#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 1.81 -0.30 3.17 0.02 -1.26 -4.80 135.00 133.64 2jr2 s PRO 2 Ca 0.00 0.55 -0.16 0.00 0.02 0.00 0.00 61.00 61.41 2jr2 s PRO 2 Cb 0.00 -4.77 0.17 0.00 0.02 0.00 0.00 34.50 29.92 2jr2 s PRO 2 CO 0.00 -4.11 1.05 -1.50 -0.33 0.00 0.00 177.00 172.11 2jr2 s ILE 3 N 13.74 -0.41 0.80 2.83 2.07 -1.26 -5.18 121.20 133.79 2jr2 s ILE 3 Ca 0.90 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 60.10 2jr2 s ILE 3 Cb -0.13 -1.00 0.16 0.00 0.13 0.00 0.00 42.46 41.62 2jr2 s ILE 3 CO 0.10 0.00 1.09 0.68 -1.91 0.00 0.00 174.94 174.90 2jr2 s VAL 4 N 2.38 2.04 -0.56 4.00 -7.23 -1.26 -4.91 120.40 114.86 2jr2 s VAL 4 Ca -0.02 -0.47 -0.26 0.00 -1.81 0.00 0.00 61.98 59.42 2jr2 s VAL 4 Cb -0.05 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 2jr2 s VAL 4 CO -0.17 0.00 2.13 -0.44 -0.31 0.00 0.00 175.10 176.31 2jr2 s SER 5 N -4.82 4.84 0.00 4.85 0.01 -1.26 -1.97 113.70 115.35 2jr2 s SER 5 Ca 0.69 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.62 2jr2 s SER 5 Cb -0.04 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2jr2 s SER 5 CO 0.47 -2.65 0.00 1.17 0.41 0.00 0.00 173.24 172.64 2jr2 n LYS 6 N 9.09 0.00 0.00 12.44 4.81 -1.26 -5.14 118.16 138.10 2jr2 n LYS 6 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2jr2 n LYS 6 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 2jr2 n LYS 6 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jr2 n TYR 7 N 0.00 0.00 -3.82 5.64 4.01 -0.83 -4.77 117.16 117.38 2jr2 n TYR 7 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 2jr2 n TYR 7 Cb 0.00 0.04 -0.11 0.00 -0.31 0.00 0.00 39.34 38.96 2jr2 n TYR 7 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2jr2 s SER 8 N -4.00 -0.12 0.46 7.72 0.15 -1.26 -5.01 113.70 111.63 2jr2 s SER 8 Ca 0.00 0.15 0.15 0.00 0.70 0.00 0.00 55.95 56.95 2jr2 s SER 8 Cb 0.00 0.33 1.11 0.00 -1.71 0.00 0.00 66.02 65.75 2jr2 s SER 8 CO 0.00 -0.23 2.01 0.78 1.20 0.00 0.00 173.24 177.00 2jr2 h ASN 9 N 5.02 0.27 -0.75 5.45 2.35 -1.99 -0.78 115.58 125.15 2jr2 h ASN 9 Ca -0.28 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.43 2jr2 h ASN 9 Cb 1.19 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 2jr2 h ASN 9 CO 0.39 0.17 0.30 -0.33 -1.65 0.00 0.00 177.43 176.30 2jr2 h GLU 10 N 0.30 1.13 0.20 0.81 5.08 -1.98 0.26 114.58 120.37 2jr2 h GLU 10 Ca 0.23 -0.21 -0.32 0.00 -1.00 0.00 0.00 59.36 58.06 2jr2 h GLU 10 Cb 0.51 -0.18 0.03 0.00 0.50 0.00 0.00 28.75 29.60 2jr2 h GLU 10 CO -0.05 0.92 -1.38 -0.09 -1.00 0.00 0.00 179.01 177.42 2jr2 h ARG 11 N 1.09 0.52 -0.87 2.33 2.43 -1.70 -2.25 114.38 115.93 2jr2 h ARG 11 Ca 0.25 -0.83 -0.00 0.00 -0.81 0.00 0.00 59.98 58.59 2jr2 h ARG 11 Cb 0.22 0.30 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 2jr2 h ARG 11 CO -0.02 1.39 0.54 0.28 -1.51 0.00 0.00 179.97 180.65 2jr2 h VAL 12 N 0.17 1.24 -0.53 0.20 2.07 -1.06 0.12 116.25 118.46 2jr2 h VAL 12 Ca -0.22 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 66.88 2jr2 h VAL 12 Cb 2.07 -0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 2jr2 h VAL 12 CO 0.25 0.24 0.20 -0.08 0.02 0.00 0.00 177.57 178.21 2jr2 h GLU 13 N 1.19 0.38 -0.41 1.57 4.81 -0.50 0.90 114.58 122.52 2jr2 h GLU 13 Ca 0.31 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2jr2 h GLU 13 Cb -0.07 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2jr2 h GLU 13 CO -0.06 0.25 0.27 -0.22 -0.73 0.00 0.00 179.01 178.52 2jr2 h LYS 14 N 0.39 0.54 -0.29 1.92 3.64 -0.59 0.12 116.57 122.30 2jr2 h LYS 14 Ca 0.25 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2jr2 h LYS 14 Cb 0.27 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2jr2 h LYS 14 CO -0.25 0.36 0.15 0.82 -2.27 0.00 0.00 179.45 178.27 2jr2 h ILE 15 N 0.56 1.13 -0.35 2.00 2.04 -0.18 0.39 117.51 123.10 2jr2 h ILE 15 Ca 0.15 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.66 2jr2 h ILE 15 Cb -0.06 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2jr2 h ILE 15 CO -0.03 0.13 0.21 0.40 0.00 0.00 0.00 178.15 178.86 2jr2 h ILE 16 N 0.34 1.04 -0.52 -0.67 2.04 -0.63 0.12 117.51 119.22 2jr2 h ILE 16 Ca 0.10 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 2jr2 h ILE 16 Cb 0.08 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2jr2 h ILE 16 CO -0.02 0.08 0.08 -0.61 0.00 0.00 0.00 178.15 177.68 2jr2 h GLN 17 N 0.42 0.83 -0.26 2.37 5.75 -0.39 0.11 115.11 123.93 2jr2 h GLN 17 Ca 0.14 -0.19 -0.16 0.00 -0.15 0.00 0.00 58.65 58.29 2jr2 h GLN 17 Cb 0.00 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 2jr2 h GLN 17 CO -0.06 0.78 -0.48 0.22 -2.65 0.00 0.00 178.83 176.63 2jr2 h ASP 18 N 0.79 0.77 -0.25 -0.69 3.58 0.20 0.30 116.42 121.12 2jr2 h ASP 18 Ca 0.17 -0.38 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 2jr2 h ASP 18 Cb 0.36 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2jr2 h ASP 18 CO 0.01 1.13 0.05 -0.07 -2.88 0.00 0.00 179.24 177.48 2jr2 h LEU 19 N 0.56 0.38 -1.31 2.28 3.38 -0.39 -2.30 115.31 117.92 2jr2 h LEU 19 Ca 0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2jr2 h LEU 19 Cb 1.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2jr2 h LEU 19 CO 0.10 0.52 -0.08 -0.07 0.09 0.00 0.00 178.44 179.00 2jr2 h LEU 20 N 0.22 0.35 -1.30 1.67 3.38 -0.64 -2.03 115.31 116.97 2jr2 h LEU 20 Ca 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2jr2 h LEU 20 Cb 0.29 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2jr2 h LEU 20 CO 0.00 0.47 0.12 -0.78 0.09 0.00 0.00 178.44 178.35 2jr2 h ASP 21 N 0.35 0.55 -0.46 -0.43 3.58 -0.13 0.64 116.42 120.52 2jr2 h ASP 21 Ca 0.07 -0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 2jr2 h ASP 21 Cb 0.37 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 2jr2 h ASP 21 CO 0.02 0.54 0.01 0.58 -2.88 0.00 0.00 179.24 177.51 2jr2 h VAL 22 N 0.59 1.26 -0.25 2.25 2.07 -0.81 0.41 116.25 121.77 2jr2 h VAL 22 Ca 0.14 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 2jr2 h VAL 22 Cb 0.19 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2jr2 h VAL 22 CO -0.01 0.36 -0.08 -0.07 0.02 0.00 0.00 177.57 177.79 2jr2 h LEU 23 N 0.65 0.37 0.06 2.57 3.38 -0.85 -2.04 115.31 119.45 2jr2 h LEU 23 Ca 0.13 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.78 2jr2 h LEU 23 Cb 0.48 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2jr2 h LEU 23 CO 0.02 0.50 -1.16 0.58 0.09 0.00 0.00 178.44 178.47 2jr2 h VAL 24 N 0.37 1.56 -0.96 1.22 2.07 -0.73 -0.33 116.25 119.44 2jr2 h VAL 24 Ca 0.08 -3.21 0.10 0.00 0.82 0.00 0.00 66.70 64.48 2jr2 h VAL 24 Cb 0.38 2.86 -0.08 0.00 -1.52 0.00 0.00 31.29 32.93 2jr2 h VAL 24 CO 0.02 0.91 0.60 0.50 0.02 0.00 0.00 177.57 179.62 2jr2 h LYS 25 N 0.03 0.96 0.00 1.57 3.64 0.48 -0.83 116.57 122.42 2jr2 h LYS 25 Ca -0.09 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 2jr2 h LYS 25 Cb 1.87 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.47 2jr2 h LYS 25 CO 0.16 0.63 -1.14 0.93 -2.27 0.00 0.00 179.45 177.76 2jr2 h GLU 26 N 0.98 0.00 -5.55 1.90 4.39 -1.46 -3.49 114.58 111.35 2jr2 h GLU 26 Ca 0.46 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.08 2jr2 h GLU 26 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2jr2 h GLU 26 CO -0.24 0.15 -0.41 0.39 -1.16 0.00 0.00 179.01 177.74 2jr2 n GLU 27 N -2.81 -1.84 -3.22 2.33 1.02 -0.29 -5.01 120.64 110.81 2jr2 n GLU 27 Ca -0.04 1.69 -0.31 0.00 -0.02 0.00 0.00 57.16 58.48 2jr2 n GLU 27 Cb 0.69 -5.12 -0.05 0.00 -0.02 0.00 0.00 31.44 26.95 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 -2.70 4.87 0.56 2.62 -7.23 -0.33 -5.01 120.40 113.18 2jr2 s VAL 28 Ca 0.14 0.51 -0.14 0.00 -1.81 0.00 0.00 61.98 60.68 2jr2 s VAL 28 Cb -0.03 -3.66 -0.06 0.00 0.56 0.00 0.00 36.38 33.18 2jr2 s VAL 28 CO 0.78 -0.24 1.01 0.42 -0.31 0.00 0.00 175.10 176.76 2jr2 s THR 29 N -2.03 4.58 0.29 5.32 -4.23 -1.26 -4.81 115.64 113.50 2jr2 s THR 29 Ca 0.49 1.06 0.03 0.00 -1.18 0.00 0.00 61.69 62.08 2jr2 s THR 29 Cb -0.11 -3.77 0.28 0.00 1.34 0.00 0.00 72.50 70.24 2jr2 s THR 29 CO 0.24 -0.88 1.71 -0.65 -0.54 0.00 0.00 174.62 174.51 2jr2 h PRO 30 N 0.35 0.45 0.09 3.99 0.11 -1.98 0.50 132.00 135.52 2jr2 h PRO 30 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jr2 h PRO 30 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jr2 h PRO 30 CO 0.61 0.30 -0.05 0.22 -0.21 0.00 0.00 178.00 178.87 2jr2 h ASP 31 N 0.46 -0.11 -0.82 -2.05 3.58 -1.99 -1.48 116.42 114.01 2jr2 h ASP 31 Ca 0.54 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.80 2jr2 h ASP 31 Cb 0.97 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.01 2jr2 h ASP 31 CO -0.49 0.09 0.38 0.25 -2.88 0.00 0.00 179.24 176.59 2jr2 h LEU 32 N -0.30 1.09 0.50 2.28 5.85 -1.69 -1.23 115.31 121.81 2jr2 h LEU 32 Ca -0.01 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2jr2 h LEU 32 Cb 0.25 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2jr2 h LEU 32 CO 0.02 0.93 -0.24 0.00 -0.34 0.00 0.00 178.44 178.81 2jr2 h ALA 33 N 1.24 -0.68 -0.96 1.25 0.00 0.07 -0.61 119.26 119.57 2jr2 h ALA 33 Ca 0.28 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jr2 h ALA 33 Cb 0.14 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2jr2 h ALA 33 CO -0.03 -0.87 0.63 -0.07 0.00 0.00 0.00 179.25 178.91 2jr2 h LEU 34 N -0.70 1.10 -0.39 0.00 3.38 -1.14 0.12 115.31 117.69 2jr2 h LEU 34 Ca -0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2jr2 h LEU 34 Cb 0.53 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2jr2 h LEU 34 CO 0.11 0.80 0.20 -0.03 0.09 0.00 0.00 178.44 179.61 2jr2 h MET 35 N 1.30 0.55 -0.22 1.13 4.05 -1.07 0.21 114.93 120.88 2jr2 h MET 35 Ca 0.35 -0.08 -0.05 0.00 -0.28 0.00 0.00 59.70 59.64 2jr2 h MET 35 Cb -0.15 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.54 2jr2 h MET 35 CO -0.08 0.48 -0.08 0.00 0.23 0.00 0.00 176.91 177.47 2jr2 h LEU 37 N 0.16 0.82 -0.72 0.00 3.38 -0.63 -1.50 115.31 116.82 2jr2 h LEU 37 Ca 0.05 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2jr2 h LEU 37 Cb 0.55 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2jr2 h LEU 37 CO 0.03 0.66 0.44 1.23 0.09 0.00 0.00 178.44 180.88 2jr2 h GLY 38 N 0.92 1.05 1.52 0.83 0.00 -0.54 0.15 103.07 107.00 2jr2 h GLY 38 Ca 0.24 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 2jr2 h GLY 38 CO -0.04 0.24 -0.42 3.43 0.00 0.00 0.00 176.54 179.75 2jr2 h ASN 39 N 0.83 0.56 -0.22 0.19 2.35 -1.26 -0.99 115.58 117.04 2jr2 h ASN 39 Ca 0.30 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2jr2 h ASN 39 Cb 0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2jr2 h ASN 39 CO -0.14 0.91 0.08 0.00 -1.65 0.00 0.00 177.43 176.63 2jr2 h ALA 40 N 1.12 0.28 -0.12 -0.83 0.00 -0.41 0.25 119.26 119.56 2jr2 h ALA 40 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jr2 h ALA 40 Cb 0.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2jr2 h ALA 40 CO 0.08 -0.10 0.08 0.28 0.00 0.00 0.00 179.25 179.58 2jr2 h VAL 41 N 0.19 1.04 -0.76 0.00 2.07 -0.63 -2.50 116.25 115.66 2jr2 h VAL 41 Ca 0.07 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2jr2 h VAL 41 Cb 0.21 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2jr2 h VAL 41 CO -0.00 0.04 0.50 0.74 0.02 0.00 0.00 177.57 178.87 2jr2 h THR 42 N 0.15 1.16 -0.66 2.57 2.02 -1.06 -0.66 112.91 116.43 2jr2 h THR 42 Ca 0.04 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2jr2 h THR 42 Cb -0.00 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.46 2jr2 h THR 42 CO -0.01 0.18 0.43 -1.13 0.37 0.00 0.00 175.52 175.36 2jr2 h ASN 43 N 0.98 0.77 -0.34 4.18 -1.24 -0.58 0.25 115.58 119.60 2jr2 h ASN 43 Ca 0.29 -0.03 -0.09 0.00 0.71 0.00 0.00 56.30 57.18 2jr2 h ASN 43 Cb -0.03 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 2jr2 h ASN 43 CO -0.07 0.56 -0.15 0.40 -1.29 0.00 0.00 177.43 176.88 2jr2 h ILE 44 N 0.90 1.29 0.00 2.57 1.08 -0.93 -2.98 117.51 119.43 2jr2 h ILE 44 Ca 0.24 -1.25 -0.06 0.00 -0.39 0.00 0.00 64.86 63.40 2jr2 h ILE 44 Cb -0.09 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 2jr2 h ILE 44 CO -0.05 0.41 -0.28 0.40 -0.69 0.00 0.00 178.15 177.93 2jr2 h ILE 45 N 0.48 0.86 0.00 -0.67 2.04 -0.79 -2.37 117.51 117.06 2jr2 h ILE 45 Ca 0.08 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2jr2 h ILE 45 Cb 0.68 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2jr2 h ILE 45 CO 0.05 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.48 2jr2 h ALA 46 N 1.72 1.00 0.09 1.87 0.00 -0.37 -3.19 119.26 120.37 2jr2 h ALA 46 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 2jr2 h ALA 46 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2jr2 h ALA 46 CO 0.04 0.00 -1.58 1.96 0.00 0.00 0.00 179.25 179.67 2jr2 h GLN 47 N 0.00 0.19 -7.08 0.00 4.20 -1.32 -3.46 115.11 107.63 2jr2 h GLN 47 Ca 0.00 -0.32 -0.49 0.00 0.06 0.00 0.00 58.65 57.91 2jr2 h GLN 47 Cb 0.70 0.12 0.05 0.00 0.30 0.00 0.00 27.48 28.65 2jr2 h GLN 47 CO 0.00 1.00 0.41 0.14 -0.67 0.00 0.00 178.83 179.71 2jr2 s VAL 48 N -2.61 3.48 0.51 -0.54 -7.23 -1.18 -4.99 120.40 107.83 2jr2 s VAL 48 Ca -0.09 0.92 -0.23 0.00 -1.81 0.00 0.00 61.98 60.77 2jr2 s VAL 48 Cb 0.07 -3.37 -0.06 0.00 0.56 0.00 0.00 36.38 33.58 2jr2 s VAL 48 CO 0.84 -0.20 1.37 -2.65 -0.31 0.00 0.00 175.10 174.14 2jr2 n PRO 49 N -1.13 1.85 0.00 4.82 -0.02 -1.26 -4.75 135.00 134.50 2jr2 n PRO 49 Ca 0.10 0.67 0.05 0.00 -2.02 0.00 0.00 63.50 62.31 2jr2 n PRO 49 Cb 0.52 -2.57 0.25 0.00 -0.02 0.00 0.00 33.50 31.67 2jr2 n PRO 49 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2jr2 n GLU 50 N -0.72 0.05 0.25 -0.52 2.13 -1.26 -1.37 120.64 119.19 2jr2 n GLU 50 Ca 0.09 0.27 0.07 0.00 0.66 0.00 0.00 57.16 58.26 2jr2 n GLU 50 Cb 0.43 -1.50 0.60 0.00 0.27 0.00 0.00 31.44 31.24 2jr2 n GLU 50 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2jr2 h SER 51 N 0.00 0.00 0.00 4.31 0.02 -2.01 -2.96 113.55 112.91 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 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2jr2 h SER 51 CO 0.00 0.09 -1.39 0.29 -1.14 0.00 0.00 176.83 174.68 2jr2 n LYS 52 N -4.35 0.40 -0.33 3.45 5.02 -0.47 -4.77 118.16 117.10 2jr2 n LYS 52 Ca -0.03 -0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.19 2jr2 n LYS 52 Cb 0.17 -1.21 0.15 0.00 -0.02 0.00 0.00 35.03 34.12 2jr2 n LYS 52 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2jr2 h ARG 53 N 0.00 1.02 0.10 1.97 2.43 -1.19 0.77 114.38 119.49 2jr2 h ARG 53 Ca 0.00 -0.06 -0.26 0.00 -0.81 0.00 0.00 59.98 58.84 2jr2 h ARG 53 Cb 0.41 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2jr2 h ARG 53 CO 0.00 0.68 -1.17 0.28 -1.51 0.00 0.00 179.97 178.25 2jr2 h VAL 54 N 1.06 1.45 -0.26 0.20 2.07 -1.86 -2.96 116.25 115.93 2jr2 h VAL 54 Ca 0.39 -2.83 -0.12 0.00 0.82 0.00 0.00 66.70 64.96 2jr2 h VAL 54 Cb 0.15 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2jr2 h VAL 54 CO -0.17 0.83 -0.29 0.00 0.02 0.00 0.00 177.57 177.96 2jr2 h ALA 55 N 0.59 0.39 -0.30 1.67 0.00 -1.70 -2.57 119.26 117.35 2jr2 h ALA 55 Ca -0.13 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 2jr2 h ALA 55 Cb 1.86 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2jr2 h ALA 55 CO 0.20 0.41 -0.26 -0.39 0.00 0.00 0.00 179.25 179.20 2jr2 h VAL 56 N 0.39 1.27 -0.05 0.00 -1.51 -0.95 -1.83 116.25 113.57 2jr2 h VAL 56 Ca 0.04 -1.34 -0.20 0.00 -1.23 0.00 0.00 66.70 63.97 2jr2 h VAL 56 Cb 0.87 1.33 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 2jr2 h VAL 56 CO 0.07 0.43 -0.81 1.62 -1.23 0.00 0.00 177.57 177.66 2jr2 h VAL 57 N 0.52 1.39 -0.36 7.19 3.04 -1.54 -0.24 116.25 126.26 2jr2 h VAL 57 Ca 0.07 -2.26 -0.09 0.00 -1.01 0.00 0.00 66.70 63.42 2jr2 h VAL 57 Cb 0.73 2.22 -0.01 0.00 -2.01 0.00 0.00 31.29 32.22 2jr2 h VAL 57 CO 0.06 0.68 -0.11 -0.78 -1.01 0.00 0.00 177.57 176.40 2jr2 h ASP 58 N 0.26 0.72 -0.60 3.17 3.58 -1.33 -0.10 116.42 122.13 2jr2 h ASP 58 Ca -0.05 -0.38 -0.09 0.00 0.42 0.00 0.00 57.03 56.94 2jr2 h ASP 58 Cb 1.41 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 2jr2 h ASP 58 CO 0.14 0.93 0.04 0.78 -2.88 0.00 0.00 179.24 178.25 2jr2 h ASN 59 N 0.50 1.02 0.39 2.28 2.35 -1.32 0.26 115.58 121.06 2jr2 h ASN 59 Ca 0.09 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 2jr2 h ASN 59 Cb 0.63 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2jr2 h ASN 59 CO 0.04 1.05 -0.29 0.15 -1.65 0.00 0.00 177.43 176.74 2jr2 h PHE 60 N 0.97 -0.76 -0.55 1.19 3.57 -0.85 0.04 116.94 120.56 2jr2 h PHE 60 Ca 0.18 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 2jr2 h PHE 60 Cb 0.51 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 2jr2 h PHE 60 CO 0.04 -0.43 -0.03 1.79 -2.23 0.00 0.00 178.31 177.44 2jr2 h THR 61 N -0.67 1.27 -0.56 4.41 1.35 -0.92 -1.60 112.91 116.18 2jr2 h THR 61 Ca -0.04 -1.17 0.02 0.00 -0.55 0.00 0.00 66.41 64.67 2jr2 h THR 61 Cb 0.57 0.92 -0.03 0.00 -1.73 0.00 0.00 68.15 67.88 2jr2 h THR 61 CO 0.00 0.42 0.35 0.50 -0.25 0.00 0.00 175.52 176.54 2jr2 h LYS 62 N 0.87 0.69 -0.62 4.72 3.64 -0.41 -1.88 116.57 123.57 2jr2 h LYS 62 Ca 0.15 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2jr2 h LYS 62 Cb 0.59 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2jr2 h LYS 62 CO 0.04 0.45 0.23 0.00 -2.27 0.00 0.00 179.45 177.90 2jr2 h ALA 63 N 1.23 0.81 -0.09 5.00 0.00 -0.73 -2.37 119.26 123.11 2jr2 h ALA 63 Ca 0.22 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2jr2 h ALA 63 Cb -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2jr2 h ALA 63 CO -0.08 0.45 -0.15 -0.07 0.00 0.00 0.00 179.25 179.40 2jr2 h LEU 64 N 0.88 -0.46 -0.31 0.00 3.38 -0.98 -0.73 115.31 117.08 2jr2 h LEU 64 Ca 0.21 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.30 2jr2 h LEU 64 Cb 0.23 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2jr2 h LEU 64 CO -0.01 -0.20 0.05 0.11 0.09 0.00 0.00 178.44 178.48 2jr2 h LYS 65 N -0.20 0.16 0.00 1.13 1.57 -1.10 0.49 116.57 118.61 2jr2 h LYS 65 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2jr2 h LYS 65 Cb 0.32 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2jr2 h LYS 65 CO -0.21 0.11 0.00 -0.56 -0.57 0.00 0.00 179.45 178.21 2jr2 h GLN 66 N 0.16 0.00 0.00 3.15 -0.00 -1.24 0.18 115.11 117.36 2jr2 h GLN 66 Ca 0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.74 2jr2 h GLN 66 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.64 2jr2 h GLN 66 CO -0.20 0.00 -0.93 0.77 -0.00 0.00 0.00 178.83 178.47 2jr2 h SER 67 N 0.00 0.00 0.01 0.06 0.02 -0.57 -3.24 113.55 109.83 2jr2 h SER 67 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 2jr2 h SER 67 Cb 0.79 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.29 2jr2 h SER 67 CO 0.00 0.20 -1.76 0.52 -1.14 0.00 0.00 176.83 174.65 2jr2 n VAL 68 N -2.84 1.55 -0.14 2.27 0.31 0.11 -4.46 118.33 115.13 2jr2 n VAL 68 Ca -0.02 -0.21 -0.09 0.00 -0.01 0.00 0.00 64.34 64.02 2jr2 n VAL 68 Cb 0.64 -1.94 -0.00 0.00 -0.91 0.00 0.00 33.84 31.62 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 -0.87 0.56 -7.90 7.52 4.07 -0.84 -3.32 115.31 114.53 2jr2 h LEU 69 Ca -0.47 -0.14 -0.74 0.00 0.08 0.00 0.00 57.88 56.61 2jr2 h LEU 69 Cb 1.48 -0.14 -0.21 0.00 1.08 0.00 0.00 40.66 42.87 2jr2 h LEU 69 CO -0.25 0.54 0.52 -1.61 -1.08 0.00 0.00 178.44 176.57 2jr2 s GLU 70 N -5.66 3.63 0.00 1.13 2.02 -1.22 -4.58 118.70 114.01 2jr2 s GLU 70 Ca -0.13 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 52.74 2jr2 s GLU 70 Cb 0.10 -4.70 0.00 0.00 0.10 0.00 0.00 34.13 29.63 2jr2 s GLU 70 CO 0.75 -1.55 0.00 1.58 0.02 0.00 0.00 175.26 176.06 2jr2 n HIS 71 N 5.32 -1.77 0.00 1.61 -0.00 -1.25 -4.70 115.22 114.44 2jr2 n HIS 71 Ca 0.20 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.38 2jr2 n HIS 71 Cb 0.48 0.35 0.00 0.00 -0.12 0.00 0.00 29.99 30.70 2jr2 n HIS 71 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jr2 n HIS 72 N -2.10 0.00 0.00 1.57 -0.00 -1.26 -4.33 115.22 109.10 2jr2 n HIS 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jr2 n HIS 72 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jr2 n HIS 72 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jr2 n HIS 73 N 0.00 0.00 -2.90 1.57 -0.00 -1.26 -5.15 115.22 107.47 2jr2 n HIS 73 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jr2 n HIS 73 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2jr2 n HIS 73 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jr2 n HIS 74 N 0.00 -0.47 -0.04 1.57 -0.00 -1.26 -5.04 115.22 109.98 2jr2 n HIS 74 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 2jr2 n HIS 74 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 2jr2 n HIS 74 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jr2 n HIS 75 N 0.00 0.00 1.22 4.41 8.25 -1.26 -5.20 115.22 122.64 2jr2 n HIS 75 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 2jr2 n HIS 75 Cb 0.00 -0.46 0.29 0.00 1.12 0.00 0.00 29.99 30.94 2jr2 n HIS 75 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70