#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 3.01 0.49 2.12 0.04 -1.26 -4.97 135.00 134.44 2jr2 s PRO 2 Ca 0.00 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 2jr2 s PRO 2 Cb 0.00 -4.33 -0.08 0.00 0.04 0.00 0.00 34.50 30.13 2jr2 s PRO 2 CO 0.00 -2.24 0.97 0.96 0.04 0.00 0.00 177.00 176.73 2jr2 s ILE 3 N 8.34 4.52 0.13 0.56 -4.36 -1.26 -5.05 121.20 124.08 2jr2 s ILE 3 Ca 0.87 1.25 -0.18 0.00 -0.26 0.00 0.00 60.65 62.33 2jr2 s ILE 3 Cb -0.24 -3.70 -0.07 0.00 1.25 0.00 0.00 42.46 39.70 2jr2 s ILE 3 CO 0.31 -0.61 0.61 -0.69 0.24 0.00 0.00 174.94 174.80 2jr2 s VAL 4 N -2.53 4.71 -0.02 8.37 1.01 -1.26 -5.02 120.40 125.67 2jr2 s VAL 4 Ca 0.59 1.14 -0.23 0.00 0.00 0.00 0.00 61.98 63.49 2jr2 s VAL 4 Cb -0.10 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 2jr2 s VAL 4 CO 0.28 0.38 1.03 0.77 0.00 0.00 0.00 175.10 177.56 2jr2 h SER 5 N 3.99 -0.34 0.00 3.32 4.64 -2.05 -3.36 113.55 119.75 2jr2 h SER 5 Ca -0.49 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 2jr2 h SER 5 Cb 1.20 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2jr2 h SER 5 CO 0.65 0.11 -1.46 2.29 -0.87 0.00 0.00 176.83 177.54 2jr2 n LYS 6 N -5.08 0.84 0.00 4.77 2.85 -1.26 -5.10 118.16 115.19 2jr2 n LYS 6 Ca -0.09 -0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 2jr2 n LYS 6 Cb 0.27 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 2jr2 n LYS 6 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2jr2 n TYR 7 N -1.87 -0.93 -3.89 5.58 4.01 -1.26 -4.63 117.16 114.17 2jr2 n TYR 7 Ca -0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.37 2jr2 n TYR 7 Cb 0.38 0.18 -0.12 0.00 -0.31 0.00 0.00 39.34 39.48 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 5.27 0.18 7.72 1.04 -1.26 -5.00 113.70 117.65 2jr2 s SER 8 Ca 0.00 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.18 2jr2 s SER 8 Cb 0.00 -1.93 0.13 0.00 0.10 0.00 0.00 66.02 64.33 2jr2 s SER 8 CO 0.00 0.04 1.77 0.78 0.98 0.00 0.00 173.24 176.81 2jr2 h ASN 9 N 7.65 0.26 -0.81 7.02 2.35 -2.00 0.08 115.58 130.13 2jr2 h ASN 9 Ca -0.37 0.04 0.12 0.00 -0.55 0.00 0.00 56.30 55.55 2jr2 h ASN 9 Cb 1.18 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.46 2jr2 h ASN 9 CO 0.62 0.18 0.42 -0.33 -1.65 0.00 0.00 177.43 176.67 2jr2 h GLU 10 N 0.41 0.62 -0.05 0.81 3.07 -1.99 -0.80 114.58 116.65 2jr2 h GLU 10 Ca 0.22 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 58.83 2jr2 h GLU 10 Cb 0.18 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2jr2 h GLU 10 CO -0.19 0.41 -0.77 -0.09 -1.40 0.00 0.00 179.01 176.98 2jr2 h ARG 11 N 0.64 0.61 -0.51 2.33 2.43 -1.70 -0.43 114.38 117.76 2jr2 h ARG 11 Ca 0.42 -0.59 0.06 0.00 -0.81 0.00 0.00 59.98 59.06 2jr2 h ARG 11 Cb 0.52 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 2jr2 h ARG 11 CO -0.32 1.20 0.21 0.28 -1.51 0.00 0.00 179.97 179.83 2jr2 h VAL 12 N 0.23 0.87 0.00 0.20 2.07 -0.49 0.34 116.25 119.47 2jr2 h VAL 12 Ca -0.08 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 2jr2 h VAL 12 Cb 1.43 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2jr2 h VAL 12 CO 0.15 0.07 -0.40 -0.33 0.02 0.00 0.00 177.57 177.09 2jr2 h GLU 13 N 0.40 0.00 -0.42 1.57 5.08 -1.18 -2.51 114.58 117.52 2jr2 h GLU 13 Ca 0.24 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 2jr2 h GLU 13 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2jr2 h GLU 13 CO -0.22 0.40 -0.27 -0.22 -1.00 0.00 0.00 179.01 177.70 2jr2 h LYS 14 N 0.00 0.90 -0.31 2.33 3.11 0.41 -0.18 116.57 122.83 2jr2 h LYS 14 Ca -0.00 -0.40 -0.02 0.00 -2.81 0.00 0.00 60.65 57.42 2jr2 h LYS 14 Cb 0.97 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.17 2jr2 h LYS 14 CO 0.05 1.05 0.13 0.82 -2.81 0.00 0.00 179.45 178.70 2jr2 h ILE 15 N 0.77 1.17 -0.82 2.00 2.04 -0.19 0.10 117.51 122.58 2jr2 h ILE 15 Ca 0.09 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.48 2jr2 h ILE 15 Cb 0.83 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 2jr2 h ILE 15 CO 0.07 0.18 0.52 0.40 0.00 0.00 0.00 178.15 179.32 2jr2 h ILE 16 N 0.36 1.09 -0.28 -0.67 2.04 -1.31 -1.46 117.51 117.28 2jr2 h ILE 16 Ca 0.11 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2jr2 h ILE 16 Cb 0.16 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 2jr2 h ILE 16 CO -0.01 0.18 0.16 -0.61 0.00 0.00 0.00 178.15 177.87 2jr2 h GLN 17 N 0.99 0.39 -0.92 2.37 5.75 -0.63 -0.68 115.11 122.38 2jr2 h GLN 17 Ca 0.34 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.88 2jr2 h GLN 17 Cb 0.07 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.47 2jr2 h GLN 17 CO -0.13 0.32 0.57 -0.44 -2.65 0.00 0.00 178.83 176.50 2jr2 h ASP 18 N 0.34 0.87 -0.30 -0.69 3.32 -0.44 0.27 116.42 119.79 2jr2 h ASP 18 Ca 0.10 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2jr2 h ASP 18 Cb 0.05 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2jr2 h ASP 18 CO -0.02 0.53 0.14 -0.07 -1.72 0.00 0.00 179.24 178.10 2jr2 h LEU 19 N 0.99 0.41 -0.95 1.55 3.38 -0.88 -2.48 115.31 117.33 2jr2 h LEU 19 Ca 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2jr2 h LEU 19 Cb 0.27 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2jr2 h LEU 19 CO -0.21 0.43 0.57 -0.07 0.09 0.00 0.00 178.44 179.26 2jr2 h LEU 20 N 0.35 1.14 -0.70 1.67 3.38 -0.05 -2.45 115.31 118.65 2jr2 h LEU 20 Ca 0.10 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2jr2 h LEU 20 Cb 0.14 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2jr2 h LEU 20 CO -0.01 0.87 0.40 0.44 0.09 0.00 0.00 178.44 180.24 2jr2 h ASP 21 N 1.31 0.62 -0.46 -0.43 3.32 -0.25 0.68 116.42 121.21 2jr2 h ASP 21 Ca 0.34 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 2jr2 h ASP 21 Cb -0.06 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2jr2 h ASP 21 CO -0.06 0.40 0.25 0.58 -1.72 0.00 0.00 179.24 178.69 2jr2 h VAL 22 N 0.75 1.17 -0.42 -1.35 2.07 -1.01 0.16 116.25 117.61 2jr2 h VAL 22 Ca 0.31 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2jr2 h VAL 22 Cb 0.16 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2jr2 h VAL 22 CO -0.17 0.18 0.13 -0.07 0.02 0.00 0.00 177.57 177.66 2jr2 h LEU 23 N 0.60 0.62 -0.92 2.57 3.38 -0.96 -2.56 115.31 118.04 2jr2 h LEU 23 Ca 0.16 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2jr2 h LEU 23 Cb 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2jr2 h LEU 23 CO -0.02 0.66 -0.47 0.58 0.09 0.00 0.00 178.44 179.27 2jr2 h VAL 24 N 0.54 1.34 -0.46 1.22 2.07 -0.71 -1.53 116.25 118.73 2jr2 h VAL 24 Ca 0.14 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 65.94 2jr2 h VAL 24 Cb 0.27 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2jr2 h VAL 24 CO -0.00 0.49 0.05 0.50 0.02 0.00 0.00 177.57 178.62 2jr2 h LYS 25 N 0.12 0.72 0.00 1.57 3.64 -0.39 -1.73 116.57 120.50 2jr2 h LYS 25 Ca 0.01 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2jr2 h LYS 25 Cb 0.88 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2jr2 h LYS 25 CO 0.07 0.70 -0.36 0.93 -2.27 0.00 0.00 179.45 178.52 2jr2 h GLU 26 N 0.69 0.00 -5.73 1.90 4.39 -1.25 -3.48 114.58 111.09 2jr2 h GLU 26 Ca 0.15 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.51 2jr2 h GLU 26 Cb 0.35 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 29.15 2jr2 h GLU 26 CO 0.01 0.00 -0.83 0.39 -1.16 0.00 0.00 179.01 177.42 2jr2 n GLU 27 N -2.43 -4.41 -2.59 2.33 1.02 -0.61 -4.96 120.64 108.99 2jr2 n GLU 27 Ca 0.04 0.77 -0.37 0.00 -0.02 0.00 0.00 57.16 57.58 2jr2 n GLU 27 Cb 0.47 -5.55 -0.05 0.00 -0.02 0.00 0.00 31.44 26.29 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 -3.45 3.82 0.39 2.62 -7.23 -1.01 -5.04 120.40 110.51 2jr2 s VAL 28 Ca 0.18 1.46 -0.24 0.00 -1.81 0.00 0.00 61.98 61.57 2jr2 s VAL 28 Cb -0.03 -3.78 -0.09 0.00 0.56 0.00 0.00 36.38 33.03 2jr2 s VAL 28 CO 0.76 0.07 1.04 0.28 -0.31 0.00 0.00 175.10 176.95 2jr2 s THR 29 N -1.60 3.76 0.34 5.32 -1.32 -1.26 -4.82 115.64 116.06 2jr2 s THR 29 Ca 0.55 1.36 0.14 0.00 -1.21 0.00 0.00 61.69 62.52 2jr2 s THR 29 Cb -0.22 -3.71 0.33 0.00 -1.51 0.00 0.00 72.50 67.40 2jr2 s THR 29 CO 0.28 0.02 1.69 -0.65 -2.21 0.00 0.00 174.62 173.74 2jr2 h PRO 30 N 2.56 0.38 0.01 7.08 0.11 -1.98 0.39 132.00 140.55 2jr2 h PRO 30 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jr2 h PRO 30 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jr2 h PRO 30 CO 0.63 0.25 -0.00 0.22 -0.21 0.00 0.00 178.00 178.89 2jr2 h ASP 31 N 0.40 -0.01 -0.57 -2.05 1.82 -1.99 -0.46 116.42 113.56 2jr2 h ASP 31 Ca 0.71 -0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 57.22 2jr2 h ASP 31 Cb 1.57 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.56 2jr2 h ASP 31 CO -0.55 0.08 0.19 0.25 -1.61 0.00 0.00 179.24 177.60 2jr2 h LEU 32 N -0.09 0.82 0.06 2.28 5.85 -1.35 -1.93 115.31 120.94 2jr2 h LEU 32 Ca -0.00 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.54 2jr2 h LEU 32 Cb 0.09 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2jr2 h LEU 32 CO 0.00 0.80 -0.16 0.00 -0.34 0.00 0.00 178.44 178.74 2jr2 h ALA 33 N 1.05 -0.24 -0.86 1.25 0.00 -0.12 -0.28 119.26 120.07 2jr2 h ALA 33 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2jr2 h ALA 33 Cb 0.27 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2jr2 h ALA 33 CO -0.01 -0.67 0.43 -0.07 0.00 0.00 0.00 179.25 178.93 2jr2 h LEU 34 N -0.29 1.11 -0.90 0.00 3.38 -1.01 0.23 115.31 117.83 2jr2 h LEU 34 Ca 0.03 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2jr2 h LEU 34 Cb 0.33 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2jr2 h LEU 34 CO -0.11 0.92 0.21 -0.03 0.09 0.00 0.00 178.44 179.52 2jr2 h MET 35 N 1.21 1.02 -0.07 1.13 4.05 -0.98 0.21 114.93 121.51 2jr2 h MET 35 Ca 0.30 -0.20 -0.09 0.00 -0.28 0.00 0.00 59.70 59.42 2jr2 h MET 35 Cb 0.09 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 2jr2 h MET 35 CO -0.04 0.87 -0.31 0.00 0.23 0.00 0.00 176.91 177.66 2jr2 h LEU 37 N -0.15 0.84 -0.76 0.00 3.38 -0.34 -1.05 115.31 117.23 2jr2 h LEU 37 Ca -0.02 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2jr2 h LEU 37 Cb 0.96 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 2jr2 h LEU 37 CO 0.07 0.65 0.44 1.23 0.09 0.00 0.00 178.44 180.92 2jr2 h GLY 38 N 0.96 1.13 1.28 0.83 0.00 -0.65 0.27 103.07 106.88 2jr2 h GLY 38 Ca 0.25 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 2jr2 h GLY 38 CO -0.05 0.20 -0.30 3.43 0.00 0.00 0.00 176.54 179.82 2jr2 h ASN 39 N 0.81 0.84 -0.24 0.19 2.35 -1.40 -1.45 115.58 116.69 2jr2 h ASN 39 Ca 0.34 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2jr2 h ASN 39 Cb 0.19 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2jr2 h ASN 39 CO -0.18 1.08 0.08 0.00 -1.65 0.00 0.00 177.43 176.76 2jr2 h ALA 40 N 0.97 0.31 -0.10 -0.83 0.00 -0.26 -0.85 119.26 118.51 2jr2 h ALA 40 Ca 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jr2 h ALA 40 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2jr2 h ALA 40 CO 0.07 -0.08 0.02 0.28 0.00 0.00 0.00 179.25 179.55 2jr2 h VAL 41 N 0.22 0.97 -0.72 0.00 2.07 -0.43 -1.40 116.25 116.96 2jr2 h VAL 41 Ca 0.08 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2jr2 h VAL 41 Cb 0.21 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2jr2 h VAL 41 CO -0.00 0.01 0.48 0.74 0.02 0.00 0.00 177.57 178.81 2jr2 h THR 42 N 0.07 1.11 -0.29 2.57 2.02 -1.15 0.11 112.91 117.35 2jr2 h THR 42 Ca 0.04 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.80 2jr2 h THR 42 Cb 0.03 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2jr2 h THR 42 CO -0.05 0.16 -0.33 -1.13 0.37 0.00 0.00 175.52 174.54 2jr2 h ASN 43 N 0.88 0.64 -0.14 4.18 -1.24 -0.69 -1.24 115.58 117.96 2jr2 h ASN 43 Ca 0.29 -0.26 -0.12 0.00 0.71 0.00 0.00 56.30 56.92 2jr2 h ASN 43 Cb 0.05 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.93 2jr2 h ASN 43 CO -0.08 0.92 -0.39 0.40 -1.29 0.00 0.00 177.43 176.99 2jr2 h ILE 44 N 0.52 1.36 0.00 2.57 1.08 -0.17 -3.14 117.51 119.73 2jr2 h ILE 44 Ca 0.06 -1.67 -0.04 0.00 -0.39 0.00 0.00 64.86 62.82 2jr2 h ILE 44 Cb 0.82 2.04 -0.01 0.00 -3.07 0.00 0.00 36.82 36.61 2jr2 h ILE 44 CO 0.07 0.50 -0.21 0.40 -0.69 0.00 0.00 178.15 178.23 2jr2 h ILE 45 N 0.13 1.05 0.00 -0.67 2.04 -0.74 -1.19 117.51 118.12 2jr2 h ILE 45 Ca -0.01 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2jr2 h ILE 45 Cb 1.00 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2jr2 h ILE 45 CO 0.08 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.44 2jr2 h ALA 46 N 1.79 1.00 0.00 1.87 0.00 -1.17 -1.43 119.26 121.32 2jr2 h ALA 46 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jr2 h ALA 46 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jr2 h ALA 46 CO 0.03 0.00 -0.47 1.04 0.00 0.00 0.00 179.25 179.85 2jr2 n GLN 47 N -3.06 0.11 -2.85 0.00 6.02 -0.46 -4.85 117.38 112.29 2jr2 n GLN 47 Ca -0.00 0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.62 2jr2 n GLN 47 Cb 0.24 -1.57 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 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 -3.06 4.48 0.04 5.09 1.01 -0.54 -5.00 120.40 122.42 2jr2 s VAL 48 Ca 0.10 1.89 -0.38 0.00 0.00 0.00 0.00 61.98 63.58 2jr2 s VAL 48 Cb 0.16 -4.23 -0.18 0.00 0.00 0.00 0.00 36.38 32.13 2jr2 s VAL 48 CO 0.68 0.39 1.28 -2.65 0.00 0.00 0.00 175.10 174.81 2jr2 n PRO 49 N 2.39 0.79 0.26 2.72 -0.02 -1.26 -4.63 135.00 135.24 2jr2 n PRO 49 Ca -0.01 0.29 0.08 0.00 -2.02 0.00 0.00 63.50 61.84 2jr2 n PRO 49 Cb 0.49 -1.89 0.65 0.00 -0.02 0.00 0.00 33.50 32.73 2jr2 n PRO 49 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2jr2 h GLU 50 N 4.20 0.00 -0.02 -0.52 4.81 -1.94 0.17 114.58 121.28 2jr2 h GLU 50 Ca -0.49 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 2jr2 h GLU 50 Cb 1.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 2jr2 h GLU 50 CO 0.75 0.03 -0.16 0.77 -0.73 0.00 0.00 179.01 179.68 2jr2 h SER 51 N 0.00 0.03 -0.24 1.04 0.02 -2.02 -1.83 113.55 110.54 2jr2 h SER 51 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jr2 h SER 51 Cb 0.06 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2jr2 h SER 51 CO 0.00 0.19 0.00 2.29 -1.14 0.00 0.00 176.83 178.17 2jr2 n LYS 52 N -4.34 2.58 -0.00 3.45 2.85 -0.25 -4.56 118.16 117.89 2jr2 n LYS 52 Ca -0.02 -1.83 -0.18 0.00 -1.05 0.00 0.00 58.31 55.23 2jr2 n LYS 52 Cb 0.23 -1.21 -0.09 0.00 -0.65 0.00 0.00 35.03 33.31 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 1.61 0.59 -0.07 -1.58 2.43 0.14 -1.55 114.38 115.95 2jr2 h ARG 53 Ca 0.00 -0.55 -0.08 0.00 -0.81 0.00 0.00 59.98 58.54 2jr2 h ARG 53 Cb 0.65 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2jr2 h ARG 53 CO 0.00 1.17 -0.34 0.28 -1.51 0.00 0.00 179.97 179.57 2jr2 h VAL 54 N 0.21 1.27 0.16 0.20 2.07 -1.79 -2.68 116.25 115.69 2jr2 h VAL 54 Ca -0.07 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 2jr2 h VAL 54 Cb 1.36 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2jr2 h VAL 54 CO 0.14 0.38 -0.08 0.00 0.02 0.00 0.00 177.57 178.03 2jr2 h ALA 55 N 1.53 -0.21 -0.52 1.67 0.00 -1.78 -2.41 119.26 117.54 2jr2 h ALA 55 Ca 0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2jr2 h ALA 55 Cb 0.67 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2jr2 h ALA 55 CO 0.05 -0.42 0.08 -0.39 0.00 0.00 0.00 179.25 178.57 2jr2 h VAL 56 N -0.61 1.23 -0.09 0.00 -1.51 -1.26 -1.55 116.25 112.46 2jr2 h VAL 56 Ca -0.02 -0.88 -0.17 0.00 -1.23 0.00 0.00 66.70 64.40 2jr2 h VAL 56 Cb 0.46 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 2jr2 h VAL 56 CO 0.04 0.32 -0.67 1.62 -1.23 0.00 0.00 177.57 177.65 2jr2 h VAL 57 N 0.78 1.37 -0.27 7.19 3.04 -1.53 -0.23 116.25 126.60 2jr2 h VAL 57 Ca 0.16 -2.05 -0.10 0.00 -1.01 0.00 0.00 66.70 63.71 2jr2 h VAL 57 Cb 0.35 2.03 -0.00 0.00 -2.01 0.00 0.00 31.29 31.65 2jr2 h VAL 57 CO 0.01 0.62 -0.23 -0.78 -1.01 0.00 0.00 177.57 176.17 2jr2 h ASP 58 N 0.28 0.66 -0.55 3.17 1.82 -1.10 -0.08 116.42 120.62 2jr2 h ASP 58 Ca -0.02 -0.46 -0.07 0.00 -0.39 0.00 0.00 57.03 56.09 2jr2 h ASP 58 Cb 1.22 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 41.02 2jr2 h ASP 58 CO 0.11 0.98 0.08 0.78 -1.61 0.00 0.00 179.24 179.59 2jr2 h ASN 59 N 0.35 0.92 0.13 2.28 2.35 -1.28 -1.49 115.58 118.84 2jr2 h ASN 59 Ca 0.05 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2jr2 h ASN 59 Cb 0.78 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2jr2 h ASN 59 CO 0.06 0.93 -0.13 0.15 -1.65 0.00 0.00 177.43 176.79 2jr2 h PHE 60 N 0.91 -0.34 -0.52 1.19 3.57 -0.77 -0.56 116.94 120.42 2jr2 h PHE 60 Ca 0.18 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2jr2 h PHE 60 Cb 0.41 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2jr2 h PHE 60 CO 0.03 -0.20 0.01 1.79 -2.23 0.00 0.00 178.31 177.71 2jr2 h THR 61 N -0.29 1.25 0.12 4.41 1.35 -0.89 -1.57 112.91 117.29 2jr2 h THR 61 Ca 0.01 -1.03 -0.01 0.00 -0.55 0.00 0.00 66.41 64.83 2jr2 h THR 61 Cb 0.28 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 2jr2 h THR 61 CO -0.04 0.37 -0.06 0.50 -0.25 0.00 0.00 175.52 176.04 2jr2 h LYS 62 N 0.81 -0.15 -0.91 4.72 3.64 -1.10 -2.54 116.57 121.04 2jr2 h LYS 62 Ca 0.16 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2jr2 h LYS 62 Cb 0.47 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 2jr2 h LYS 62 CO 0.02 0.11 0.58 0.00 -2.27 0.00 0.00 179.45 177.89 2jr2 h ALA 63 N 0.45 1.21 0.44 5.00 0.00 -0.98 -2.52 119.26 122.85 2jr2 h ALA 63 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jr2 h ALA 63 Cb 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jr2 h ALA 63 CO 0.03 0.41 -0.46 -0.07 0.00 0.00 0.00 179.25 179.16 2jr2 h LEU 64 N 1.11 -1.25 -0.22 0.00 3.38 -1.21 -1.77 115.31 115.35 2jr2 h LEU 64 Ca 0.37 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.46 2jr2 h LEU 64 Cb 0.06 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2jr2 h LEU 64 CO -0.14 -0.61 0.10 0.11 0.09 0.00 0.00 178.44 177.99 2jr2 h LYS 65 N -0.91 0.21 0.00 1.13 1.57 -1.11 -0.34 116.57 117.12 2jr2 h LYS 65 Ca -0.04 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 2jr2 h LYS 65 Cb 0.80 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2jr2 h LYS 65 CO -0.07 0.14 -0.54 -0.56 -0.57 0.00 0.00 179.45 177.85 2jr2 h GLN 66 N 0.22 0.00 0.00 3.15 3.07 -1.49 -0.86 115.11 119.20 2jr2 h GLN 66 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 2jr2 h GLN 66 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.59 2jr2 h GLN 66 CO -0.07 0.54 -0.23 0.77 0.09 0.00 0.00 178.83 179.93 2jr2 h SER 67 N 0.00 0.00 0.09 0.06 0.02 -0.84 -3.07 113.55 109.80 2jr2 h SER 67 Ca -0.01 -0.05 -0.34 0.00 -0.84 0.00 0.00 61.79 60.56 2jr2 h SER 67 Cb 0.99 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 2jr2 h SER 67 CO 0.07 0.02 -1.88 0.52 -1.14 0.00 0.00 176.83 174.42 2jr2 n VAL 68 N -2.47 1.70 -0.16 2.27 0.31 -0.18 -3.50 118.33 116.30 2jr2 n VAL 68 Ca 0.04 -0.50 -0.02 0.00 -0.01 0.00 0.00 64.34 63.85 2jr2 n VAL 68 Cb 0.47 -1.79 0.20 0.00 -0.91 0.00 0.00 33.84 31.81 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 -0.20 0.81 -2.60 7.52 3.38 -1.25 -1.22 115.31 121.75 2jr2 h LEU 69 Ca -0.43 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2jr2 h LEU 69 Cb 1.85 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2jr2 h LEU 69 CO -0.00 0.74 0.00 -0.62 0.09 0.00 0.00 178.44 178.64 2jr2 n GLU 70 N -4.31 3.31 -2.13 1.13 1.02 -1.16 -4.75 120.64 113.74 2jr2 n GLU 70 Ca 0.05 -2.25 -0.42 0.00 -0.02 0.00 0.00 57.16 54.52 2jr2 n GLU 70 Cb 0.18 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 2jr2 n GLU 70 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jr2 n HIS 71 N 0.74 3.35 0.00 -0.32 -0.00 -0.46 -4.35 115.22 114.18 2jr2 n HIS 71 Ca 0.20 -2.90 0.00 0.00 0.46 0.00 0.00 57.72 55.49 2jr2 n HIS 71 Cb 0.78 -2.24 0.00 0.00 -0.12 0.00 0.00 29.99 28.41 2jr2 n HIS 71 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jr2 n HIS 72 N 5.05 0.00 -3.75 1.57 8.25 -1.26 -5.03 115.22 120.05 2jr2 n HIS 72 Ca 0.45 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.79 2jr2 n HIS 72 Cb 0.38 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.41 2jr2 n HIS 72 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jr2 s HIS 73 N 0.00 -0.14 -0.36 4.41 3.76 -1.26 -5.12 115.29 116.58 2jr2 s HIS 73 Ca 0.00 0.08 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 2jr2 s HIS 73 Cb 0.00 0.10 0.15 0.00 1.11 0.00 0.00 32.58 33.94 2jr2 s HIS 73 CO 0.00 -0.47 0.28 -1.01 -0.85 0.00 0.00 174.74 172.69 2jr2 s HIS 74 N -2.14 0.36 -0.67 1.40 4.02 -1.26 -5.08 115.29 111.92 2jr2 s HIS 74 Ca -0.08 -1.37 -0.27 0.00 1.02 0.00 0.00 55.06 54.36 2jr2 s HIS 74 Cb -0.02 -0.72 0.02 0.00 -1.02 0.00 0.00 32.58 30.84 2jr2 s HIS 74 CO -0.01 -0.88 1.35 -3.38 1.02 0.00 0.00 174.74 172.84 2jr2 s HIS 75 N 1.15 2.28 -1.17 1.40 -3.43 -1.26 -5.29 115.29 108.97 2jr2 s HIS 75 Ca 0.18 0.21 0.09 0.00 -0.80 0.00 0.00 55.06 54.75 2jr2 s HIS 75 Cb -0.19 -4.51 0.07 0.00 -1.43 0.00 0.00 32.58 26.52 2jr2 s HIS 75 CO -0.01 -2.00 0.80 1.58 -2.00 0.00 0.00 174.74 173.11