0.07 -0.52 1.25 0.00 -0.31 -0.24 119.26 121.00 2jr2 h ALA 33 Ca 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2jr2 h ALA 33 Cb -0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2jr2 h ALA 33 CO -0.08 -0.43 0.25 -0.07 0.00 0.00 0.00 179.25 178.93 2jr2 h LEU 34 N 0.07 0.68 -0.68 0.00 3.38 -0.52 0.15 115.31 118.39 2jr2 h LEU 34 Ca 0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2jr2 h LEU 34 Cb 0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2jr2 h LEU 34 CO -0.00 0.61 0.27 -0.03 0.09 0.00 0.00 178.44 179.37 2jr2 h MET 35 N 0.69 1.03 -0.01 1.13 4.05 -0.78 0.14 114.93 121.18 2jr2 h MET 35 Ca 0.18 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2jr2 h MET 35 Cb 0.11 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 2jr2 h MET 35 CO -0.02 0.86 -0.03 0.00 0.23 0.00 0.00 176.91 177.94 2jr2 h LEU 37 N -0.58 -0.04 -1.31 0.00 3.38 -0.67 -1.16 115.31 114.94 2jr2 h LEU 37 Ca -0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2jr2 h LEU 37 Cb 0.67 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2jr2 h LEU 37 CO 0.01 0.12 0.31 1.23 0.09 0.00 0.00 178.44 180.20 2jr2 h GLY 38 N -0.20 0.83 1.03 0.83 0.00 -0.84 0.18 103.07 104.90 2jr2 h GLY 38 Ca -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 2jr2 h GLY 38 CO 0.01 0.35 -0.16 -0.57 0.00 0.00 0.00 176.54 176.16 2jr2 h ASN 39 N 0.79 0.88 -0.46 0.19 -0.73 -1.29 -0.28 115.58 114.68 2jr2 h ASN 39 Ca 0.20 -0.39 -0.05 0.00 1.87 0.00 0.00 56.30 57.94 2jr2 h ASN 39 Cb 0.03 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.36 2jr2 h ASN 39 CO -0.03 1.07 0.10 0.00 -0.37 0.00 0.00 177.43 178.19 2jr2 h ALA 40 N 0.84 0.61 -0.47 1.57 0.00 -0.42 -0.84 119.26 120.55 2jr2 h ALA 40 Ca 0.10 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2jr2 h ALA 40 Cb 0.71 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2jr2 h ALA 40 CO 0.05 0.32 0.26 0.28 0.00 0.00 0.00 179.25 180.16 2jr2 h VAL 41 N 0.63 1.02 -0.74 0.00 2.07 -0.52 -1.24 116.25 117.46 2jr2 h VAL 41 Ca 0.14 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2jr2 h VAL 41 Cb 0.35 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2jr2 h VAL 41 CO 0.00 0.10 0.45 0.74 0.02 0.00 0.00 177.57 178.89 2jr2 h THR 42 N 0.52 1.06 -0.65 2.57 2.02 -0.78 0.18 112.91 117.84 2jr2 h THR 42 Ca 0.19 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2jr2 h THR 42 Cb 0.05 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 2jr2 h THR 42 CO -0.11 0.16 0.35 -1.13 0.37 0.00 0.00 175.52 175.16 2jr2 h ASN 43 N 0.87 0.79 -0.01 4.18 -1.24 -0.53 -0.06 115.58 119.59 2jr2 h ASN 43 Ca 0.31 -0.06 -0.09 0.00 0.71 0.00 0.00 56.30 57.17 2jr2 h ASN 43 Cb 0.08 -0.20 0.01 0.00 0.73 0.00 0.00 38.32 38.94 2jr2 h ASN 43 CO -0.14 0.64 -0.35 0.40 -1.29 0.00 0.00 177.43 176.70 2jr2 h ILE 44 N 0.90 1.50 0.00 2.57 1.08 -0.37 -3.26 117.51 119.93 2jr2 h ILE 44 Ca 0.23 -1.95 -0.04 0.00 -0.39 0.00 0.00 64.86 62.71 2jr2 h ILE 44 Cb 0.02 2.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 2jr2 h ILE 44 CO -0.04 0.55 -0.17 0.40 -0.69 0.00 0.00 178.15 178.20 2jr2 h ILE 45 N -0.36 1.04 0.00 -0.67 2.04 -0.50 -1.11 117.51 117.95 2jr2 h ILE 45 Ca -0.04 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 2jr2 h ILE 45 Cb 1.08 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2jr2 h ILE 45 CO 0.07 0.17 -0.04 0.00 0.00 0.00 0.00 178.15 178.35 2jr2 h ALA 46 N 1.83 1.18 -0.01 1.87 0.00 -1.04 -0.23 119.26 122.87 2jr2 h ALA 46 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jr2 h ALA 46 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jr2 h ALA 46 CO 0.02 0.05 -0.12 1.04 0.00 0.00 0.00 179.25 180.24 2jr2 n GLN 47 N -3.40 0.98 -3.05 0.00 6.02 -0.42 -4.80 117.38 112.71 2jr2 n GLN 47 Ca -0.02 -0.45 -0.39 0.00 -0.01 0.00 0.00 57.00 56.13 2jr2 n GLN 47 Cb 0.16 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 2jr2 n GLN 47 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2jr2 s VAL 48 N -2.33 4.66 0.25 5.09 1.01 -0.10 -5.02 120.40 123.95 2jr2 s VAL 48 Ca 0.31 1.55 -0.31 0.00 0.00 0.00 0.00 61.98 63.54 2jr2 s VAL 48 Cb 0.20 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 2jr2 s VAL 48 CO 0.45 0.44 1.57 -2.84 0.00 0.00 0.00 175.10 174.71 2jr2 s PRO 49 N -0.48 4.18 0.17 2.72 0.02 -1.26 -4.66 135.00 135.68 2jr2 s PRO 49 Ca 0.36 2.47 -0.08 0.00 0.02 0.00 0.00 61.00 63.76 2jr2 s PRO 49 Cb -0.21 -3.08 0.23 0.00 0.02 0.00 0.00 34.50 31.47 2jr2 s PRO 49 CO 0.23 -0.59 1.01 -1.91 -0.33 0.00 0.00 177.00 175.41 2jr2 n GLU 50 N 2.77 -0.10 -0.04 5.54 4.07 -1.26 -0.72 120.64 130.89 2jr2 n GLU 50 Ca 0.10 1.01 0.17 0.00 -0.06 0.00 0.00 57.16 58.38 2jr2 n GLU 50 Cb 0.38 -1.50 0.62 0.00 -0.06 0.00 0.00 31.44 30.88 2jr2 n GLU 50 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2jr2 h SER 51 N 0.00 0.14 0.00 4.31 0.87 -2.04 -1.20 113.55 115.64 2jr2 h SER 51 Ca 0.27 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2jr2 h SER 51 Cb 0.43 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2jr2 h SER 51 CO -0.66 0.08 0.00 2.29 -0.53 0.00 0.00 176.83 178.01 2jr2 n LYS 52 N -4.42 1.64 0.11 2.24 2.85 0.10 -4.72 118.16 115.95 2jr2 n LYS 52 Ca 0.10 -1.15 -0.20 0.00 -1.05 0.00 0.00 58.31 56.01 2jr2 n LYS 52 Cb 0.53 -0.98 -0.15 0.00 -0.65 0.00 0.00 35.03 33.78 2jr2 n LYS 52 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2jr2 h ARG 53 N 0.00 0.38 -0.29 -1.58 2.43 0.37 -2.91 114.38 112.78 2jr2 h ARG 53 Ca 0.00 -0.65 -0.11 0.00 -0.81 0.00 0.00 59.98 58.41 2jr2 h ARG 53 Cb 0.35 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2jr2 h ARG 53 CO 0.00 1.29 -0.29 0.28 -1.51 0.00 0.00 179.97 179.74 2jr2 h VAL 54 N 0.10 1.28 -0.04 0.20 2.07 -1.84 -2.64 116.25 115.39 2jr2 h VAL 54 Ca -0.23 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 2jr2 h VAL 54 Cb 2.07 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2jr2 h VAL 54 CO 0.22 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.26 2jr2 h ALA 55 N 1.16 0.05 -0.48 1.67 0.00 -1.86 -2.55 119.26 117.25 2jr2 h ALA 55 Ca 0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2jr2 h ALA 55 Cb 0.77 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2jr2 h ALA 55 CO 0.06 -0.30 -0.08 -0.39 0.00 0.00 0.00 179.25 178.54 2jr2 h VAL 56 N -0.21 1.26 -0.22 0.00 -1.51 -1.48 -0.01 116.25 114.08 2jr2 h VAL 56 Ca 0.01 -1.16 -0.15 0.00 -1.23 0.00 0.00 66.70 64.17 2jr2 h VAL 56 Cb 0.30 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 2jr2 h VAL 56 CO 0.00 0.40 -0.47 1.62 -1.23 0.00 0.00 177.57 177.90 2jr2 h VAL 57 N 0.77 1.31 0.10 7.19 3.04 -1.50 0.21 116.25 127.36 2jr2 h VAL 57 Ca 0.13 -1.67 -0.27 0.00 -1.01 0.00 0.00 66.70 63.88 2jr2 h VAL 57 Cb 0.58 1.64 0.03 0.00 -2.01 0.00 0.00 31.29 31.53 2jr2 h VAL 57 CO 0.04 0.53 -1.13 -0.78 -1.01 0.00 0.00 177.57 175.21 2jr2 h ASP 58 N 0.47 0.83 -0.86 3.17 3.58 -1.27 -2.17 116.42 120.17 2jr2 h ASP 58 Ca 0.03 -0.82 -0.03 0.00 0.42 0.00 0.00 57.03 56.63 2jr2 h ASP 58 Cb 0.99 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.74 2jr2 h ASP 58 CO 0.09 1.56 0.43 0.78 -2.88 0.00 0.00 179.24 179.22 2jr2 h ASN 59 N 0.21 1.11 0.28 2.28 2.35 -0.99 0.22 115.58 121.05 2jr2 h ASN 59 Ca -0.17 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2jr2 h ASN 59 Cb 1.82 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.87 2jr2 h ASN 59 CO 0.22 0.92 -0.41 0.15 -1.65 0.00 0.00 177.43 176.66 2jr2 h PHE 60 N 1.22 -1.13 -0.23 1.19 3.57 -0.93 0.09 116.94 120.72 2jr2 h PHE 60 Ca 0.30 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 2jr2 h PHE 60 Cb 0.10 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2jr2 h PHE 60 CO 0.01 -0.54 -0.35 1.79 -2.23 0.00 0.00 178.31 177.00 2jr2 h THR 61 N -0.75 1.29 -0.19 4.41 1.35 -1.13 -0.38 112.91 117.51 2jr2 h THR 61 Ca -0.01 -1.46 -0.03 0.00 -0.55 0.00 0.00 66.41 64.36 2jr2 h THR 61 Cb 0.71 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 2jr2 h THR 61 CO -0.14 0.46 -0.01 0.50 -0.25 0.00 0.00 175.52 176.08 2jr2 h LYS 62 N 0.43 0.35 -0.06 4.72 3.64 -0.46 -1.68 116.57 123.50 2jr2 h LYS 62 Ca 0.05 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2jr2 h LYS 62 Cb 0.81 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2jr2 h LYS 62 CO 0.07 0.56 -0.27 0.00 -2.27 0.00 0.00 179.45 177.54 2jr2 h ALA 63 N 0.77 1.45 -0.37 5.00 0.00 -0.78 -2.45 119.26 122.88 2jr2 h ALA 63 Ca 0.05 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2jr2 h ALA 63 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jr2 h ALA 63 CO 0.01 0.40 -0.30 1.25 0.00 0.00 0.00 179.25 180.61 2jr2 h LEU 64 N 0.10 0.90 -0.63 0.00 6.46 -0.88 0.41 115.31 121.66 2jr2 h LEU 64 Ca 0.01 -0.45 0.04 0.00 -0.12 0.00 0.00 57.88 57.37 2jr2 h LEU 64 Cb 0.52 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.16 2jr2 h LEU 64 CO 0.04 1.16 0.36 0.11 -0.62 0.00 0.00 178.44 179.49 2jr2 h LYS 65 N 0.65 0.67 -0.41 1.25 1.79 -0.92 -1.00 116.57 118.59 2jr2 h LYS 65 Ca 0.07 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.41 2jr2 h LYS 65 Cb 0.88 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 2jr2 h LYS 65 CO 0.08 0.44 -0.07 1.96 -1.08 0.00 0.00 179.45 180.78 2jr2 h GLN 66 N 0.69 0.77 0.00 3.15 4.20 -1.24 -2.21 115.11 120.46 2jr2 h GLN 66 Ca 0.27 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2jr2 h GLN 66 Cb 0.11 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2jr2 h GLN 66 CO -0.15 0.88 0.00 -1.13 -0.67 0.00 0.00 178.83 177.77 2jr2 n SER 67 N -4.36 0.00 -0.06 1.46 3.41 0.12 -1.30 113.62 112.88 2jr2 n SER 67 Ca -0.01 -0.35 -0.10 0.00 -0.26 0.00 0.00 58.87 58.15 2jr2 n SER 67 Cb 0.34 -0.19 -0.15 0.00 -0.26 0.00 0.00 64.21 63.95 2jr2 n SER 67 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2jr2 n VAL 68 N -1.19 1.51 0.08 -3.33 0.31 -0.41 -3.60 118.33 111.70 2jr2 n VAL 68 Ca 0.15 -0.81 -0.05 0.00 -0.01 0.00 0.00 64.34 63.62 2jr2 n VAL 68 Cb 0.17 -0.81 -0.02 0.00 -0.91 0.00 0.00 33.84 32.27 2jr2 n VAL 68 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2jr2 h LEU 69 N 0.00 -0.26 0.05 7.52 3.38 -0.74 -3.34 115.31 121.91 2jr2 h LEU 69 Ca -0.43 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.35 2jr2 h LEU 69 Cb 2.12 0.07 0.02 0.00 0.09 0.00 0.00 40.66 42.96 2jr2 h LEU 69 CO 0.05 0.20 -0.76 -0.33 0.09 0.00 0.00 178.44 177.69 2jr2 h GLU 70 N -1.08 0.43 -2.51 1.13 5.08 -1.45 -3.30 114.58 112.87 2jr2 h GLU 70 Ca -0.03 -0.53 -0.49 0.00 -1.00 0.00 0.00 59.36 57.31 2jr2 h GLU 70 Cb 0.25 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2jr2 h GLU 70 CO 0.05 1.19 1.87 1.58 -1.00 0.00 0.00 179.01 182.70 2jr2 n HIS 71 N -4.12 1.49 -0.96 4.33 -0.00 -1.24 -4.65 115.22 110.07 2jr2 n HIS 71 Ca -0.12 -2.39 -0.16 0.00 0.46 0.00 0.00 57.72 55.51 2jr2 n HIS 71 Cb 0.76 -2.01 -0.00 0.00 -0.12 0.00 0.00 29.99 28.62 2jr2 n HIS 71 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2jr2 n HIS 72 N 2.75 1.19 -1.68 1.57 1.44 -1.25 -4.64 115.22 114.62 2jr2 n HIS 72 Ca 0.62 -1.78 0.00 0.00 -2.01 0.00 0.00 57.72 54.55 2jr2 n HIS 72 Cb 0.51 -1.02 0.00 0.00 0.12 0.00 0.00 29.99 29.60 2jr2 n HIS 72 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2jr2 n HIS 73 N 0.80 -4.11 -3.22 -1.40 1.44 -1.26 -5.09 115.22 102.38 2jr2 n HIS 73 Ca 0.30 2.18 0.04 0.00 -2.01 0.00 0.00 57.72 58.24 2jr2 n HIS 73 Cb 0.59 -3.27 -0.02 0.00 0.12 0.00 0.00 29.99 27.41 2jr2 n HIS 73 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jr2 s HIS 74 N -3.20 -0.71 0.28 -1.40 5.04 -1.26 -5.15 115.29 108.88 2jr2 s HIS 74 Ca 0.00 0.88 -0.30 0.00 -1.54 0.00 0.00 55.06 54.10 2jr2 s HIS 74 Cb 0.00 0.30 -0.11 0.00 0.04 0.00 0.00 32.58 32.81 2jr2 s HIS 74 CO 0.00 -0.38 1.52 -1.58 -2.34 0.00 0.00 174.74 171.96 2jr2 s HIS 75 N 2.79 2.86 0.00 3.88 5.65 -1.26 -5.22 115.29 123.99 2jr2 s HIS 75 Ca 0.02 0.90 0.00 0.00 0.25 0.00 0.00 55.06 56.22 2jr2 s HIS 75 Cb -0.10 -3.96 0.00 0.00 -1.18 0.00 0.00 32.58 27.34 2jr2 s HIS 75 CO -0.14 -3.18 0.37 1.58 -0.65 0.00 0.00 174.74 172.72