#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 4.03 -0.38 0.03 0.04 -1.26 -4.97 135.00 132.49 2jr2 s PRO 2 Ca 0.00 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.35 2jr2 s PRO 2 Cb 0.00 -4.10 0.11 0.00 0.04 0.00 0.00 34.50 30.55 2jr2 s PRO 2 CO 0.00 -1.06 0.14 0.42 0.04 0.00 0.00 177.00 176.54 2jr2 s ILE 3 N 4.74 1.61 0.20 0.56 -1.09 -1.26 -5.11 121.20 120.84 2jr2 s ILE 3 Ca 0.82 -2.19 0.05 0.00 -2.23 0.00 0.00 60.65 57.10 2jr2 s ILE 3 Cb -0.36 -2.17 -0.05 0.00 -1.58 0.00 0.00 42.46 38.30 2jr2 s ILE 3 CO 0.35 -0.73 -0.09 0.68 -1.23 0.00 0.00 174.94 173.93 2jr2 s VAL 4 N 0.87 1.35 -0.47 2.92 -7.23 -1.26 -4.97 120.40 111.62 2jr2 s VAL 4 Ca 0.13 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.05 2jr2 s VAL 4 Cb -0.21 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.66 2jr2 s VAL 4 CO -0.11 -0.55 0.61 -1.20 -0.31 0.00 0.00 175.10 173.54 2jr2 n SER 5 N -0.35 -7.91 0.08 4.85 7.64 -1.26 -4.95 113.62 111.73 2jr2 n SER 5 Ca -0.08 0.46 -0.02 0.00 1.01 0.00 0.00 58.87 60.23 2jr2 n SER 5 Cb 0.62 -5.33 -0.06 0.00 -1.01 0.00 0.00 64.21 58.42 2jr2 n SER 5 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2jr2 h LYS 6 N 1.82 0.00 -6.24 1.43 3.64 -2.06 -3.46 116.57 111.70 2jr2 h LYS 6 Ca -0.01 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.81 2jr2 h LYS 6 Cb 1.01 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2jr2 h LYS 6 CO 0.21 0.64 -0.29 1.52 -2.27 0.00 0.00 179.45 179.27 2jr2 s TYR 7 N -2.83 3.47 0.22 1.91 -0.85 -1.26 -5.10 117.35 112.91 2jr2 s TYR 7 Ca 0.01 0.52 0.05 0.00 -0.52 0.00 0.00 57.07 57.13 2jr2 s TYR 7 Cb 0.09 -1.99 -0.03 0.00 0.38 0.00 0.00 41.96 40.41 2jr2 s TYR 7 CO 0.79 0.38 0.32 0.45 -1.52 0.00 0.00 175.55 175.97 2jr2 s SER 8 N -2.73 6.21 0.16 -0.18 0.15 -1.26 -5.02 113.70 111.04 2jr2 s SER 8 Ca 0.41 0.05 -0.15 0.00 0.70 0.00 0.00 55.95 56.96 2jr2 s SER 8 Cb -0.12 -1.81 0.04 0.00 -1.71 0.00 0.00 66.02 62.42 2jr2 s SER 8 CO 0.26 -0.04 1.79 -1.13 1.20 0.00 0.00 173.24 175.32 2jr2 h ASN 9 N 1.45 0.57 -0.32 5.45 -1.24 -1.99 -1.89 115.58 117.62 2jr2 h ASN 9 Ca -0.51 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 56.43 2jr2 h ASN 9 Cb 1.22 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 40.11 2jr2 h ASN 9 CO 0.63 0.47 0.18 -0.33 -1.29 0.00 0.00 177.43 177.08 2jr2 h GLU 10 N 0.62 0.47 -0.33 6.67 3.07 -1.99 -1.02 114.58 122.08 2jr2 h GLU 10 Ca 0.17 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 2jr2 h GLU 10 Cb 0.01 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 2jr2 h GLU 10 CO -0.03 0.36 -0.08 -0.09 -1.40 0.00 0.00 179.01 177.77 2jr2 h ARG 11 N 0.48 0.63 -0.18 2.33 2.43 -1.80 -1.16 114.38 117.10 2jr2 h ARG 11 Ca 0.12 -0.24 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2jr2 h ARG 11 Cb 0.03 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2jr2 h ARG 11 CO -0.02 0.80 -0.07 0.28 -1.51 0.00 0.00 179.97 179.46 2jr2 h VAL 12 N 0.41 0.77 -0.52 0.20 2.07 -0.51 -1.27 116.25 117.40 2jr2 h VAL 12 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 2jr2 h VAL 12 Cb 0.57 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2jr2 h VAL 12 CO 0.03 0.00 0.27 -0.33 0.02 0.00 0.00 177.57 177.56 2jr2 h GLU 13 N -0.04 0.51 -0.14 1.57 5.08 -1.13 -2.05 114.58 118.39 2jr2 h GLU 13 Ca 0.09 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2jr2 h GLU 13 Cb 0.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jr2 h GLU 13 CO -0.21 0.34 0.05 -0.22 -1.00 0.00 0.00 179.01 177.98 2jr2 h LYS 14 N 0.53 0.12 -0.58 2.33 3.64 -0.75 -0.94 116.57 120.91 2jr2 h LYS 14 Ca 0.22 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2jr2 h LYS 14 Cb 0.12 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2jr2 h LYS 14 CO -0.15 0.08 0.38 0.82 -2.27 0.00 0.00 179.45 178.31 2jr2 h ILE 15 N 0.13 1.12 -0.30 2.00 2.04 -1.00 0.11 117.51 121.61 2jr2 h ILE 15 Ca 0.06 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.67 2jr2 h ILE 15 Cb 0.02 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2jr2 h ILE 15 CO -0.05 0.14 0.18 0.40 0.00 0.00 0.00 178.15 178.81 2jr2 h ILE 16 N 0.76 1.04 -0.69 -0.67 2.04 -1.07 -0.30 117.51 118.62 2jr2 h ILE 16 Ca 0.22 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 2jr2 h ILE 16 Cb -0.05 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2jr2 h ILE 16 CO -0.07 0.07 0.18 -0.61 0.00 0.00 0.00 178.15 177.72 2jr2 h GLN 17 N 0.37 1.09 -0.22 2.37 5.75 -0.66 -0.24 115.11 123.56 2jr2 h GLN 17 Ca 0.11 -0.25 -0.12 0.00 -0.15 0.00 0.00 58.65 58.25 2jr2 h GLN 17 Cb -0.01 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 2jr2 h GLN 17 CO -0.05 0.95 -0.35 0.22 -2.65 0.00 0.00 178.83 176.95 2jr2 h ASP 18 N 1.03 0.49 -0.13 -0.69 3.58 -0.44 0.29 116.42 120.56 2jr2 h ASP 18 Ca 0.22 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2jr2 h ASP 18 Cb 0.35 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 2jr2 h ASP 18 CO -0.00 0.81 -0.01 -0.07 -2.88 0.00 0.00 179.24 177.09 2jr2 h LEU 19 N 0.40 0.22 -1.95 2.28 3.38 -0.72 -2.06 115.31 116.85 2jr2 h LEU 19 Ca 0.04 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2jr2 h LEU 19 Cb 0.81 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2jr2 h LEU 19 CO 0.07 0.49 -0.08 -0.07 0.09 0.00 0.00 178.44 178.94 2jr2 h LEU 20 N -0.05 0.00 -0.60 1.67 3.38 -0.76 -1.32 115.31 117.62 2jr2 h LEU 20 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2jr2 h LEU 20 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2jr2 h LEU 20 CO 0.01 0.08 -0.30 -0.78 0.09 0.00 0.00 178.44 177.53 2jr2 h ASP 21 N 0.00 0.81 -0.76 -0.43 1.82 -0.15 -0.31 116.42 117.39 2jr2 h ASP 21 Ca -0.00 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.31 2jr2 h ASP 21 Cb 0.16 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 39.90 2jr2 h ASP 21 CO 0.01 1.05 0.47 0.58 -1.61 0.00 0.00 179.24 179.75 2jr2 h VAL 22 N 0.66 1.21 -0.16 2.25 2.07 -0.54 0.41 116.25 122.14 2jr2 h VAL 22 Ca 0.07 -0.44 -0.13 0.00 0.82 0.00 0.00 66.70 67.03 2jr2 h VAL 22 Cb 0.84 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2jr2 h VAL 22 CO 0.07 0.21 -0.46 -0.07 0.02 0.00 0.00 177.57 177.35 2jr2 h LEU 23 N 1.05 0.44 0.00 2.57 3.38 -1.00 -2.86 115.31 118.89 2jr2 h LEU 23 Ca 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2jr2 h LEU 23 Cb -0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2jr2 h LEU 23 CO -0.05 0.84 -0.35 1.62 0.09 0.00 0.00 178.44 180.58 2jr2 h VAL 24 N 0.33 0.16 -1.01 1.22 3.04 -0.34 0.17 116.25 119.83 2jr2 h VAL 24 Ca 0.02 -1.24 0.05 0.00 -1.01 0.00 0.00 66.70 64.53 2jr2 h VAL 24 Cb 0.94 1.97 -0.06 0.00 -2.01 0.00 0.00 31.29 32.12 2jr2 h VAL 24 CO 0.08 0.09 0.65 0.11 -1.01 0.00 0.00 177.57 177.49 2jr2 h LYS 25 N 0.00 1.18 0.00 4.17 1.57 0.01 -3.12 116.57 120.39 2jr2 h LYS 25 Ca -0.01 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.51 2jr2 h LYS 25 Cb 1.09 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 2jr2 h LYS 25 CO 0.01 0.78 -1.93 0.39 -0.57 0.00 0.00 179.45 178.14 2jr2 n GLU 26 N -4.47 0.66 -3.29 3.15 -0.58 -1.15 -5.01 120.64 109.94 2jr2 n GLU 26 Ca 0.15 0.02 -0.16 0.00 -0.42 0.00 0.00 57.16 56.75 2jr2 n GLU 26 Cb 0.15 -1.62 0.07 0.00 -0.57 0.00 0.00 31.44 29.46 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 -2.66 -2.32 -2.39 3.49 1.02 0.57 -4.99 120.64 113.35 2jr2 n GLU 27 Ca -0.16 0.84 -0.32 0.00 -0.02 0.00 0.00 57.16 57.49 2jr2 n GLU 27 Cb 0.88 -5.72 -0.03 0.00 -0.02 0.00 0.00 31.44 26.55 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 -3.40 4.40 0.59 2.62 -7.23 -1.06 -5.05 120.40 111.28 2jr2 s VAL 28 Ca 0.45 1.19 -0.13 0.00 -1.81 0.00 0.00 61.98 61.68 2jr2 s VAL 28 Cb -0.07 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.17 2jr2 s VAL 28 CO 0.75 -0.62 1.02 0.42 -0.31 0.00 0.00 175.10 176.36 2jr2 s THR 29 N -2.55 4.52 0.27 5.32 -4.23 -1.26 -4.82 115.64 112.90 2jr2 s THR 29 Ca 0.60 0.97 0.01 0.00 -1.18 0.00 0.00 61.69 62.09 2jr2 s THR 29 Cb -0.11 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 70.25 2jr2 s THR 29 CO 0.30 -0.92 1.75 -0.65 -0.54 0.00 0.00 174.62 174.56 2jr2 h PRO 30 N 0.10 0.59 0.11 3.99 0.11 -1.98 0.37 132.00 135.29 2jr2 h PRO 30 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jr2 h PRO 30 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2jr2 h PRO 30 CO 0.61 0.39 -0.08 0.22 -0.21 0.00 0.00 178.00 178.93 2jr2 h ASP 31 N 0.61 -0.22 -0.51 -2.05 3.58 -2.00 -0.98 116.42 114.86 2jr2 h ASP 31 Ca 0.49 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.88 2jr2 h ASP 31 Cb 0.75 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 2jr2 h ASP 31 CO -0.39 -0.14 0.02 0.25 -2.88 0.00 0.00 179.24 176.10 2jr2 h LEU 32 N -0.20 0.87 0.34 2.28 5.85 -1.71 -2.54 115.31 120.20 2jr2 h LEU 32 Ca -0.00 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2jr2 h LEU 32 Cb 0.18 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2jr2 h LEU 32 CO -0.01 0.95 -0.25 0.00 -0.34 0.00 0.00 178.44 178.79 2jr2 h ALA 33 N 0.95 -0.58 -0.51 1.25 0.00 -0.15 -1.22 119.26 119.00 2jr2 h ALA 33 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2jr2 h ALA 33 Cb 0.49 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2jr2 h ALA 33 CO 0.02 -0.85 0.24 -0.07 0.00 0.00 0.00 179.25 178.59 2jr2 h LEU 34 N -0.59 0.64 -0.38 0.00 3.38 -1.17 0.25 115.31 117.43 2jr2 h LEU 34 Ca -0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2jr2 h LEU 34 Cb 0.51 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2jr2 h LEU 34 CO 0.00 0.55 -0.02 -0.03 0.09 0.00 0.00 178.44 179.03 2jr2 h MET 35 N 0.71 0.68 -0.19 1.13 4.05 -1.17 0.35 114.93 120.50 2jr2 h MET 35 Ca 0.18 -0.23 -0.15 0.00 -0.28 0.00 0.00 59.70 59.22 2jr2 h MET 35 Cb 0.08 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2jr2 h MET 35 CO -0.02 0.80 -0.46 0.00 0.23 0.00 0.00 176.91 177.45 2jr2 h LEU 37 N 0.32 0.65 -0.68 0.00 3.38 -0.47 -2.49 115.31 116.02 2jr2 h LEU 37 Ca -0.01 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2jr2 h LEU 37 Cb 1.08 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 2jr2 h LEU 37 CO 0.10 0.53 0.39 1.23 0.09 0.00 0.00 178.44 180.78 2jr2 h GLY 38 N 0.72 1.00 1.14 0.83 0.00 -0.95 -0.96 103.07 104.85 2jr2 h GLY 38 Ca 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 2jr2 h GLY 38 CO -0.03 0.18 0.35 3.43 0.00 0.00 0.00 176.54 180.47 2jr2 h ASN 39 N 0.72 1.00 -0.53 0.19 2.35 -1.39 -0.29 115.58 117.63 2jr2 h ASN 39 Ca 0.30 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 2jr2 h ASN 39 Cb 0.17 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2jr2 h ASN 39 CO -0.17 0.86 0.04 0.00 -1.65 0.00 0.00 177.43 176.51 2jr2 h ALA 40 N 1.29 1.00 -0.03 -0.83 0.00 -0.91 -1.13 119.26 118.65 2jr2 h ALA 40 Ca 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jr2 h ALA 40 Cb 0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jr2 h ALA 40 CO -0.03 0.62 -0.01 0.28 0.00 0.00 0.00 179.25 180.12 2jr2 h VAL 41 N 0.89 1.29 -0.29 0.00 2.07 -0.65 -2.98 116.25 116.58 2jr2 h VAL 41 Ca 0.17 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2jr2 h VAL 41 Cb 0.46 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2jr2 h VAL 41 CO 0.02 0.23 0.12 0.74 0.02 0.00 0.00 177.57 178.70 2jr2 h THR 42 N -0.29 1.12 -0.00 2.57 2.02 -0.97 -0.38 112.91 116.96 2jr2 h THR 42 Ca 0.01 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 2jr2 h THR 42 Cb 0.37 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2jr2 h THR 42 CO 0.00 0.14 -0.15 -1.13 0.37 0.00 0.00 175.52 174.75 2jr2 h ASN 43 N 0.41 0.00 0.17 4.18 -1.24 -1.11 0.51 115.58 118.49 2jr2 h ASN 43 Ca 0.10 -0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.85 2jr2 h ASN 43 Cb 0.08 -0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.15 2jr2 h ASN 43 CO -0.01 0.15 -1.25 0.40 -1.29 0.00 0.00 177.43 175.43 2jr2 h ILE 44 N 0.00 1.25 -0.20 2.57 1.08 -0.98 -3.34 117.51 117.89 2jr2 h ILE 44 Ca -0.00 -2.54 -0.05 0.00 -0.39 0.00 0.00 64.86 61.88 2jr2 h ILE 44 Cb 0.27 2.98 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 2jr2 h ILE 44 CO 0.02 0.75 -0.11 0.40 -0.69 0.00 0.00 178.15 178.52 2jr2 h ILE 45 N -0.17 1.19 0.00 -0.67 2.04 -0.81 -1.97 117.51 117.12 2jr2 h ILE 45 Ca -0.24 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 64.79 2jr2 h ILE 45 Cb 1.86 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 2jr2 h ILE 45 CO 0.16 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.58 2jr2 n ALA 46 N -2.49 1.45 1.19 1.87 0.00 0.14 -1.32 120.51 121.35 2jr2 n ALA 46 Ca -0.00 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.56 2jr2 n ALA 46 Cb 0.28 -1.20 0.32 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.63 0.75 -3.34 0.00 6.02 -0.74 -4.87 117.38 113.57 2jr2 n GLN 47 Ca 0.02 -0.46 -0.38 0.00 -0.01 0.00 0.00 57.00 56.16 2jr2 n GLN 47 Cb 0.12 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.83 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 -2.57 4.82 0.55 5.09 1.01 -0.43 -5.06 120.40 123.80 2jr2 s VAL 48 Ca 0.22 1.12 -0.20 0.00 0.00 0.00 0.00 61.98 63.11 2jr2 s VAL 48 Cb 0.19 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2jr2 s VAL 48 CO 0.55 0.56 1.25 -2.84 0.00 0.00 0.00 175.10 174.62 2jr2 s PRO 49 N -1.10 3.17 0.61 2.72 0.02 -1.26 -4.65 135.00 134.51 2jr2 s PRO 49 Ca 0.28 1.94 0.40 0.00 0.02 0.00 0.00 61.00 63.64 2jr2 s PRO 49 Cb -0.19 -2.12 2.20 0.00 0.02 0.00 0.00 34.50 34.41 2jr2 s PRO 49 CO 0.17 -1.08 2.24 1.49 -0.33 0.00 0.00 177.00 179.50 2jr2 h GLU 50 N 1.29 0.00 -0.19 5.54 4.57 -1.97 0.61 114.58 124.43 2jr2 h GLU 50 Ca -0.50 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.64 2jr2 h GLU 50 Cb 1.29 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 2jr2 h GLU 50 CO 0.57 0.00 -0.05 1.03 -1.18 0.00 0.00 179.01 179.38 2jr2 h SER 51 N 0.00 0.27 0.00 1.04 0.87 -2.04 -3.26 113.55 110.43 2jr2 h SER 51 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2jr2 h SER 51 Cb 0.03 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2jr2 h SER 51 CO 0.00 0.37 0.00 2.29 -0.53 0.00 0.00 176.83 178.96 2jr2 n LYS 52 N -4.32 0.55 -0.12 2.24 0.00 -0.71 -4.78 118.16 111.02 2jr2 n LYS 52 Ca -0.00 -0.62 -0.07 0.00 -0.00 0.00 0.00 58.31 57.61 2jr2 n LYS 52 Cb 0.22 -0.63 0.09 0.00 -0.00 0.00 0.00 35.03 34.72 2jr2 n LYS 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2jr2 h ARG 53 N 0.00 0.85 -0.02 -1.58 2.43 -0.95 -0.16 114.38 114.95 2jr2 h ARG 53 Ca 0.00 -0.30 -0.15 0.00 -0.81 0.00 0.00 59.98 58.72 2jr2 h ARG 53 Cb 0.76 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2jr2 h ARG 53 CO 0.00 0.92 -0.67 0.28 -1.51 0.00 0.00 179.97 178.99 2jr2 h VAL 54 N 0.76 1.45 -0.24 0.20 2.07 -1.84 -3.07 116.25 115.58 2jr2 h VAL 54 Ca 0.12 -2.23 -0.09 0.00 0.82 0.00 0.00 66.70 65.33 2jr2 h VAL 54 Cb 0.63 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2jr2 h VAL 54 CO 0.04 0.65 -0.19 0.00 0.02 0.00 0.00 177.57 178.09 2jr2 h ALA 55 N 1.24 0.35 -0.43 1.67 0.00 -1.74 -1.87 119.26 118.48 2jr2 h ALA 55 Ca -0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2jr2 h ALA 55 Cb 1.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2jr2 h ALA 55 CO 0.10 0.27 -0.18 -0.39 0.00 0.00 0.00 179.25 179.05 2jr2 h VAL 56 N 0.26 1.27 0.00 0.00 -1.51 -1.07 0.62 116.25 115.82 2jr2 h VAL 56 Ca 0.04 -1.29 -0.13 0.00 -1.23 0.00 0.00 66.70 64.09 2jr2 h VAL 56 Cb 0.73 1.13 -0.02 0.00 -2.13 0.00 0.00 31.29 31.00 2jr2 h VAL 56 CO 0.05 0.44 -0.64 1.62 -1.23 0.00 0.00 177.57 177.81 2jr2 h VAL 57 N 0.73 1.38 0.12 7.19 3.04 -1.57 -0.08 116.25 127.06 2jr2 h VAL 57 Ca 0.11 -2.26 -0.01 0.00 -1.01 0.00 0.00 66.70 63.54 2jr2 h VAL 57 Cb 0.70 2.24 0.00 0.00 -2.01 0.00 0.00 31.29 32.22 2jr2 h VAL 57 CO 0.05 0.63 -0.06 -0.78 -1.01 0.00 0.00 177.57 176.40 2jr2 h ASP 58 N 0.00 -0.14 -0.74 3.17 3.58 -0.88 0.08 116.42 121.49 2jr2 h ASP 58 Ca -0.01 -0.33 -0.00 0.00 0.42 0.00 0.00 57.03 57.12 2jr2 h ASP 58 Cb 1.19 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.24 2jr2 h ASP 58 CO 0.08 0.27 0.46 0.78 -2.88 0.00 0.00 179.24 177.96 2jr2 h ASN 59 N -0.58 0.89 0.76 2.28 2.35 -0.89 0.39 115.58 120.77 2jr2 h ASN 59 Ca -0.02 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2jr2 h ASN 59 Cb 0.46 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2jr2 h ASN 59 CO 0.03 0.68 -0.50 0.15 -1.65 0.00 0.00 177.43 176.14 2jr2 h PHE 60 N 1.03 -1.34 -0.42 1.19 3.57 -0.91 -0.39 116.94 119.68 2jr2 h PHE 60 Ca 0.27 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 2jr2 h PHE 60 Cb -0.06 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2jr2 h PHE 60 CO 0.00 -0.73 -0.10 1.79 -2.23 0.00 0.00 178.31 177.05 2jr2 h THR 61 N -1.18 1.25 0.60 4.41 1.35 -0.71 0.20 112.91 118.84 2jr2 h THR 61 Ca -0.10 -1.13 -0.03 0.00 -0.55 0.00 0.00 66.41 64.60 2jr2 h THR 61 Cb 0.96 1.03 0.01 0.00 -1.73 0.00 0.00 68.15 68.42 2jr2 h THR 61 CO 0.08 0.38 -0.29 0.50 -0.25 0.00 0.00 175.52 175.94 2jr2 h LYS 62 N 0.68 -0.78 -0.01 4.72 1.63 -0.17 -2.31 116.57 120.32 2jr2 h LYS 62 Ca 0.12 0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.85 2jr2 h LYS 62 Cb 0.56 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 2jr2 h LYS 62 CO 0.03 -0.51 -0.55 0.00 -3.45 0.00 0.00 179.45 174.97 2jr2 h ALA 63 N -0.44 1.06 -0.24 5.00 0.00 -0.97 -2.51 119.26 121.17 2jr2 h ALA 63 Ca -0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2jr2 h ALA 63 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jr2 h ALA 63 CO 0.14 0.69 0.11 1.25 0.00 0.00 0.00 179.25 181.44 2jr2 h LEU 64 N 0.03 0.31 -1.02 0.00 6.46 -0.91 -1.64 115.31 118.54 2jr2 h LEU 64 Ca -0.00 -0.13 -0.09 0.00 -0.12 0.00 0.00 57.88 57.54 2jr2 h LEU 64 Cb 0.98 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 2jr2 h LEU 64 CO 0.07 0.35 -0.24 0.11 -0.62 0.00 0.00 178.44 178.11 2jr2 h LYS 65 N 0.25 0.41 0.00 1.25 1.57 -1.30 -1.18 116.57 117.58 2jr2 h LYS 65 Ca 0.08 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2jr2 h LYS 65 Cb 0.12 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2jr2 h LYS 65 CO -0.01 0.63 -0.13 1.96 -0.57 0.00 0.00 179.45 181.33 2jr2 h GLN 66 N 0.37 0.00 0.00 3.15 4.20 -1.07 0.23 115.11 121.99 2jr2 h GLN 66 Ca 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2jr2 h GLN 66 Cb 0.63 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 2jr2 h GLN 66 CO 0.04 0.13 -0.82 0.77 -0.67 0.00 0.00 178.83 178.28 2jr2 h SER 67 N 0.00 0.00 0.07 1.46 0.02 -0.46 -3.34 113.55 111.30 2jr2 h SER 67 Ca -0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.58 2jr2 h SER 67 Cb 0.25 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 2jr2 h SER 67 CO 0.02 0.07 -2.09 0.52 -1.14 0.00 0.00 176.83 174.20 2jr2 n VAL 68 N -2.80 1.66 -0.09 2.27 0.31 -0.53 -3.53 118.33 115.62 2jr2 n VAL 68 Ca -0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2jr2 n VAL 68 Cb 0.58 -1.69 0.29 0.00 -0.91 0.00 0.00 33.84 32.11 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 -0.14 0.65 0.00 7.52 4.07 -0.74 -3.39 115.31 123.28 2jr2 h LEU 69 Ca -0.48 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.41 2jr2 h LEU 69 Cb 1.89 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 43.46 2jr2 h LEU 69 CO -0.03 0.57 0.00 1.21 -1.08 0.00 0.00 178.44 179.11 2jr2 n GLU 70 N -4.36 0.00 0.00 1.13 2.13 -1.25 -4.88 120.64 113.40 2jr2 n GLU 70 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2jr2 n GLU 70 Cb 0.14 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.85 2jr2 n GLU 70 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2jr2 n HIS 71 N 0.00 0.00 -1.63 4.31 -0.00 -1.23 -4.77 115.22 111.90 2jr2 n HIS 71 Ca 0.00 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 57.74 2jr2 n HIS 71 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 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 0.00 2.27 0.00 1.57 -0.00 -1.26 -4.91 115.22 112.88 2jr2 n HIS 72 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.72 57.51 2jr2 n HIS 72 Cb 0.00 -2.75 0.00 0.00 -0.00 0.00 0.00 29.99 27.24 2jr2 n HIS 72 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jr2 n HIS 73 N 8.84 0.00 -3.56 1.57 -0.00 -1.26 -5.07 115.22 115.73 2jr2 n HIS 73 Ca 0.25 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.80 2jr2 n HIS 73 Cb 0.39 -0.19 -0.06 0.00 -0.00 0.00 0.00 29.99 30.13 2jr2 n HIS 73 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jr2 s HIS 74 N -0.93 -0.63 0.41 4.41 -3.43 -1.26 -5.15 115.29 108.70 2jr2 s HIS 74 Ca 0.00 1.18 -0.01 0.00 -0.80 0.00 0.00 55.06 55.43 2jr2 s HIS 74 Cb 0.00 0.35 -0.02 0.00 -1.43 0.00 0.00 32.58 31.48 2jr2 s HIS 74 CO 0.00 -0.55 0.64 -3.38 -2.00 0.00 0.00 174.74 169.45 2jr2 s HIS 75 N -0.93 3.42 0.00 0.38 -3.43 -1.26 -5.31 115.29 108.17 2jr2 s HIS 75 Ca -0.09 0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 2jr2 s HIS 75 Cb -0.01 -2.12 0.00 0.00 -1.43 0.00 0.00 32.58 29.02 2jr2 s HIS 75 CO 0.08 -0.12 0.00 1.58 -2.00 0.00 0.00 174.74 174.28