#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 2.76 -0.32 0.03 0.04 -1.26 -4.96 135.00 131.29 2jr2 s PRO 2 Ca 0.00 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 61.42 2jr2 s PRO 2 Cb 0.00 -4.34 -0.02 0.00 0.04 0.00 0.00 34.50 30.18 2jr2 s PRO 2 CO 0.00 -2.59 0.20 0.42 0.04 0.00 0.00 177.00 175.07 2jr2 s ILE 3 N 8.38 5.01 -0.71 0.56 1.01 -1.26 -5.03 121.20 129.17 2jr2 s ILE 3 Ca 0.62 -0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.78 2jr2 s ILE 3 Cb -0.12 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.82 2jr2 s ILE 3 CO 0.20 0.07 1.55 -0.69 0.00 0.00 0.00 174.94 176.07 2jr2 s VAL 4 N 1.69 3.57 0.40 2.92 1.01 -1.26 -4.97 120.40 123.76 2jr2 s VAL 4 Ca 0.06 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.35 2jr2 s VAL 4 Cb -0.17 -4.50 -0.06 0.00 0.00 0.00 0.00 36.38 31.66 2jr2 s VAL 4 CO 0.09 -1.45 0.13 -0.55 0.00 0.00 0.00 175.10 173.32 2jr2 s SER 5 N 5.73 4.32 0.13 3.32 0.15 -1.26 -5.04 113.70 121.05 2jr2 s SER 5 Ca 0.50 -1.09 0.15 0.00 0.70 0.00 0.00 55.95 56.21 2jr2 s SER 5 Cb -0.09 -0.49 -0.08 0.00 -1.71 0.00 0.00 66.02 63.65 2jr2 s SER 5 CO 0.15 -0.47 1.05 0.50 1.20 0.00 0.00 173.24 175.68 2jr2 h LYS 6 N 1.54 0.00 -6.37 5.44 3.64 -2.08 -3.46 116.57 115.27 2jr2 h LYS 6 Ca -0.43 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.40 2jr2 h LYS 6 Cb 1.25 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 2jr2 h LYS 6 CO 0.71 0.41 -0.07 1.52 -2.27 0.00 0.00 179.45 179.75 2jr2 s TYR 7 N -2.91 3.57 0.53 1.91 -0.85 -1.26 -5.09 117.35 113.25 2jr2 s TYR 7 Ca -0.00 1.06 0.05 0.00 -0.52 0.00 0.00 57.07 57.65 2jr2 s TYR 7 Cb 0.08 -2.38 0.02 0.00 0.38 0.00 0.00 41.96 40.07 2jr2 s TYR 7 CO 0.79 0.38 0.31 -1.54 -1.52 0.00 0.00 175.55 173.97 2jr2 s SER 8 N -1.83 4.52 0.45 -0.18 1.04 -1.26 -5.01 113.70 111.42 2jr2 s SER 8 Ca 0.40 -1.32 0.14 0.00 0.48 0.00 0.00 55.95 55.65 2jr2 s SER 8 Cb -0.14 0.38 1.00 0.00 0.10 0.00 0.00 66.02 67.36 2jr2 s SER 8 CO 0.19 -1.02 2.00 0.78 0.98 0.00 0.00 173.24 176.18 2jr2 h ASN 9 N 0.91 0.05 -0.65 7.02 2.35 -1.99 -2.02 115.58 121.25 2jr2 h ASN 9 Ca -0.39 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 2jr2 h ASN 9 Cb 1.30 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.63 2jr2 h ASN 9 CO 0.61 0.19 0.38 -0.33 -1.65 0.00 0.00 177.43 176.63 2jr2 h GLU 10 N 0.06 0.90 -0.15 0.81 5.08 -1.99 -0.30 114.58 118.99 2jr2 h GLU 10 Ca 0.01 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 2jr2 h GLU 10 Cb 0.27 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2jr2 h GLU 10 CO 0.02 0.66 -0.47 -0.09 -1.00 0.00 0.00 179.01 178.13 2jr2 h ARG 11 N 0.89 0.36 0.02 2.33 2.43 -1.78 -1.12 114.38 117.51 2jr2 h ARG 11 Ca 0.23 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2jr2 h ARG 11 Cb 0.01 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2jr2 h ARG 11 CO -0.04 0.76 -0.01 0.28 -1.51 0.00 0.00 179.97 179.45 2jr2 h VAL 12 N 0.29 1.05 -0.99 0.20 2.07 -0.93 -1.12 116.25 116.82 2jr2 h VAL 12 Ca 0.02 -0.19 0.11 0.00 0.82 0.00 0.00 66.70 67.46 2jr2 h VAL 12 Cb 0.93 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.80 2jr2 h VAL 12 CO 0.08 0.05 0.63 -0.33 0.02 0.00 0.00 177.57 178.02 2jr2 h GLU 13 N -0.10 0.99 -0.13 1.57 4.39 -0.86 -0.92 114.58 119.51 2jr2 h GLU 13 Ca -0.00 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.65 2jr2 h GLU 13 Cb 0.10 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2jr2 h GLU 13 CO 0.00 0.65 0.05 -0.22 -1.16 0.00 0.00 179.01 178.34 2jr2 h LYS 14 N 1.02 0.12 -0.51 2.33 3.64 -0.71 0.10 116.57 122.56 2jr2 h LYS 14 Ca 0.48 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.81 2jr2 h LYS 14 Cb 0.42 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2jr2 h LYS 14 CO -0.24 0.08 0.16 0.82 -2.27 0.00 0.00 179.45 178.01 2jr2 h ILE 15 N 0.13 1.23 -0.93 2.00 2.04 -0.52 0.39 117.51 121.85 2jr2 h ILE 15 Ca 0.05 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 2jr2 h ILE 15 Cb 0.02 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 2jr2 h ILE 15 CO -0.05 0.28 0.56 0.40 0.00 0.00 0.00 178.15 179.34 2jr2 h ILE 16 N 0.69 1.26 -0.53 -0.67 2.04 -1.02 -0.14 117.51 119.13 2jr2 h ILE 16 Ca 0.16 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 2jr2 h ILE 16 Cb 0.27 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 2jr2 h ILE 16 CO -0.01 0.27 0.05 -0.61 0.00 0.00 0.00 178.15 177.86 2jr2 h GLN 17 N 1.29 0.90 -0.42 2.37 5.75 -0.19 0.99 115.11 125.80 2jr2 h GLN 17 Ca 0.33 -0.26 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 2jr2 h GLN 17 Cb -0.05 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2jr2 h GLN 17 CO -0.06 0.90 -0.16 0.22 -2.65 0.00 0.00 178.83 177.08 2jr2 h ASP 18 N 0.78 0.80 0.13 -0.69 3.58 -0.49 0.33 116.42 120.85 2jr2 h ASP 18 Ca 0.16 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 2jr2 h ASP 18 Cb 0.46 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2jr2 h ASP 18 CO 0.02 0.96 -0.06 -0.07 -2.88 0.00 0.00 179.24 177.21 2jr2 h LEU 19 N 0.71 -0.14 -1.73 2.28 3.38 -0.79 -2.52 115.31 116.49 2jr2 h LEU 19 Ca 0.11 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2jr2 h LEU 19 Cb 0.66 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2jr2 h LEU 19 CO 0.05 0.07 -0.17 -0.07 0.09 0.00 0.00 178.44 178.40 2jr2 h LEU 20 N -0.35 0.00 -0.25 1.67 3.38 -0.64 -2.44 115.31 116.67 2jr2 h LEU 20 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2jr2 h LEU 20 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2jr2 h LEU 20 CO 0.03 0.17 0.11 -0.78 0.09 0.00 0.00 178.44 178.06 2jr2 h ASP 21 N 0.00 0.34 -0.47 -0.43 3.58 -0.11 -0.74 116.42 118.59 2jr2 h ASP 21 Ca -0.00 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2jr2 h ASP 21 Cb 0.36 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2jr2 h ASP 21 CO 0.02 0.39 0.31 0.58 -2.88 0.00 0.00 179.24 177.65 2jr2 h VAL 22 N 0.27 1.13 -0.77 2.25 2.07 -1.02 0.31 116.25 120.49 2jr2 h VAL 22 Ca 0.09 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2jr2 h VAL 22 Cb 0.14 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2jr2 h VAL 22 CO -0.01 0.13 0.48 -0.07 0.02 0.00 0.00 177.57 178.11 2jr2 h LEU 23 N 0.64 0.92 0.06 2.57 3.38 -1.15 -1.35 115.31 120.37 2jr2 h LEU 23 Ca 0.17 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.84 2jr2 h LEU 23 Cb -0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2jr2 h LEU 23 CO -0.04 0.70 -1.15 0.58 0.09 0.00 0.00 178.44 178.62 2jr2 h VAL 24 N 1.05 1.57 -0.48 1.22 2.07 -0.98 -1.44 116.25 119.26 2jr2 h VAL 24 Ca 0.28 -3.22 0.08 0.00 0.82 0.00 0.00 66.70 64.65 2jr2 h VAL 24 Cb -0.06 2.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.52 2jr2 h VAL 24 CO -0.05 0.92 0.12 0.50 0.02 0.00 0.00 177.57 179.08 2jr2 h LYS 25 N 0.03 0.26 -0.01 1.57 3.64 -0.01 -0.57 116.57 121.49 2jr2 h LYS 25 Ca -0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2jr2 h LYS 25 Cb 1.87 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 2jr2 h LYS 25 CO 0.16 0.17 -0.23 0.39 -2.27 0.00 0.00 179.45 177.67 2jr2 n GLU 26 N -5.08 0.71 -4.06 1.90 -0.58 -0.54 -4.95 120.64 108.04 2jr2 n GLU 26 Ca 0.05 -0.37 -0.40 0.00 -0.42 0.00 0.00 57.16 56.02 2jr2 n GLU 26 Cb 0.22 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2jr2 n GLU 26 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2jr2 n GLU 27 N -0.82 -0.39 -1.46 3.49 0.28 -0.22 -4.91 120.64 116.61 2jr2 n GLU 27 Ca 0.12 -0.01 -0.30 0.00 -0.16 0.00 0.00 57.16 56.81 2jr2 n GLU 27 Cb 0.33 -2.19 0.08 0.00 1.43 0.00 0.00 31.44 31.09 2jr2 n GLU 27 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2jr2 s VAL 28 N -3.79 3.41 0.49 3.84 -7.23 -0.87 -5.03 120.40 111.22 2jr2 s VAL 28 Ca 0.37 0.46 -0.06 0.00 -1.81 0.00 0.00 61.98 60.94 2jr2 s VAL 28 Cb -0.21 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 2jr2 s VAL 28 CO 0.86 -0.60 0.80 0.42 -0.31 0.00 0.00 175.10 176.27 2jr2 s THR 29 N -3.04 4.89 0.21 5.32 -4.23 -1.26 -4.85 115.64 112.68 2jr2 s THR 29 Ca 0.60 0.26 -0.11 0.00 -1.18 0.00 0.00 61.69 61.25 2jr2 s THR 29 Cb -0.15 -3.86 0.19 0.00 1.34 0.00 0.00 72.50 70.02 2jr2 s THR 29 CO 0.55 -0.85 1.66 -0.65 -0.54 0.00 0.00 174.62 174.79 2jr2 h PRO 30 N 0.24 0.09 -0.11 3.99 0.11 -1.98 0.26 132.00 134.59 2jr2 h PRO 30 Ca -0.47 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.67 2jr2 h PRO 30 Cb 1.20 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2jr2 h PRO 30 CO 0.62 0.06 -0.08 -0.44 -0.21 0.00 0.00 178.00 177.95 2jr2 h ASP 31 N 0.10 -0.25 -0.30 -2.05 3.32 -1.99 -0.75 116.42 114.49 2jr2 h ASP 31 Ca 0.31 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 2jr2 h ASP 31 Cb 0.50 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2jr2 h ASP 31 CO -0.53 -0.11 0.13 0.25 -1.72 0.00 0.00 179.24 177.26 2jr2 h LEU 32 N -0.08 0.41 0.26 1.55 5.85 -1.69 -1.72 115.31 119.88 2jr2 h LEU 32 Ca 0.07 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2jr2 h LEU 32 Cb 0.19 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2jr2 h LEU 32 CO -0.16 0.44 -0.18 0.00 -0.34 0.00 0.00 178.44 178.20 2jr2 h ALA 33 N 0.98 -0.41 -0.62 1.25 0.00 -0.32 -1.53 119.26 118.61 2jr2 h ALA 33 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jr2 h ALA 33 Cb 0.16 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2jr2 h ALA 33 CO -0.01 -0.75 0.37 -0.07 0.00 0.00 0.00 179.25 178.80 2jr2 h LEU 34 N -0.43 0.74 -0.69 0.00 3.38 -1.08 0.16 115.31 117.39 2jr2 h LEU 34 Ca -0.02 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2jr2 h LEU 34 Cb 0.37 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2jr2 h LEU 34 CO 0.01 0.58 0.16 -0.03 0.09 0.00 0.00 178.44 179.25 2jr2 h MET 35 N 0.84 1.11 -0.12 1.13 4.05 -1.19 0.22 114.93 120.97 2jr2 h MET 35 Ca 0.22 -0.27 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 2jr2 h MET 35 Cb -0.03 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.63 2jr2 h MET 35 CO -0.04 0.99 -0.07 0.00 0.23 0.00 0.00 176.91 178.02 2jr2 h LEU 37 N -0.10 0.76 -0.69 0.00 3.38 -0.81 -1.75 115.31 116.10 2jr2 h LEU 37 Ca 0.03 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2jr2 h LEU 37 Cb 0.55 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2jr2 h LEU 37 CO 0.02 0.62 0.40 1.23 0.09 0.00 0.00 178.44 180.79 2jr2 h GLY 38 N 0.84 1.01 1.42 0.83 0.00 -0.56 0.83 103.07 107.45 2jr2 h GLY 38 Ca 0.22 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 2jr2 h GLY 38 CO -0.04 0.19 -0.36 3.43 0.00 0.00 0.00 176.54 179.76 2jr2 h ASN 39 N 0.74 0.67 -0.30 0.19 2.35 -1.24 -0.75 115.58 117.24 2jr2 h ASN 39 Ca 0.30 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2jr2 h ASN 39 Cb 0.16 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2jr2 h ASN 39 CO -0.17 0.97 0.14 0.00 -1.65 0.00 0.00 177.43 176.72 2jr2 h ALA 40 N 1.06 0.39 0.41 -0.83 0.00 -0.53 -0.54 119.26 119.22 2jr2 h ALA 40 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2jr2 h ALA 40 Cb 0.87 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2jr2 h ALA 40 CO 0.08 -0.03 -0.20 0.28 0.00 0.00 0.00 179.25 179.38 2jr2 h VAL 41 N 0.35 0.60 -0.95 0.00 2.07 -0.74 -2.90 116.25 114.69 2jr2 h VAL 41 Ca 0.10 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.62 2jr2 h VAL 41 Cb 0.14 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 2jr2 h VAL 41 CO -0.01 0.01 0.62 0.74 0.02 0.00 0.00 177.57 178.95 2jr2 h THR 42 N -0.58 1.07 -0.37 2.57 2.02 -1.06 -0.89 112.91 115.67 2jr2 h THR 42 Ca -0.06 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 2jr2 h THR 42 Cb 0.44 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 2jr2 h THR 42 CO 0.09 0.20 -0.16 -1.13 0.37 0.00 0.00 175.52 174.89 2jr2 h ASN 43 N 1.10 0.68 1.09 4.18 -1.24 -1.00 -2.03 115.58 118.35 2jr2 h ASN 43 Ca 0.41 -0.21 -0.14 0.00 0.71 0.00 0.00 56.30 57.07 2jr2 h ASN 43 Cb 0.19 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 2jr2 h ASN 43 CO -0.16 0.85 -0.96 -0.29 -1.29 0.00 0.00 177.43 175.58 2jr2 h ILE 44 N 0.61 0.75 -0.21 2.57 2.10 -1.20 -3.18 117.51 118.95 2jr2 h ILE 44 Ca 0.10 -2.20 -0.07 0.00 1.08 0.00 0.00 64.86 63.77 2jr2 h ILE 44 Cb 0.62 2.27 -0.01 0.00 -1.09 0.00 0.00 36.82 38.60 2jr2 h ILE 44 CO 0.04 0.43 -0.17 0.40 -1.08 0.00 0.00 178.15 177.78 2jr2 h ILE 45 N 0.00 1.22 0.00 2.19 2.04 -0.95 -1.80 117.51 120.21 2jr2 h ILE 45 Ca -0.08 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2jr2 h ILE 45 Cb 1.51 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2jr2 h ILE 45 CO 0.06 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.53 2jr2 n ALA 46 N -2.48 1.87 0.53 1.87 0.00 -0.78 -1.61 120.51 119.90 2jr2 n ALA 46 Ca -0.00 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.61 2jr2 n ALA 46 Cb 0.32 -1.41 0.27 0.00 0.00 0.00 0.00 19.45 18.63 2jr2 n ALA 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2jr2 h GLN 47 N 0.00 0.00 -6.55 0.00 4.20 -1.35 -3.45 115.11 107.96 2jr2 h GLN 47 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 2jr2 h GLN 47 Cb 0.49 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2jr2 h GLN 47 CO 0.00 0.00 0.31 0.08 -0.67 0.00 0.00 178.83 178.55 2jr2 s VAL 48 N -3.15 4.46 -0.12 -0.54 1.01 -0.64 -4.97 120.40 116.44 2jr2 s VAL 48 Ca 0.08 1.97 -0.40 0.00 0.00 0.00 0.00 61.98 63.63 2jr2 s VAL 48 Cb 0.12 -4.28 -0.18 0.00 0.00 0.00 0.00 36.38 32.04 2jr2 s VAL 48 CO 0.66 0.37 1.40 -2.65 0.00 0.00 0.00 175.10 174.88 2jr2 n PRO 49 N 2.48 0.63 -0.26 2.72 -0.02 -1.26 -4.51 135.00 134.77 2jr2 n PRO 49 Ca 0.00 0.23 0.22 0.00 -2.02 0.00 0.00 63.50 61.92 2jr2 n PRO 49 Cb 0.49 -1.81 0.54 0.00 -0.02 0.00 0.00 33.50 32.70 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 4.78 0.34 -0.94 -0.52 4.81 -1.92 0.28 114.58 121.41 2jr2 h GLU 50 Ca -0.48 -0.02 0.25 0.00 -0.13 0.00 0.00 59.36 58.98 2jr2 h GLU 50 Cb 1.36 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.61 2jr2 h GLU 50 CO 0.82 0.22 0.65 1.03 -0.73 0.00 0.00 179.01 181.00 2jr2 h SER 51 N 0.35 0.19 0.00 1.04 0.87 -2.02 -1.35 113.55 112.63 2jr2 h SER 51 Ca 0.50 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2jr2 h SER 51 Cb 1.35 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2jr2 h SER 51 CO -0.18 0.06 0.00 2.29 -0.53 0.00 0.00 176.83 178.47 2jr2 n LYS 52 N -4.39 1.44 -0.17 2.24 2.85 0.72 -4.71 118.16 116.13 2jr2 n LYS 52 Ca 0.20 -1.05 -0.11 0.00 -1.05 0.00 0.00 58.31 56.31 2jr2 n LYS 52 Cb 0.89 -0.92 0.00 0.00 -0.65 0.00 0.00 35.03 34.35 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 0.99 -0.22 -1.58 2.43 0.36 -0.32 114.38 116.04 2jr2 h ARG 53 Ca 0.00 -0.38 -0.14 0.00 -0.81 0.00 0.00 59.98 58.65 2jr2 h ARG 53 Cb 0.41 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2jr2 h ARG 53 CO 0.00 1.06 -0.43 0.28 -1.51 0.00 0.00 179.97 179.36 2jr2 h VAL 54 N 0.85 1.31 0.13 0.20 2.07 -1.84 -2.89 116.25 116.08 2jr2 h VAL 54 Ca 0.13 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 2jr2 h VAL 54 Cb 0.69 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2jr2 h VAL 54 CO 0.05 0.51 -0.06 0.00 0.02 0.00 0.00 177.57 178.08 2jr2 h ALA 55 N 1.09 -0.18 -0.40 1.67 0.00 -1.75 -2.06 119.26 117.63 2jr2 h ALA 55 Ca 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2jr2 h ALA 55 Cb 0.94 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2jr2 h ALA 55 CO 0.08 -0.49 0.04 -0.39 0.00 0.00 0.00 179.25 178.49 2jr2 h VAL 56 N -0.39 1.20 -0.02 0.00 -1.51 -1.09 0.69 116.25 115.14 2jr2 h VAL 56 Ca -0.02 -0.79 -0.19 0.00 -1.23 0.00 0.00 66.70 64.48 2jr2 h VAL 56 Cb 0.31 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 2jr2 h VAL 56 CO 0.03 0.28 -0.81 1.62 -1.23 0.00 0.00 177.57 177.46 2jr2 h VAL 57 N 0.59 1.46 -0.14 7.19 3.04 -1.49 0.01 116.25 126.91 2jr2 h VAL 57 Ca 0.13 -2.44 -0.18 0.00 -1.01 0.00 0.00 66.70 63.20 2jr2 h VAL 57 Cb 0.32 2.34 -0.00 0.00 -2.01 0.00 0.00 31.29 31.93 2jr2 h VAL 57 CO 0.01 0.72 -0.64 0.44 -1.01 0.00 0.00 177.57 177.08 2jr2 h ASP 58 N 0.14 0.60 -0.29 3.17 3.32 -0.87 -0.27 116.42 122.22 2jr2 h ASP 58 Ca -0.04 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 2jr2 h ASP 58 Cb 1.41 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2jr2 h ASP 58 CO 0.13 1.09 0.11 0.78 -1.72 0.00 0.00 179.24 179.62 2jr2 h ASN 59 N 0.38 0.41 0.06 6.45 2.35 -0.77 -0.85 115.58 123.61 2jr2 h ASN 59 Ca -0.01 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 2jr2 h ASN 59 Cb 1.20 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 2jr2 h ASN 59 CO 0.12 0.48 -0.09 0.15 -1.65 0.00 0.00 177.43 176.43 2jr2 h PHE 60 N 0.32 -0.23 -0.56 1.19 3.57 -0.87 0.10 116.94 120.46 2jr2 h PHE 60 Ca 0.10 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 2jr2 h PHE 60 Cb 0.20 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2jr2 h PHE 60 CO -0.00 -0.14 0.05 1.79 -2.23 0.00 0.00 178.31 177.77 2jr2 h THR 61 N -0.19 1.26 0.14 4.41 1.35 -1.02 0.43 112.91 119.29 2jr2 h THR 61 Ca 0.02 -1.04 -0.01 0.00 -0.55 0.00 0.00 66.41 64.83 2jr2 h THR 61 Cb 0.20 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2jr2 h THR 61 CO -0.05 0.38 -0.07 0.50 -0.25 0.00 0.00 175.52 176.02 2jr2 h LYS 62 N 0.83 -0.18 -0.48 4.72 3.64 -1.02 -2.53 116.57 121.55 2jr2 h LYS 62 Ca 0.16 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2jr2 h LYS 62 Cb 0.47 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2jr2 h LYS 62 CO 0.02 -0.09 0.30 0.00 -2.27 0.00 0.00 179.45 177.40 2jr2 h ALA 63 N 0.63 0.61 -0.01 5.00 0.00 -0.82 -1.94 119.26 122.73 2jr2 h ALA 63 Ca -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jr2 h ALA 63 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2jr2 h ALA 63 CO 0.03 0.00 -0.19 -0.07 0.00 0.00 0.00 179.25 179.02 2jr2 h LEU 64 N 0.59 -0.60 -1.70 0.00 3.38 -0.77 0.32 115.31 116.54 2jr2 h LEU 64 Ca 0.19 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2jr2 h LEU 64 Cb -0.01 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jr2 h LEU 64 CO -0.07 -0.18 -0.17 0.11 0.09 0.00 0.00 178.44 178.21 2jr2 h LYS 65 N -0.23 0.00 -0.42 1.13 1.57 -1.43 -0.69 116.57 116.50 2jr2 h LYS 65 Ca 0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 2jr2 h LYS 65 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2jr2 h LYS 65 CO -0.13 0.17 -0.32 0.37 -0.57 0.00 0.00 179.45 178.96 2jr2 h GLN 66 N 0.00 0.96 0.00 3.15 4.15 -1.01 -1.46 115.11 120.89 2jr2 h GLN 66 Ca -0.00 -0.47 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2jr2 h GLN 66 Cb 0.32 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2jr2 h GLN 66 CO 0.02 1.13 -0.05 -1.13 -1.93 0.00 0.00 178.83 176.88 2jr2 n SER 67 N -4.08 0.09 0.04 -0.69 3.41 0.07 -2.83 113.62 109.63 2jr2 n SER 67 Ca -0.01 0.44 -0.22 0.00 -0.26 0.00 0.00 58.87 58.81 2jr2 n SER 67 Cb 0.51 -0.44 -0.14 0.00 -0.26 0.00 0.00 64.21 63.88 2jr2 n SER 67 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2jr2 h VAL 68 N 0.00 0.97 -0.63 -3.33 2.07 -0.85 -3.11 116.25 111.36 2jr2 h VAL 68 Ca 0.00 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 2jr2 h VAL 68 Cb 0.51 2.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 2jr2 h VAL 68 CO 0.00 0.79 0.34 -0.07 0.02 0.00 0.00 177.57 178.64 2jr2 h LEU 69 N -0.10 0.80 -7.32 2.57 3.38 -1.29 -3.35 115.31 110.01 2jr2 h LEU 69 Ca -0.33 -0.10 -0.62 0.00 0.09 0.00 0.00 57.88 56.91 2jr2 h LEU 69 Cb 1.93 -0.20 -0.40 0.00 0.09 0.00 0.00 40.66 42.07 2jr2 h LEU 69 CO 0.12 0.68 -0.72 -0.70 0.09 0.00 0.00 178.44 177.91 2jr2 s GLU 70 N -5.82 1.33 -0.39 1.13 2.56 -1.13 -4.96 118.70 111.43 2jr2 s GLU 70 Ca -0.13 -1.85 0.05 0.00 0.00 0.00 0.00 54.97 53.04 2jr2 s GLU 70 Cb 0.13 -2.70 0.46 0.00 2.00 0.00 0.00 34.13 34.02 2jr2 s GLU 70 CO 0.78 -1.04 1.40 1.58 -0.56 0.00 0.00 175.26 177.43 2jr2 n HIS 71 N 4.01 2.88 -2.32 5.30 -0.00 -1.18 -4.52 115.22 119.39 2jr2 n HIS 71 Ca 0.04 -2.43 -0.02 0.00 -0.00 0.00 0.00 57.72 55.31 2jr2 n HIS 71 Cb 0.38 -0.62 -0.02 0.00 -0.00 0.00 0.00 29.99 29.74 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 -0.76 -3.04 -1.82 1.57 -0.00 -1.26 -4.79 115.22 105.12 2jr2 n HIS 72 Ca 0.49 1.57 -0.41 0.00 0.46 0.00 0.00 57.72 59.83 2jr2 n HIS 72 Cb 0.89 -3.27 -0.02 0.00 -0.12 0.00 0.00 29.99 27.46 2jr2 n HIS 72 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jr2 n HIS 73 N 0.85 3.25 -3.21 1.57 8.25 -1.26 -4.88 115.22 119.79 2jr2 n HIS 73 Ca -0.15 -2.43 -0.42 0.00 -0.26 0.00 0.00 57.72 54.46 2jr2 n HIS 73 Cb 0.23 -2.37 -0.08 0.00 1.12 0.00 0.00 29.99 28.90 2jr2 n HIS 73 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jr2 s HIS 74 N 5.04 3.13 0.00 4.41 2.46 -1.26 -4.98 115.29 124.09 2jr2 s HIS 74 Ca 0.54 -0.08 -0.13 0.00 0.47 0.00 0.00 55.06 55.87 2jr2 s HIS 74 Cb 0.10 -3.08 -0.07 0.00 -0.13 0.00 0.00 32.58 29.39 2jr2 s HIS 74 CO 0.04 -0.72 0.85 0.45 -2.47 0.00 0.00 174.74 172.89 2jr2 h HIS 75 N 8.70 -0.43 0.00 3.88 3.86 -2.03 -3.54 115.15 125.59 2jr2 h HIS 75 Ca -0.26 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2jr2 h HIS 75 Cb 1.11 0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.72 2jr2 h HIS 75 CO 0.69 -0.27 0.00 1.58 0.86 0.00 0.00 177.93 180.80