#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr2 h PRO 2 N 0.00 -0.97 0.00 0.03 0.11 -2.11 -3.45 132.00 125.60 2jr2 h PRO 2 Ca 0.00 0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2jr2 h PRO 2 Cb 0.00 0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2jr2 h PRO 2 CO 0.00 -0.65 0.00 -0.89 -0.21 0.00 0.00 178.00 176.25 2jr2 n ILE 3 N -5.11 0.00 -3.55 4.15 2.08 -1.26 -4.73 119.36 110.94 2jr2 n ILE 3 Ca -0.12 0.00 -0.38 0.00 0.56 0.00 0.00 62.75 62.80 2jr2 n ILE 3 Cb 0.43 0.00 -0.11 0.00 -0.75 0.00 0.00 39.64 39.21 2jr2 n ILE 3 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 2jr2 s VAL 4 N 0.00 5.28 -0.03 1.39 -7.23 -1.26 -5.05 120.40 113.50 2jr2 s VAL 4 Ca 0.00 0.25 -0.30 0.00 -1.81 0.00 0.00 61.98 60.12 2jr2 s VAL 4 Cb 0.00 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 2jr2 s VAL 4 CO 0.00 0.23 1.27 -0.94 -0.31 0.00 0.00 175.10 175.35 2jr2 s SER 5 N 1.72 6.98 0.31 4.85 1.04 -1.26 -4.92 113.70 122.42 2jr2 s SER 5 Ca 0.09 1.93 0.10 0.00 0.48 0.00 0.00 55.95 58.55 2jr2 s SER 5 Cb -0.16 -2.56 0.49 0.00 0.10 0.00 0.00 66.02 63.89 2jr2 s SER 5 CO 0.11 -0.63 1.69 0.50 0.98 0.00 0.00 173.24 175.90 2jr2 h LYS 6 N 7.55 0.04 0.00 4.02 3.64 -1.96 -3.49 116.57 126.37 2jr2 h LYS 6 Ca -0.36 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2jr2 h LYS 6 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2jr2 h LYS 6 CO 0.88 0.54 0.00 0.66 -2.27 0.00 0.00 179.45 179.26 2jr2 n TYR 7 N -3.94 -1.12 -3.75 1.91 4.01 -1.26 -4.93 117.16 108.09 2jr2 n TYR 7 Ca -0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 2jr2 n TYR 7 Cb 0.53 0.21 -0.07 0.00 -0.31 0.00 0.00 39.34 39.69 2jr2 n TYR 7 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2jr2 s SER 8 N -4.00 -0.12 0.39 7.72 1.04 -1.26 -5.01 113.70 112.45 2jr2 s SER 8 Ca 0.00 -0.24 0.08 0.00 0.48 0.00 0.00 55.95 56.27 2jr2 s SER 8 Cb 0.00 0.37 0.84 0.00 0.10 0.00 0.00 66.02 67.33 2jr2 s SER 8 CO 0.00 -0.66 1.98 -0.55 0.98 0.00 0.00 173.24 174.99 2jr2 h ASN 9 N 3.06 0.55 0.30 7.02 7.08 -2.00 -1.65 115.58 129.94 2jr2 h ASN 9 Ca -0.32 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.89 2jr2 h ASN 9 Cb 1.21 -0.12 0.00 0.00 -2.08 0.00 0.00 38.32 37.33 2jr2 h ASN 9 CO 0.47 0.36 -0.14 -0.33 -2.08 0.00 0.00 177.43 175.70 2jr2 h GLU 10 N 0.63 -0.39 -0.63 4.14 5.08 -1.99 -2.21 114.58 119.21 2jr2 h GLU 10 Ca 0.28 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.76 2jr2 h GLU 10 Cb 0.30 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 2jr2 h GLU 10 CO -0.09 -0.25 0.27 -0.09 -1.00 0.00 0.00 179.01 177.85 2jr2 h ARG 11 N -0.41 0.46 0.68 2.33 9.65 -1.73 0.18 114.38 125.54 2jr2 h ARG 11 Ca -0.04 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 2jr2 h ARG 11 Cb 0.32 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 28.80 2jr2 h ARG 11 CO 0.07 0.31 -0.33 0.28 2.80 0.00 0.00 179.97 183.10 2jr2 h VAL 12 N 0.48 0.26 -0.20 0.20 2.07 -1.29 -2.22 116.25 115.55 2jr2 h VAL 12 Ca 0.31 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 2jr2 h VAL 12 Cb 0.36 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2jr2 h VAL 12 CO -0.28 0.02 -0.08 -0.33 0.02 0.00 0.00 177.57 176.91 2jr2 h GLU 13 N -1.03 0.31 -0.04 1.57 5.08 -1.15 -2.16 114.58 117.14 2jr2 h GLU 13 Ca -0.09 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2jr2 h GLU 13 Cb 0.73 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jr2 h GLU 13 CO 0.15 0.40 0.02 -0.22 -1.00 0.00 0.00 179.01 178.36 2jr2 h LYS 14 N 0.29 0.06 -0.66 2.33 3.11 -0.57 0.19 116.57 121.32 2jr2 h LYS 14 Ca 0.06 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 2jr2 h LYS 14 Cb 0.34 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.52 2jr2 h LYS 14 CO 0.02 0.19 0.36 0.82 -2.81 0.00 0.00 179.45 178.02 2jr2 h ILE 15 N -0.08 1.21 -0.16 2.00 2.04 -1.08 0.35 117.51 121.80 2jr2 h ILE 15 Ca 0.01 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2jr2 h ILE 15 Cb 0.15 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2jr2 h ILE 15 CO -0.00 0.23 0.10 0.40 0.00 0.00 0.00 178.15 178.88 2jr2 h ILE 16 N 0.91 1.06 -0.95 -0.67 2.04 -1.23 -1.55 117.51 117.11 2jr2 h ILE 16 Ca 0.23 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2jr2 h ILE 16 Cb 0.05 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2jr2 h ILE 16 CO -0.04 0.05 0.60 -0.61 0.00 0.00 0.00 178.15 178.15 2jr2 h GLN 17 N 0.20 1.27 -0.53 2.37 5.75 -0.17 0.17 115.11 124.17 2jr2 h GLN 17 Ca 0.06 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 2jr2 h GLN 17 Cb -0.00 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 28.25 2jr2 h GLN 17 CO -0.01 0.86 0.15 0.22 -2.65 0.00 0.00 178.83 177.41 2jr2 h ASP 18 N 1.29 0.78 -0.43 -0.69 1.82 -0.70 0.20 116.42 118.69 2jr2 h ASP 18 Ca 0.34 -0.22 -0.02 0.00 -0.39 0.00 0.00 57.03 56.75 2jr2 h ASP 18 Cb -0.10 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 39.69 2jr2 h ASP 18 CO -0.07 0.79 0.19 -0.07 -1.61 0.00 0.00 179.24 178.47 2jr2 h LEU 19 N 0.73 0.57 -1.11 2.28 3.38 -0.75 -2.50 115.31 117.91 2jr2 h LEU 19 Ca 0.17 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jr2 h LEU 19 Cb 0.30 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2jr2 h LEU 19 CO -0.00 0.56 0.57 -0.07 0.09 0.00 0.00 178.44 179.59 2jr2 h LEU 20 N 0.55 1.02 -0.47 1.67 3.38 -0.28 -2.27 115.31 118.93 2jr2 h LEU 20 Ca 0.15 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2jr2 h LEU 20 Cb 0.14 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2jr2 h LEU 20 CO -0.02 0.75 0.22 -0.78 0.09 0.00 0.00 178.44 178.70 2jr2 h ASP 21 N 1.20 0.29 -0.61 -0.43 3.58 -0.24 0.32 116.42 120.53 2jr2 h ASP 21 Ca 0.32 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.85 2jr2 h ASP 21 Cb -0.12 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 40.87 2jr2 h ASP 21 CO -0.07 0.21 0.34 0.58 -2.88 0.00 0.00 179.24 177.42 2jr2 h VAL 22 N 0.43 1.00 -0.04 2.25 2.07 -1.00 0.33 116.25 121.29 2jr2 h VAL 22 Ca 0.21 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2jr2 h VAL 22 Cb 0.14 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2jr2 h VAL 22 CO -0.16 0.12 0.00 -0.07 0.02 0.00 0.00 177.57 177.48 2jr2 h LEU 23 N 0.66 0.06 -0.89 2.57 3.38 -0.82 -2.79 115.31 117.48 2jr2 h LEU 23 Ca 0.26 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2jr2 h LEU 23 Cb 0.11 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2jr2 h LEU 23 CO -0.15 0.31 -0.01 0.58 0.09 0.00 0.00 178.44 179.27 2jr2 h VAL 24 N -0.20 1.25 0.00 1.22 2.07 -0.18 -1.76 116.25 118.65 2jr2 h VAL 24 Ca 0.01 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2jr2 h VAL 24 Cb 0.28 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2jr2 h VAL 24 CO 0.00 0.36 0.00 1.17 0.02 0.00 0.00 177.57 179.12 2jr2 n LYS 25 N -4.21 0.04 0.00 1.57 4.81 0.11 -0.86 118.16 119.63 2jr2 n LYS 25 Ca 0.02 0.35 0.10 0.00 -0.87 0.00 0.00 58.31 57.91 2jr2 n LYS 25 Cb 0.31 -1.59 -0.05 0.00 0.02 0.00 0.00 35.03 33.71 2jr2 n LYS 25 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jr2 n GLU 26 N -1.68 0.93 -3.79 1.64 -0.58 -0.69 -4.97 120.64 111.49 2jr2 n GLU 26 Ca 0.02 -0.51 -0.28 0.00 -0.42 0.00 0.00 57.16 55.97 2jr2 n GLU 26 Cb 0.14 -1.43 0.05 0.00 -0.57 0.00 0.00 31.44 29.63 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 -0.70 -6.43 -1.99 3.49 4.71 -0.04 -4.93 120.64 114.74 2jr2 n GLU 27 Ca 0.06 0.68 -0.38 0.00 -0.01 0.00 0.00 57.16 57.52 2jr2 n GLU 27 Cb 0.38 -5.63 0.02 0.00 -1.01 0.00 0.00 31.44 25.19 2jr2 n GLU 27 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2jr2 s VAL 28 N -3.31 2.52 0.55 2.62 -7.23 -1.06 -5.02 120.40 109.47 2jr2 s VAL 28 Ca 0.62 0.40 -0.09 0.00 -1.81 0.00 0.00 61.98 61.11 2jr2 s VAL 28 Cb -0.30 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 2jr2 s VAL 28 CO 0.79 0.01 0.92 0.42 -0.31 0.00 0.00 175.10 176.93 2jr2 s THR 29 N -1.38 4.78 0.22 5.32 -4.23 -1.26 -4.87 115.64 114.23 2jr2 s THR 29 Ca 0.66 0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 61.71 2jr2 s THR 29 Cb -0.36 -3.86 0.17 0.00 1.34 0.00 0.00 72.50 69.80 2jr2 s THR 29 CO 0.44 -0.98 1.75 1.55 -0.54 0.00 0.00 174.62 176.83 2jr2 h PRO 30 N 0.02 0.47 -0.45 3.99 0.13 -1.99 0.19 132.00 134.35 2jr2 h PRO 30 Ca -0.45 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2jr2 h PRO 30 Cb 1.20 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2jr2 h PRO 30 CO 0.62 0.31 0.03 -0.44 -0.23 0.00 0.00 178.00 178.29 2jr2 h ASP 31 N 0.48 0.75 -0.42 1.44 5.19 -2.00 -2.13 116.42 119.73 2jr2 h ASP 31 Ca 0.35 -0.29 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 2jr2 h ASP 31 Cb 0.44 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 2jr2 h ASP 31 CO -0.32 0.85 0.20 0.25 -3.12 0.00 0.00 179.24 177.10 2jr2 h LEU 32 N 0.62 0.55 -0.74 1.55 5.85 -1.78 -2.52 115.31 118.84 2jr2 h LEU 32 Ca 0.13 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2jr2 h LEU 32 Cb 0.45 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 2jr2 h LEU 32 CO 0.02 0.53 0.47 0.00 -0.34 0.00 0.00 178.44 179.12 2jr2 h ALA 33 N 1.04 0.97 -0.88 1.25 0.00 -0.48 -1.36 119.26 119.81 2jr2 h ALA 33 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2jr2 h ALA 33 Cb 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2jr2 h ALA 33 CO -0.02 0.27 0.52 -0.07 0.00 0.00 0.00 179.25 179.95 2jr2 h LEU 34 N 0.92 1.06 -0.64 0.00 3.38 -1.20 0.36 115.31 119.19 2jr2 h LEU 34 Ca 0.30 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2jr2 h LEU 34 Cb 0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2jr2 h LEU 34 CO -0.11 0.82 0.18 -0.03 0.09 0.00 0.00 178.44 179.39 2jr2 h MET 35 N 1.21 1.01 -0.00 1.13 4.05 -0.90 0.21 114.93 121.64 2jr2 h MET 35 Ca 0.31 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2jr2 h MET 35 Cb -0.04 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.62 2jr2 h MET 35 CO -0.06 0.90 -0.00 0.00 0.23 0.00 0.00 176.91 177.98 2jr2 h LEU 37 N -0.49 1.00 -0.92 0.00 3.38 -0.21 -0.95 115.31 117.11 2jr2 h LEU 37 Ca 0.00 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2jr2 h LEU 37 Cb 0.50 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2jr2 h LEU 37 CO 0.00 0.78 0.58 1.23 0.09 0.00 0.00 178.44 181.13 2jr2 h GLY 38 N 1.13 1.39 1.59 0.83 0.00 -0.63 0.16 103.07 107.54 2jr2 h GLY 38 Ca 0.29 -0.42 -0.22 0.00 0.00 0.00 0.00 47.33 46.98 2jr2 h GLY 38 CO -0.05 0.30 -0.94 3.43 0.00 0.00 0.00 176.54 179.28 2jr2 h ASN 39 N 1.06 0.48 -0.34 0.19 2.35 -1.42 -2.56 115.58 115.34 2jr2 h ASN 39 Ca 0.40 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2jr2 h ASN 39 Cb 0.17 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2jr2 h ASN 39 CO -0.17 1.19 0.16 0.00 -1.65 0.00 0.00 177.43 176.96 2jr2 h ALA 40 N 0.78 0.44 0.26 -0.83 0.00 -0.30 0.14 119.26 119.75 2jr2 h ALA 40 Ca -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jr2 h ALA 40 Cb 1.57 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2jr2 h ALA 40 CO 0.16 0.00 -0.13 0.28 0.00 0.00 0.00 179.25 179.56 2jr2 h VAL 41 N 0.41 0.75 -0.56 0.00 2.07 -0.77 -2.84 116.25 115.32 2jr2 h VAL 41 Ca 0.12 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2jr2 h VAL 41 Cb 0.12 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2jr2 h VAL 41 CO -0.01 0.01 0.37 0.74 0.02 0.00 0.00 177.57 178.70 2jr2 h THR 42 N -0.38 1.13 -0.80 2.57 2.02 -1.31 -1.62 112.91 114.51 2jr2 h THR 42 Ca -0.04 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2jr2 h THR 42 Cb 0.29 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 2jr2 h THR 42 CO 0.06 0.13 0.51 -1.13 0.37 0.00 0.00 175.52 175.46 2jr2 h ASN 43 N 0.74 0.93 0.84 4.18 -1.24 -0.47 -1.18 115.58 119.38 2jr2 h ASN 43 Ca 0.21 -0.04 -0.14 0.00 0.71 0.00 0.00 56.30 57.04 2jr2 h ASN 43 Cb -0.05 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.74 2jr2 h ASN 43 CO -0.05 0.70 -1.24 -0.29 -1.29 0.00 0.00 177.43 175.25 2jr2 h ILE 44 N 1.09 0.49 -0.18 2.57 2.10 -1.31 -3.29 117.51 118.98 2jr2 h ILE 44 Ca 0.29 -1.91 -0.06 0.00 1.08 0.00 0.00 64.86 64.26 2jr2 h ILE 44 Cb -0.09 2.03 -0.01 0.00 -1.09 0.00 0.00 36.82 37.65 2jr2 h ILE 44 CO -0.06 0.28 -0.16 0.40 -1.08 0.00 0.00 178.15 177.53 2jr2 h ILE 45 N 0.00 1.20 0.00 2.19 2.04 -0.80 -1.07 117.51 121.08 2jr2 h ILE 45 Ca -0.12 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2jr2 h ILE 45 Cb 1.49 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2jr2 h ILE 45 CO 0.04 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.48 2jr2 h ALA 46 N 1.57 1.00 0.00 1.87 0.00 -1.30 -1.74 119.26 120.66 2jr2 h ALA 46 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jr2 h ALA 46 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jr2 h ALA 46 CO 0.03 0.00 -0.53 1.96 0.00 0.00 0.00 179.25 180.71 2jr2 h GLN 47 N 0.00 0.00 -6.31 0.00 4.20 -1.30 -3.45 115.11 108.25 2jr2 h GLN 47 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 2jr2 h GLN 47 Cb 0.43 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 2jr2 h GLN 47 CO 0.00 0.00 0.08 0.08 -0.67 0.00 0.00 178.83 178.32 2jr2 s VAL 48 N -3.21 4.66 0.56 -0.54 1.01 -0.65 -5.04 120.40 117.18 2jr2 s VAL 48 Ca 0.05 1.47 -0.21 0.00 0.00 0.00 0.00 61.98 63.30 2jr2 s VAL 48 Cb 0.11 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2jr2 s VAL 48 CO 0.71 0.47 1.35 -2.16 0.00 0.00 0.00 175.10 175.47 2jr2 s PRO 49 N -0.67 3.07 0.48 2.72 0.04 -1.26 -4.62 135.00 134.76 2jr2 s PRO 49 Ca 0.34 2.20 0.21 0.00 0.04 0.00 0.00 61.00 63.79 2jr2 s PRO 49 Cb -0.21 -2.20 1.24 0.00 0.04 0.00 0.00 34.50 33.37 2jr2 s PRO 49 CO 0.22 -1.23 1.95 0.93 0.04 0.00 0.00 177.00 178.91 2jr2 h GLU 50 N 1.34 0.19 -0.99 4.56 4.39 -1.96 0.12 114.58 122.23 2jr2 h GLU 50 Ca -0.51 -0.01 0.26 0.00 0.34 0.00 0.00 59.36 59.44 2jr2 h GLU 50 Cb 1.30 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.84 2jr2 h GLU 50 CO 0.57 0.13 0.67 1.03 -1.16 0.00 0.00 179.01 180.25 2jr2 h SER 51 N 0.20 0.27 0.00 1.42 0.87 -2.02 -2.10 113.55 112.18 2jr2 h SER 51 Ca 0.32 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2jr2 h SER 51 Cb 0.99 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2jr2 h SER 51 CO -0.06 0.08 0.00 2.29 -0.53 0.00 0.00 176.83 178.61 2jr2 n LYS 52 N -4.45 -0.39 -0.12 2.24 2.85 -0.67 -4.76 118.16 112.87 2jr2 n LYS 52 Ca 0.22 -0.41 -0.09 0.00 -1.05 0.00 0.00 58.31 56.99 2jr2 n LYS 52 Cb 0.90 -0.82 -0.01 0.00 -0.65 0.00 0.00 35.03 34.45 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 0.51 -0.01 -1.58 2.43 -0.06 0.28 114.38 115.96 2jr2 h ARG 53 Ca 0.00 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 2jr2 h ARG 53 Cb 0.23 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2jr2 h ARG 53 CO 0.00 0.42 -0.65 0.28 -1.51 0.00 0.00 179.97 178.52 2jr2 h VAL 54 N 0.46 1.46 -0.14 0.20 2.07 -1.85 -3.05 116.25 115.40 2jr2 h VAL 54 Ca 0.13 -2.20 -0.07 0.00 0.82 0.00 0.00 66.70 65.38 2jr2 h VAL 54 Cb 0.06 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2jr2 h VAL 54 CO -0.02 0.63 -0.17 0.00 0.02 0.00 0.00 177.57 178.03 2jr2 h ALA 55 N 1.33 0.22 -0.52 1.67 0.00 -1.70 -2.50 119.26 117.76 2jr2 h ALA 55 Ca -0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 2jr2 h ALA 55 Cb 1.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2jr2 h ALA 55 CO 0.09 0.12 0.03 -0.39 0.00 0.00 0.00 179.25 179.10 2jr2 h VAL 56 N -0.01 1.24 -0.05 0.00 -1.51 -0.48 -0.61 116.25 114.83 2jr2 h VAL 56 Ca 0.02 -0.99 -0.18 0.00 -1.23 0.00 0.00 66.70 64.32 2jr2 h VAL 56 Cb 0.72 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 2jr2 h VAL 56 CO 0.04 0.35 -0.74 1.62 -1.23 0.00 0.00 177.57 177.61 2jr2 h VAL 57 N 0.80 1.41 -0.26 7.19 3.04 -1.57 0.01 116.25 126.86 2jr2 h VAL 57 Ca 0.16 -2.23 -0.10 0.00 -1.01 0.00 0.00 66.70 63.52 2jr2 h VAL 57 Cb 0.43 2.18 -0.00 0.00 -2.01 0.00 0.00 31.29 31.89 2jr2 h VAL 57 CO 0.02 0.66 -0.22 0.44 -1.01 0.00 0.00 177.57 177.46 2jr2 h ASP 58 N 0.21 0.65 -0.08 3.17 3.32 -1.09 -0.28 116.42 122.31 2jr2 h ASP 58 Ca -0.03 -0.45 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 2jr2 h ASP 58 Cb 1.31 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 2jr2 h ASP 58 CO 0.12 0.97 -0.32 0.78 -1.72 0.00 0.00 179.24 179.06 2jr2 h ASN 59 N 0.34 0.58 0.10 6.45 2.35 -1.11 -0.60 115.58 123.69 2jr2 h ASN 59 Ca 0.05 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2jr2 h ASN 59 Cb 0.77 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.97 2jr2 h ASN 59 CO 0.06 0.87 -0.05 0.15 -1.65 0.00 0.00 177.43 176.81 2jr2 h PHE 60 N 0.48 -0.12 -0.51 1.19 3.57 -0.87 0.63 116.94 121.31 2jr2 h PHE 60 Ca 0.06 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 2jr2 h PHE 60 Cb 0.80 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2jr2 h PHE 60 CO 0.03 0.01 0.01 1.79 -2.23 0.00 0.00 178.31 177.92 2jr2 h THR 61 N -0.23 1.25 -0.05 4.41 1.35 -0.97 -0.78 112.91 117.90 2jr2 h THR 61 Ca -0.01 -1.02 -0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2jr2 h THR 61 Cb 0.19 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.45 2jr2 h THR 61 CO 0.02 0.36 0.02 0.50 -0.25 0.00 0.00 175.52 176.18 2jr2 h LYS 62 N 0.79 0.07 -0.94 4.72 1.63 -0.98 -2.52 116.57 119.34 2jr2 h LYS 62 Ca 0.15 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.96 2jr2 h LYS 62 Cb 0.46 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.03 2jr2 h LYS 62 CO 0.02 0.16 0.62 0.00 -3.45 0.00 0.00 179.45 176.81 2jr2 h ALA 63 N 0.90 1.34 0.41 5.00 0.00 -0.55 -2.34 119.26 124.02 2jr2 h ALA 63 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jr2 h ALA 63 Cb 0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2jr2 h ALA 63 CO -0.00 0.61 -0.27 -0.07 0.00 0.00 0.00 179.25 179.53 2jr2 h LEU 64 N 1.27 -0.67 -0.96 0.00 3.38 -1.02 -0.37 115.31 116.94 2jr2 h LEU 64 Ca 0.35 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.46 2jr2 h LEU 64 Cb -0.13 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 2jr2 h LEU 64 CO -0.08 -0.42 0.60 0.11 0.09 0.00 0.00 178.44 178.74 2jr2 h LYS 65 N -0.65 0.97 0.05 1.13 1.57 -1.16 0.11 116.57 118.59 2jr2 h LYS 65 Ca -0.04 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2jr2 h LYS 65 Cb 0.54 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2jr2 h LYS 65 CO 0.03 0.64 -0.02 0.37 -0.57 0.00 0.00 179.45 179.90 2jr2 h GLN 66 N 1.00 -0.07 0.00 3.15 -0.00 -1.27 -2.58 115.11 115.35 2jr2 h GLN 66 Ca 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.99 2jr2 h GLN 66 Cb 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.83 2jr2 h GLN 66 CO -0.23 0.35 -0.56 0.66 0.00 0.00 0.00 178.83 179.05 2jr2 h SER 67 N -0.50 0.00 -0.01 -0.69 4.64 -0.60 -2.34 113.55 114.05 2jr2 h SER 67 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2jr2 h SER 67 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2jr2 h SER 67 CO 0.01 0.56 -0.06 0.58 -0.87 0.00 0.00 176.83 177.04 2jr2 h VAL 68 N 0.00 1.55 -0.39 0.95 2.07 -0.86 -2.42 116.25 117.14 2jr2 h VAL 68 Ca -0.01 -1.71 -0.12 0.00 0.82 0.00 0.00 66.70 65.69 2jr2 h VAL 68 Cb 1.06 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 2jr2 h VAL 68 CO 0.07 0.45 -0.23 -0.07 0.02 0.00 0.00 177.57 177.81 2jr2 h LEU 69 N -0.63 0.81 -1.75 2.57 4.07 -1.45 -2.68 115.31 116.25 2jr2 h LEU 69 Ca -0.01 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.66 2jr2 h LEU 69 Cb 0.77 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.29 2jr2 h LEU 69 CO 0.01 1.01 0.00 -0.62 -1.08 0.00 0.00 178.44 177.76 2jr2 n GLU 70 N -4.11 2.11 0.20 1.13 1.02 -0.89 -4.16 120.64 115.95 2jr2 n GLU 70 Ca 0.00 -1.72 0.15 0.00 -0.02 0.00 0.00 57.16 55.57 2jr2 n GLU 70 Cb 0.44 -1.39 0.57 0.00 -0.02 0.00 0.00 31.44 31.04 2jr2 n GLU 70 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2jr2 h HIS 71 N 2.90 0.00 -0.10 -0.32 2.76 -1.07 -2.71 115.15 116.62 2jr2 h HIS 71 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2jr2 h HIS 71 Cb 0.66 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.62 2jr2 h HIS 71 CO 0.29 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 178.50 2jr2 n HIS 72 N -2.69 0.10 -3.40 5.26 -0.00 -1.26 -4.78 115.22 108.46 2jr2 n HIS 72 Ca 0.02 -0.07 -0.17 0.00 -0.00 0.00 0.00 57.72 57.50 2jr2 n HIS 72 Cb 0.29 -0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.18 2jr2 n HIS 72 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jr2 s HIS 73 N -1.49 -0.45 -0.15 1.57 4.02 -1.02 -4.99 115.29 112.78 2jr2 s HIS 73 Ca 0.24 -0.20 0.07 0.00 1.02 0.00 0.00 55.06 56.19 2jr2 s HIS 73 Cb 0.16 -0.47 -0.14 0.00 -1.02 0.00 0.00 32.58 31.11 2jr2 s HIS 73 CO 0.24 -0.92 -0.04 1.58 1.02 0.00 0.00 174.74 176.61 2jr2 n HIS 74 N 5.28 0.00 -3.87 1.40 -0.00 -1.26 -4.85 115.22 111.92 2jr2 n HIS 74 Ca -0.02 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.82 2jr2 n HIS 74 Cb 0.46 -0.66 -0.13 0.00 -0.12 0.00 0.00 29.99 29.54 2jr2 n HIS 74 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jr2 s HIS 75 N -2.33 3.65 0.00 1.57 2.46 -1.26 -5.20 115.29 114.18 2jr2 s HIS 75 Ca -0.14 -2.67 0.00 0.00 0.47 0.00 0.00 55.06 52.72 2jr2 s HIS 75 Cb 0.05 -3.10 0.00 0.00 -0.13 0.00 0.00 32.58 29.39 2jr2 s HIS 75 CO 0.48 -0.96 0.00 1.58 -2.47 0.00 0.00 174.74 173.38