#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 3.93 -0.66 0.03 0.02 -1.26 -5.00 135.00 132.06 2jr2 s PRO 2 Ca 0.00 1.93 -0.03 0.00 0.02 0.00 0.00 61.00 62.92 2jr2 s PRO 2 Cb 0.00 -2.62 0.17 0.00 0.02 0.00 0.00 34.50 32.07 2jr2 s PRO 2 CO 0.00 -0.45 0.48 0.96 -0.33 0.00 0.00 177.00 177.66 2jr2 s ILE 3 N -1.39 3.79 -0.55 2.83 -5.25 -1.26 -4.79 121.20 114.59 2jr2 s ILE 3 Ca 0.59 -3.08 0.06 0.00 -0.99 0.00 0.00 60.65 57.23 2jr2 s ILE 3 Cb -0.33 -3.46 0.14 0.00 2.95 0.00 0.00 42.46 41.76 2jr2 s ILE 3 CO 0.41 -0.90 1.04 1.33 -1.79 0.00 0.00 174.94 175.02 2jr2 n VAL 4 N 3.33 0.78 -2.30 8.37 0.24 -1.26 -4.98 118.33 122.52 2jr2 n VAL 4 Ca 0.10 -0.89 -0.41 0.00 -2.04 0.00 0.00 64.34 61.10 2jr2 n VAL 4 Cb 0.38 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.36 2jr2 n VAL 4 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2jr2 s SER 5 N -0.89 5.88 -0.13 -1.34 0.01 -1.26 -4.78 113.70 111.20 2jr2 s SER 5 Ca 0.11 0.25 0.16 0.00 1.31 0.00 0.00 55.95 57.77 2jr2 s SER 5 Cb 0.06 -2.54 -0.24 0.00 0.21 0.00 0.00 66.02 63.51 2jr2 s SER 5 CO 0.08 -1.91 0.33 0.29 0.41 0.00 0.00 173.24 172.43 2jr2 n LYS 6 N 8.91 0.66 -4.28 12.44 5.02 -1.26 -5.02 118.16 134.64 2jr2 n LYS 6 Ca 0.14 0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.39 2jr2 n LYS 6 Cb 0.50 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.77 2jr2 n LYS 6 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2jr2 s TYR 7 N -2.55 1.40 -0.13 2.13 2.02 -1.26 -5.12 117.35 113.84 2jr2 s TYR 7 Ca -0.08 -1.21 -0.28 0.00 -0.37 0.00 0.00 57.07 55.13 2jr2 s TYR 7 Cb 0.07 -0.79 -0.01 0.00 -0.40 0.00 0.00 41.96 40.82 2jr2 s TYR 7 CO 0.83 -0.40 0.93 0.45 -1.57 0.00 0.00 175.55 175.79 2jr2 s SER 8 N -3.26 7.12 0.38 2.29 0.15 -1.26 -4.93 113.70 114.19 2jr2 s SER 8 Ca 0.36 1.38 0.04 0.00 0.70 0.00 0.00 55.95 58.44 2jr2 s SER 8 Cb 0.07 -2.51 0.74 0.00 -1.71 0.00 0.00 66.02 62.61 2jr2 s SER 8 CO 0.12 -0.42 2.03 0.78 1.20 0.00 0.00 173.24 176.95 2jr2 h ASN 9 N 7.18 0.61 -0.58 5.45 2.35 -2.00 -0.64 115.58 127.95 2jr2 h ASN 9 Ca -0.30 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.41 2jr2 h ASN 9 Cb 1.14 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 2jr2 h ASN 9 CO 0.85 0.44 0.30 -0.33 -1.65 0.00 0.00 177.43 177.04 2jr2 h GLU 10 N 0.72 0.85 -0.14 0.81 3.07 -1.99 0.38 114.58 118.28 2jr2 h GLU 10 Ca 0.20 -0.10 -0.19 0.00 -0.50 0.00 0.00 59.36 58.77 2jr2 h GLU 10 Cb -0.08 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.67 2jr2 h GLU 10 CO -0.04 0.65 -0.68 -0.09 -1.40 0.00 0.00 179.01 177.45 2jr2 h ARG 11 N 0.85 0.57 0.02 2.33 2.43 -1.57 -2.24 114.38 116.77 2jr2 h ARG 11 Ca 0.21 -0.43 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2jr2 h ARG 11 Cb 0.07 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2jr2 h ARG 11 CO -0.03 1.05 -0.01 0.28 -1.51 0.00 0.00 179.97 179.75 2jr2 h VAL 12 N 0.41 1.03 -0.71 0.20 2.07 -0.44 -1.17 116.25 117.64 2jr2 h VAL 12 Ca -0.02 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.46 2jr2 h VAL 12 Cb 1.26 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 2jr2 h VAL 12 CO 0.13 0.03 0.47 -0.33 0.02 0.00 0.00 177.57 177.89 2jr2 h GLU 13 N -0.08 0.59 0.13 1.57 4.39 -0.93 -0.82 114.58 119.43 2jr2 h GLU 13 Ca -0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2jr2 h GLU 13 Cb 0.07 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2jr2 h GLU 13 CO 0.00 0.39 -0.06 -0.22 -1.16 0.00 0.00 179.01 177.96 2jr2 h LYS 14 N 0.61 -0.17 -0.77 2.33 3.64 -0.85 -1.92 116.57 119.43 2jr2 h LYS 14 Ca 0.33 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 2jr2 h LYS 14 Cb 0.47 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 2jr2 h LYS 14 CO -0.11 0.07 0.37 0.82 -2.27 0.00 0.00 179.45 178.33 2jr2 h ILE 15 N -0.41 1.24 -0.80 2.00 2.04 -0.54 0.16 117.51 121.20 2jr2 h ILE 15 Ca -0.02 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.17 2jr2 h ILE 15 Cb 0.33 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2jr2 h ILE 15 CO 0.03 0.29 0.53 0.40 0.00 0.00 0.00 178.15 179.40 2jr2 h ILE 16 N 1.10 1.19 -0.35 -0.67 2.04 -1.16 0.24 117.51 119.89 2jr2 h ILE 16 Ca 0.27 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2jr2 h ILE 16 Cb 0.11 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2jr2 h ILE 16 CO -0.03 0.19 0.17 -0.61 0.00 0.00 0.00 178.15 177.87 2jr2 h GLN 17 N 1.07 0.51 -0.91 2.37 5.75 -0.33 -0.64 115.11 122.93 2jr2 h GLN 17 Ca 0.30 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2jr2 h GLN 17 Cb -0.10 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.31 2jr2 h GLN 17 CO -0.07 0.46 0.57 -0.44 -2.65 0.00 0.00 178.83 176.70 2jr2 h ASP 18 N 0.44 1.07 -0.51 -0.69 3.32 -0.27 -0.11 116.42 119.67 2jr2 h ASP 18 Ca 0.12 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2jr2 h ASP 18 Cb 0.12 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2jr2 h ASP 18 CO -0.02 0.81 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.10 2jr2 h LEU 19 N 1.25 1.02 -0.95 1.55 3.38 -0.73 -2.28 115.31 118.55 2jr2 h LEU 19 Ca 0.33 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2jr2 h LEU 19 Cb -0.09 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.34 2jr2 h LEU 19 CO -0.07 1.15 0.44 -0.07 0.09 0.00 0.00 178.44 179.98 2jr2 h LEU 20 N 0.87 1.07 -1.45 1.67 3.38 -0.64 -1.92 115.31 118.29 2jr2 h LEU 20 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jr2 h LEU 20 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2jr2 h LEU 20 CO 0.05 0.87 0.19 0.44 0.09 0.00 0.00 178.44 180.09 2jr2 h ASP 21 N 1.18 0.50 -0.22 -0.43 5.19 -0.74 0.34 116.42 122.24 2jr2 h ASP 21 Ca 0.29 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2jr2 h ASP 21 Cb 0.06 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2jr2 h ASP 21 CO -0.04 0.43 0.13 0.58 -3.12 0.00 0.00 179.24 177.22 2jr2 h VAL 22 N 0.57 1.09 -0.57 -1.35 2.07 -0.79 0.98 116.25 118.25 2jr2 h VAL 22 Ca 0.14 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2jr2 h VAL 22 Cb 0.07 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2jr2 h VAL 22 CO -0.02 0.09 0.22 -0.07 0.02 0.00 0.00 177.57 177.81 2jr2 h LEU 23 N 0.27 0.78 -0.75 2.57 3.38 -0.88 -2.49 115.31 118.20 2jr2 h LEU 23 Ca 0.08 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2jr2 h LEU 23 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2jr2 h LEU 23 CO -0.01 0.74 -0.26 0.58 0.09 0.00 0.00 178.44 179.58 2jr2 h VAL 24 N 0.78 1.27 -0.12 1.22 2.07 -0.85 0.73 116.25 121.35 2jr2 h VAL 24 Ca 0.19 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 2jr2 h VAL 24 Cb 0.21 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2jr2 h VAL 24 CO -0.01 0.44 -0.03 0.50 0.02 0.00 0.00 177.57 178.49 2jr2 h LYS 25 N 0.58 0.17 0.00 1.57 3.64 -0.44 -2.33 116.57 119.76 2jr2 h LYS 25 Ca 0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2jr2 h LYS 25 Cb 0.75 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2jr2 h LYS 25 CO 0.06 0.22 -1.51 0.39 -2.27 0.00 0.00 179.45 176.34 2jr2 n GLU 26 N -4.40 0.44 -3.69 1.90 -0.58 -0.97 -4.98 120.64 108.36 2jr2 n GLU 26 Ca -0.01 -0.09 -0.24 0.00 -0.42 0.00 0.00 57.16 56.39 2jr2 n GLU 26 Cb 0.17 -1.56 0.06 0.00 -0.57 0.00 0.00 31.44 29.54 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 -2.07 -6.46 -1.99 3.49 1.02 0.23 -4.91 120.64 109.95 2jr2 n GLU 27 Ca -0.01 0.72 -0.41 0.00 -0.02 0.00 0.00 57.16 57.44 2jr2 n GLU 27 Cb 0.49 -5.63 -0.02 0.00 -0.02 0.00 0.00 31.44 26.26 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 -3.38 2.53 0.69 2.62 -7.23 -1.09 -5.01 120.40 109.52 2jr2 s VAL 28 Ca 0.41 0.48 -0.11 0.00 -1.81 0.00 0.00 61.98 60.95 2jr2 s VAL 28 Cb -0.19 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.44 2jr2 s VAL 28 CO 0.78 0.10 1.07 0.42 -0.31 0.00 0.00 175.10 177.15 2jr2 s THR 29 N -0.57 3.93 0.16 5.32 -4.23 -1.26 -4.74 115.64 114.24 2jr2 s THR 29 Ca 0.55 0.63 -0.27 0.00 -1.18 0.00 0.00 61.69 61.42 2jr2 s THR 29 Cb -0.42 -3.54 0.01 0.00 1.34 0.00 0.00 72.50 69.88 2jr2 s THR 29 CO 0.50 -0.82 1.57 -0.65 -0.54 0.00 0.00 174.62 174.68 2jr2 h PRO 30 N -0.62 -0.28 -0.48 3.99 0.11 -1.98 0.45 132.00 133.19 2jr2 h PRO 30 Ca -0.45 0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.71 2jr2 h PRO 30 Cb 1.23 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 2jr2 h PRO 30 CO 0.61 -0.19 0.26 -0.44 -0.21 0.00 0.00 178.00 178.03 2jr2 h ASP 31 N -0.29 0.39 -0.44 -2.05 5.19 -2.00 -1.30 116.42 115.92 2jr2 h ASP 31 Ca 0.15 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2jr2 h ASP 31 Cb 0.58 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 2jr2 h ASP 31 CO -0.62 0.28 0.15 0.25 -3.12 0.00 0.00 179.24 176.18 2jr2 h LEU 32 N 0.51 0.64 -0.33 1.55 5.85 -1.71 -2.53 115.31 119.29 2jr2 h LEU 32 Ca 0.20 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2jr2 h LEU 32 Cb 0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2jr2 h LEU 32 CO -0.12 0.66 0.18 0.00 -0.34 0.00 0.00 178.44 178.83 2jr2 h ALA 33 N 1.00 0.41 -0.55 1.25 0.00 0.27 -1.60 119.26 120.03 2jr2 h ALA 33 Ca 0.14 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jr2 h ALA 33 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2jr2 h ALA 33 CO -0.01 -0.18 0.36 -0.07 0.00 0.00 0.00 179.25 179.35 2jr2 h LEU 34 N 0.38 0.61 -1.54 0.00 3.38 -1.14 0.35 115.31 117.34 2jr2 h LEU 34 Ca 0.13 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2jr2 h LEU 34 Cb 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2jr2 h LEU 34 CO -0.07 0.43 -0.23 -0.03 0.09 0.00 0.00 178.44 178.64 2jr2 h MET 35 N 0.72 0.00 0.05 1.13 4.05 -1.13 -0.32 114.93 119.43 2jr2 h MET 35 Ca 0.21 -0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.51 2jr2 h MET 35 Cb -0.05 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 2jr2 h MET 35 CO -0.06 0.23 -0.57 0.00 0.23 0.00 0.00 176.91 176.74 2jr2 h LEU 37 N -0.76 -0.02 -1.57 0.00 3.38 -0.23 -2.20 115.31 113.90 2jr2 h LEU 37 Ca -0.13 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 2jr2 h LEU 37 Cb 1.30 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2jr2 h LEU 37 CO 0.01 0.18 -0.15 1.23 0.09 0.00 0.00 178.44 179.79 2jr2 h GLY 38 N -0.23 0.09 0.99 0.83 0.00 -1.24 -0.89 103.07 102.62 2jr2 h GLY 38 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 2jr2 h GLY 38 CO 0.00 0.05 -0.27 -0.57 0.00 0.00 0.00 176.54 175.75 2jr2 h ASN 39 N 0.08 0.78 -0.79 0.19 -0.73 -1.53 -1.05 115.58 112.52 2jr2 h ASN 39 Ca 0.02 -0.46 -0.05 0.00 1.87 0.00 0.00 56.30 57.68 2jr2 h ASN 39 Cb 0.32 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.66 2jr2 h ASN 39 CO 0.02 1.07 0.31 0.00 -0.37 0.00 0.00 177.43 178.47 2jr2 h ALA 40 N 0.73 1.05 0.13 1.57 0.00 -0.75 -0.65 119.26 121.34 2jr2 h ALA 40 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jr2 h ALA 40 Cb 0.84 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jr2 h ALA 40 CO 0.07 0.67 -0.11 0.28 0.00 0.00 0.00 179.25 180.15 2jr2 h VAL 41 N 1.16 0.75 -0.57 0.00 2.07 -1.02 -2.77 116.25 115.86 2jr2 h VAL 41 Ca 0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 2jr2 h VAL 41 Cb 0.22 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2jr2 h VAL 41 CO -0.02 0.00 0.36 0.74 0.02 0.00 0.00 177.57 178.67 2jr2 h THR 42 N -0.26 1.15 -0.62 2.57 2.02 -0.87 -1.23 112.91 115.67 2jr2 h THR 42 Ca -0.00 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 2jr2 h THR 42 Cb 0.24 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 2jr2 h THR 42 CO -0.02 0.15 0.13 -1.13 0.37 0.00 0.00 175.52 175.02 2jr2 h ASN 43 N 0.77 0.93 1.07 4.18 -1.24 -0.86 -1.65 115.58 118.79 2jr2 h ASN 43 Ca 0.21 -0.19 -0.14 0.00 0.71 0.00 0.00 56.30 56.88 2jr2 h ASN 43 Cb -0.07 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.72 2jr2 h ASN 43 CO -0.04 0.91 -0.98 -0.29 -1.29 0.00 0.00 177.43 175.73 2jr2 h ILE 44 N 0.93 0.72 -0.04 2.57 2.10 -1.18 -3.14 117.51 119.47 2jr2 h ILE 44 Ca 0.20 -2.15 -0.05 0.00 1.08 0.00 0.00 64.86 63.93 2jr2 h ILE 44 Cb 0.36 2.24 -0.01 0.00 -1.09 0.00 0.00 36.82 38.32 2jr2 h ILE 44 CO 0.00 0.41 -0.23 0.40 -1.08 0.00 0.00 178.15 177.66 2jr2 h ILE 45 N 0.00 1.18 0.00 2.19 2.04 -0.98 -1.01 117.51 120.93 2jr2 h ILE 45 Ca -0.08 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.92 2jr2 h ILE 45 Cb 1.50 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2jr2 h ILE 45 CO 0.06 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.46 2jr2 n ALA 46 N -2.49 2.04 1.01 1.87 0.00 -0.64 -1.50 120.51 120.79 2jr2 n ALA 46 Ca -0.02 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2jr2 n ALA 46 Cb 0.30 -1.35 0.18 0.00 0.00 0.00 0.00 19.45 18.58 2jr2 n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jr2 n GLN 47 N -1.41 0.04 -3.48 0.00 6.02 -0.39 -4.86 117.38 113.30 2jr2 n GLN 47 Ca 0.07 -0.03 -0.38 0.00 -0.01 0.00 0.00 57.00 56.66 2jr2 n GLN 47 Cb 0.22 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 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 -2.98 5.01 0.30 5.09 1.01 -0.56 -5.05 120.40 123.21 2jr2 s VAL 48 Ca 0.11 0.87 -0.28 0.00 0.00 0.00 0.00 61.98 62.68 2jr2 s VAL 48 Cb 0.17 -3.73 -0.14 0.00 0.00 0.00 0.00 36.38 32.69 2jr2 s VAL 48 CO 0.73 0.57 1.11 -2.65 0.00 0.00 0.00 175.10 174.86 2jr2 n PRO 49 N 1.85 1.58 0.17 2.72 -0.02 -1.26 -4.76 135.00 135.27 2jr2 n PRO 49 Ca -0.14 0.55 0.17 0.00 -2.02 0.00 0.00 63.50 62.07 2jr2 n PRO 49 Cb 0.52 -2.00 0.79 0.00 -0.02 0.00 0.00 33.50 32.79 2jr2 n PRO 49 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2jr2 h GLU 50 N 2.30 0.00 -0.97 -0.52 5.08 -1.95 -2.12 114.58 116.40 2jr2 h GLU 50 Ca -0.42 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.19 2jr2 h GLU 50 Cb 1.32 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.45 2jr2 h GLU 50 CO 0.62 0.00 0.53 1.03 -1.00 0.00 0.00 179.01 180.19 2jr2 h SER 51 N 0.00 0.56 0.00 1.42 0.87 -2.01 -2.47 113.55 111.92 2jr2 h SER 51 Ca 0.11 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2jr2 h SER 51 Cb 0.58 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2jr2 h SER 51 CO -0.00 0.05 -0.05 2.29 -0.53 0.00 0.00 176.83 178.60 2jr2 n LYS 52 N -4.95 1.71 -0.32 2.24 2.85 -0.82 -4.71 118.16 114.16 2jr2 n LYS 52 Ca 0.26 -1.87 -0.04 0.00 -1.05 0.00 0.00 58.31 55.61 2jr2 n LYS 52 Cb 0.73 -1.14 0.08 0.00 -0.65 0.00 0.00 35.03 34.05 2jr2 n LYS 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jr2 h ARG 53 N 0.00 1.18 -0.34 -1.58 3.08 -1.15 -0.28 114.38 115.29 2jr2 h ARG 53 Ca 0.00 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 2jr2 h ARG 53 Cb 0.85 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2jr2 h ARG 53 CO 0.00 0.84 -0.37 0.28 -1.07 0.00 0.00 179.97 179.64 2jr2 h VAL 54 N 1.19 1.28 -0.21 2.04 2.07 -1.85 -2.65 116.25 118.12 2jr2 h VAL 54 Ca 0.31 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 2jr2 h VAL 54 Cb -0.03 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2jr2 h VAL 54 CO -0.06 0.51 0.04 0.00 0.02 0.00 0.00 177.57 178.08 2jr2 h ALA 55 N 0.91 0.28 -0.37 1.67 0.00 -1.74 -1.81 119.26 118.19 2jr2 h ALA 55 Ca 0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2jr2 h ALA 55 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jr2 h ALA 55 CO 0.09 -0.05 -0.26 -0.39 0.00 0.00 0.00 179.25 178.64 2jr2 h VAL 56 N 0.15 1.27 -0.01 0.00 -1.51 -1.07 -1.75 116.25 113.33 2jr2 h VAL 56 Ca 0.06 -1.38 -0.19 0.00 -1.23 0.00 0.00 66.70 63.97 2jr2 h VAL 56 Cb 0.31 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 2jr2 h VAL 56 CO 0.00 0.46 -0.82 1.62 -1.23 0.00 0.00 177.57 177.61 2jr2 h VAL 57 N 0.66 1.47 -0.02 7.19 3.04 -1.46 -1.99 116.25 125.14 2jr2 h VAL 57 Ca 0.08 -2.48 -0.20 0.00 -1.01 0.00 0.00 66.70 63.10 2jr2 h VAL 57 Cb 0.77 2.36 -0.01 0.00 -2.01 0.00 0.00 31.29 32.41 2jr2 h VAL 57 CO 0.06 0.73 -0.84 -0.78 -1.01 0.00 0.00 177.57 175.73 2jr2 h ASP 58 N 0.12 0.35 0.23 3.17 1.82 -1.21 -0.68 116.42 120.22 2jr2 h ASP 58 Ca -0.03 -0.26 -0.12 0.00 -0.39 0.00 0.00 57.03 56.23 2jr2 h ASP 58 Cb 1.42 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.31 2jr2 h ASP 58 CO 0.12 1.04 -0.44 0.78 -1.61 0.00 0.00 179.24 179.13 2jr2 h ASN 59 N 0.17 0.28 0.02 2.28 2.35 -1.31 0.15 115.58 119.53 2jr2 h ASN 59 Ca -0.04 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2jr2 h ASN 59 Cb 1.44 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.73 2jr2 h ASN 59 CO 0.13 0.69 -0.01 0.15 -1.65 0.00 0.00 177.43 176.75 2jr2 h PHE 60 N 0.22 -0.03 -0.12 1.19 3.57 -1.07 -1.83 116.94 118.87 2jr2 h PHE 60 Ca 0.02 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2jr2 h PHE 60 Cb 0.87 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2jr2 h PHE 60 CO 0.02 0.24 -0.21 1.79 -2.23 0.00 0.00 178.31 177.91 2jr2 h THR 61 N -0.30 1.21 0.54 4.41 1.35 -1.05 -2.09 112.91 116.98 2jr2 h THR 61 Ca -0.00 -0.97 -0.02 0.00 -0.55 0.00 0.00 66.41 64.87 2jr2 h THR 61 Cb 0.29 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 2jr2 h THR 61 CO 0.01 0.29 -0.37 0.50 -0.25 0.00 0.00 175.52 175.70 2jr2 h LYS 62 N 0.18 -0.84 -0.89 4.72 3.64 -0.82 -2.54 116.57 120.02 2jr2 h LYS 62 Ca 0.03 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2jr2 h LYS 62 Cb 0.49 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 2jr2 h LYS 62 CO 0.03 -0.56 0.58 0.00 -2.27 0.00 0.00 179.45 177.24 2jr2 h ALA 63 N -0.52 1.16 0.37 5.00 0.00 -1.05 -2.37 119.26 121.86 2jr2 h ALA 63 Ca -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jr2 h ALA 63 Cb 0.72 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jr2 h ALA 63 CO 0.04 0.47 -0.39 -0.07 0.00 0.00 0.00 179.25 179.31 2jr2 h LEU 64 N 1.16 -1.05 -1.09 0.00 3.38 -1.33 -0.86 115.31 115.51 2jr2 h LEU 64 Ca 0.34 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.48 2jr2 h LEU 64 Cb -0.05 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 2jr2 h LEU 64 CO -0.10 -0.53 0.61 0.11 0.09 0.00 0.00 178.44 178.62 2jr2 h LYS 65 N -0.79 1.03 -0.16 1.13 1.57 -1.23 -0.66 116.57 117.47 2jr2 h LYS 65 Ca -0.03 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 2jr2 h LYS 65 Cb 0.71 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2jr2 h LYS 65 CO -0.07 0.68 -0.49 1.96 -0.57 0.00 0.00 179.45 180.96 2jr2 h GLN 66 N 1.06 0.42 0.00 3.15 4.20 -1.11 -1.22 115.11 121.61 2jr2 h GLN 66 Ca 0.42 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2jr2 h GLN 66 Cb 0.24 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2jr2 h GLN 66 CO -0.17 0.82 -0.50 0.45 -0.67 0.00 0.00 178.83 178.76 2jr2 n SER 67 N -3.97 0.50 -0.07 1.46 2.88 -0.35 -2.54 113.62 111.52 2jr2 n SER 67 Ca -0.02 -0.13 -0.22 0.00 -1.33 0.00 0.00 58.87 57.16 2jr2 n SER 67 Cb 0.56 0.19 -0.12 0.00 -0.75 0.00 0.00 64.21 64.09 2jr2 n SER 67 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2jr2 n VAL 68 N -1.61 1.63 -0.19 2.46 0.31 -0.32 -3.61 118.33 117.00 2jr2 n VAL 68 Ca 0.05 -0.41 -0.09 0.00 -0.01 0.00 0.00 64.34 63.88 2jr2 n VAL 68 Cb 0.35 -1.81 0.04 0.00 -0.91 0.00 0.00 33.84 31.51 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 -0.42 1.01 -7.52 7.52 3.38 -1.35 -3.39 115.31 114.55 2jr2 h LEU 69 Ca -0.46 -0.31 -0.57 0.00 0.09 0.00 0.00 57.88 56.63 2jr2 h LEU 69 Cb 1.73 -0.27 -0.39 0.00 0.09 0.00 0.00 40.66 41.82 2jr2 h LEU 69 CO -0.10 1.10 -0.78 -0.70 0.09 0.00 0.00 178.44 178.05 2jr2 s GLU 70 N -4.92 1.28 0.00 1.13 2.56 -1.05 -4.84 118.70 112.85 2jr2 s GLU 70 Ca -0.11 -0.71 0.12 0.00 0.00 0.00 0.00 54.97 54.27 2jr2 s GLU 70 Cb 0.13 -2.32 -0.05 0.00 2.00 0.00 0.00 34.13 33.89 2jr2 s GLU 70 CO 0.86 -0.58 0.63 1.58 -0.56 0.00 0.00 175.26 177.19 2jr2 n HIS 71 N 4.83 0.00 0.00 5.30 -0.00 -1.24 -4.04 115.22 120.07 2jr2 n HIS 71 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 2jr2 n HIS 71 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 2jr2 n HIS 71 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jr2 n HIS 72 N -0.63 -0.80 -3.08 1.57 -0.00 -1.26 -5.07 115.22 105.95 2jr2 n HIS 72 Ca 0.04 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.79 2jr2 n HIS 72 Cb 0.23 0.16 -0.00 0.00 -0.00 0.00 0.00 29.99 30.38 2jr2 n HIS 72 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jr2 s HIS 73 N -1.00 -1.09 0.21 1.57 2.46 -1.26 -5.14 115.29 111.03 2jr2 s HIS 73 Ca 0.00 0.45 -0.32 0.00 0.47 0.00 0.00 55.06 55.66 2jr2 s HIS 73 Cb 0.00 0.19 -0.14 0.00 -0.13 0.00 0.00 32.58 32.51 2jr2 s HIS 73 CO 0.00 -0.68 1.47 -2.39 -2.47 0.00 0.00 174.74 170.67 2jr2 n HIS 74 N 4.77 2.20 -2.64 3.88 1.44 -1.26 -4.94 115.22 118.66 2jr2 n HIS 74 Ca 0.08 0.38 -0.36 0.00 -2.01 0.00 0.00 57.72 55.80 2jr2 n HIS 74 Cb 0.58 -2.49 -0.05 0.00 0.12 0.00 0.00 29.99 28.15 2jr2 n HIS 74 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jr2 s HIS 75 N 0.31 3.38 -2.00 -1.40 2.46 -1.26 -5.16 115.29 111.63 2jr2 s HIS 75 Ca 0.72 1.68 0.25 0.00 0.47 0.00 0.00 55.06 58.18 2jr2 s HIS 75 Cb -0.67 -3.04 1.50 0.00 -0.13 0.00 0.00 32.58 30.25 2jr2 s HIS 75 CO 0.45 -0.35 1.86 0.72 -2.47 0.00 0.00 174.74 174.95