#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 4.61 -0.93 0.03 0.04 -1.26 -4.98 135.00 132.52 2jr2 s PRO 2 Ca 0.00 1.53 -0.24 0.00 0.04 0.00 0.00 61.00 62.33 2jr2 s PRO 2 Cb 0.00 -3.38 0.03 0.00 0.04 0.00 0.00 34.50 31.19 2jr2 s PRO 2 CO 0.00 0.06 1.50 0.96 0.04 0.00 0.00 177.00 179.57 2jr2 s ILE 3 N 0.34 3.79 -0.15 0.56 -4.36 -1.26 -4.97 121.20 115.15 2jr2 s ILE 3 Ca 0.50 -0.42 -0.06 0.00 -0.26 0.00 0.00 60.65 60.41 2jr2 s ILE 3 Cb -0.25 -4.84 -0.04 0.00 1.25 0.00 0.00 42.46 38.59 2jr2 s ILE 3 CO 0.30 -1.74 0.07 0.54 0.24 0.00 0.00 174.94 174.35 2jr2 s VAL 4 N 6.02 4.86 0.06 8.37 0.11 -1.26 -5.08 120.40 133.48 2jr2 s VAL 4 Ca 0.48 -0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 59.24 2jr2 s VAL 4 Cb -0.03 -3.14 0.09 0.00 -1.53 0.00 0.00 36.38 31.76 2jr2 s VAL 4 CO -0.02 0.53 0.86 -0.55 -3.33 0.00 0.00 175.10 172.59 2jr2 s SER 5 N -0.23 -0.35 -0.01 3.54 0.15 -1.26 -5.04 113.70 110.50 2jr2 s SER 5 Ca 0.08 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.65 2jr2 s SER 5 Cb -0.12 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 2jr2 s SER 5 CO 0.01 -0.74 0.91 2.29 1.20 0.00 0.00 173.24 176.91 2jr2 n LYS 6 N -0.31 0.20 0.00 5.44 2.85 -1.26 -5.14 118.16 119.94 2jr2 n LYS 6 Ca -0.09 -1.05 0.00 0.00 -1.05 0.00 0.00 58.31 56.12 2jr2 n LYS 6 Cb 0.62 -0.61 0.00 0.00 -0.65 0.00 0.00 35.03 34.39 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 -0.15 -1.49 -2.62 5.58 4.01 -1.26 -4.35 117.16 116.89 2jr2 n TYR 7 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 2jr2 n TYR 7 Cb 0.64 0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 39.89 2jr2 n TYR 7 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2jr2 s SER 8 N -4.00 6.73 0.22 7.72 0.01 -1.26 -4.92 113.70 118.21 2jr2 s SER 8 Ca 0.00 0.66 -0.09 0.00 1.31 0.00 0.00 55.95 57.83 2jr2 s SER 8 Cb 0.00 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 63.88 2jr2 s SER 8 CO 0.00 -1.12 1.90 -1.13 0.41 0.00 0.00 173.24 173.30 2jr2 h ASN 9 N 8.84 0.97 -0.93 2.44 -0.73 -2.00 0.22 115.58 124.40 2jr2 h ASN 9 Ca -0.22 -0.03 0.07 0.00 1.87 0.00 0.00 56.30 57.99 2jr2 h ASN 9 Cb 1.06 -0.24 -0.07 0.00 0.27 0.00 0.00 38.32 39.34 2jr2 h ASN 9 CO 1.09 0.70 0.58 -0.33 -0.37 0.00 0.00 177.43 179.11 2jr2 h GLU 10 N 1.15 1.01 -0.33 6.67 3.07 -1.96 -0.43 114.58 123.77 2jr2 h GLU 10 Ca 0.31 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 59.00 2jr2 h GLU 10 Cb -0.13 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.54 2jr2 h GLU 10 CO -0.07 0.67 -0.21 -0.09 -1.40 0.00 0.00 179.01 177.92 2jr2 h ARG 11 N 1.04 0.72 -0.53 2.33 2.43 -1.48 -1.24 114.38 117.64 2jr2 h ARG 11 Ca 0.41 -0.33 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 2jr2 h ARG 11 Cb 0.21 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 2jr2 h ARG 11 CO -0.19 0.94 0.21 0.28 -1.51 0.00 0.00 179.97 179.70 2jr2 h VAL 12 N 0.48 0.84 -0.37 0.20 2.07 0.09 0.36 116.25 119.92 2jr2 h VAL 12 Ca 0.07 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 2jr2 h VAL 12 Cb 0.76 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2jr2 h VAL 12 CO 0.06 0.07 -0.07 -0.08 0.02 0.00 0.00 177.57 177.57 2jr2 h GLU 13 N 0.40 0.61 0.00 1.57 4.81 -1.02 -1.97 114.58 118.98 2jr2 h GLU 13 Ca 0.26 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2jr2 h GLU 13 Cb 0.27 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2jr2 h GLU 13 CO -0.25 0.69 -0.30 -0.22 -0.73 0.00 0.00 179.01 178.20 2jr2 h LYS 14 N 0.57 0.00 -0.14 1.92 1.63 0.18 0.12 116.57 120.85 2jr2 h LYS 14 Ca 0.11 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.87 2jr2 h LYS 14 Cb 0.47 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2jr2 h LYS 14 CO 0.02 0.30 -0.08 0.82 -3.45 0.00 0.00 179.45 177.07 2jr2 h ILE 15 N 0.00 1.32 -0.56 2.00 2.04 0.36 0.40 117.51 123.08 2jr2 h ILE 15 Ca -0.00 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.74 2jr2 h ILE 15 Cb 0.73 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 2jr2 h ILE 15 CO 0.04 0.33 0.34 0.40 0.00 0.00 0.00 178.15 179.26 2jr2 h ILE 16 N -0.05 1.08 -0.11 -0.67 2.04 -1.12 -1.80 117.51 116.87 2jr2 h ILE 16 Ca 0.03 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 2jr2 h ILE 16 Cb 0.56 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2jr2 h ILE 16 CO 0.02 0.12 -0.32 -0.61 0.00 0.00 0.00 178.15 177.36 2jr2 h GLN 17 N 0.68 0.21 -0.27 2.37 -0.00 -0.68 -2.35 115.11 115.08 2jr2 h GLN 17 Ca 0.22 -0.08 -0.12 0.00 -0.00 0.00 0.00 58.65 58.67 2jr2 h GLN 17 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 2jr2 h GLN 17 CO -0.09 0.52 -0.33 0.22 0.00 0.00 0.00 178.83 179.16 2jr2 h ASP 18 N 0.19 0.61 -0.40 -0.69 3.58 0.50 0.43 116.42 120.63 2jr2 h ASP 18 Ca 0.03 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 2jr2 h ASP 18 Cb 0.67 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 2jr2 h ASP 18 CO 0.05 0.89 0.22 -0.07 -2.88 0.00 0.00 179.24 177.46 2jr2 h LEU 19 N 0.50 0.50 -1.15 2.28 3.38 -1.06 -1.80 115.31 117.96 2jr2 h LEU 19 Ca 0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2jr2 h LEU 19 Cb 0.81 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2jr2 h LEU 19 CO 0.07 0.43 0.27 -0.07 0.09 0.00 0.00 178.44 179.23 2jr2 h LEU 20 N 0.52 0.78 -1.12 1.67 3.38 -0.84 -0.67 115.31 119.03 2jr2 h LEU 20 Ca 0.14 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2jr2 h LEU 20 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2jr2 h LEU 20 CO -0.02 0.68 0.08 -0.78 0.09 0.00 0.00 178.44 178.48 2jr2 h ASP 21 N 0.86 0.65 0.06 -0.43 3.58 0.25 0.24 116.42 121.64 2jr2 h ASP 21 Ca 0.21 -0.12 -0.20 0.00 0.42 0.00 0.00 57.03 57.34 2jr2 h ASP 21 Cb 0.12 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2jr2 h ASP 21 CO -0.02 0.67 -0.74 0.58 -2.88 0.00 0.00 179.24 176.85 2jr2 h VAL 22 N 0.67 1.33 -0.77 2.25 2.07 -0.79 0.31 116.25 121.33 2jr2 h VAL 22 Ca 0.15 -2.05 -0.04 0.00 0.82 0.00 0.00 66.70 65.58 2jr2 h VAL 22 Cb 0.30 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2jr2 h VAL 22 CO 0.00 0.63 0.31 -0.07 0.02 0.00 0.00 177.57 178.46 2jr2 h LEU 23 N 0.40 1.05 0.00 2.57 3.38 -0.27 -2.00 115.31 120.45 2jr2 h LEU 23 Ca -0.04 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 2jr2 h LEU 23 Cb 1.34 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2jr2 h LEU 23 CO 0.14 0.93 -0.86 1.62 0.09 0.00 0.00 178.44 180.36 2jr2 h VAL 24 N 1.12 0.77 -0.48 1.22 3.04 -0.54 0.18 116.25 121.55 2jr2 h VAL 24 Ca 0.26 -2.19 0.08 0.00 -1.01 0.00 0.00 66.70 63.83 2jr2 h VAL 24 Cb 0.21 2.30 -0.07 0.00 -2.01 0.00 0.00 31.29 31.72 2jr2 h VAL 24 CO -0.02 0.44 0.09 0.50 -1.01 0.00 0.00 177.57 177.57 2jr2 h LYS 25 N 0.00 0.22 0.00 4.17 3.64 0.09 -2.15 116.57 122.54 2jr2 h LYS 25 Ca -0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2jr2 h LYS 25 Cb 1.47 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2jr2 h LYS 25 CO 0.06 0.15 -0.74 0.39 -2.27 0.00 0.00 179.45 177.04 2jr2 n GLU 26 N -5.11 0.06 -3.35 1.90 -0.58 -0.79 -4.99 120.64 107.77 2jr2 n GLU 26 Ca 0.05 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.67 2jr2 n GLU 26 Cb 0.24 -1.52 0.02 0.00 -0.57 0.00 0.00 31.44 29.60 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 -1.60 -1.47 -1.68 3.49 1.02 -0.04 -5.00 120.64 115.37 2jr2 n GLU 27 Ca 0.04 1.08 -0.29 0.00 -0.02 0.00 0.00 57.16 57.97 2jr2 n GLU 27 Cb 0.36 -4.76 0.15 0.00 -0.02 0.00 0.00 31.44 27.17 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 -3.13 1.95 0.37 2.62 -7.23 0.44 -5.00 120.40 110.42 2jr2 s VAL 28 Ca 0.14 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.39 2jr2 s VAL 28 Cb -0.04 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 2jr2 s VAL 28 CO 0.80 0.00 0.19 0.42 -0.31 0.00 0.00 175.10 176.20 2jr2 s THR 29 N -3.49 2.81 0.18 5.32 -4.23 -1.26 -4.95 115.64 110.03 2jr2 s THR 29 Ca 0.67 -1.64 -0.15 0.00 -1.18 0.00 0.00 61.69 59.39 2jr2 s THR 29 Cb -0.10 -2.99 0.15 0.00 1.34 0.00 0.00 72.50 70.89 2jr2 s THR 29 CO 0.52 -0.11 1.66 1.55 -0.54 0.00 0.00 174.62 177.70 2jr2 h PRO 30 N 1.44 0.02 -0.20 3.99 0.13 -1.99 0.30 132.00 135.68 2jr2 h PRO 30 Ca -0.43 -0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.75 2jr2 h PRO 30 Cb 1.25 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 2jr2 h PRO 30 CO 0.64 0.01 -0.13 -0.44 -0.23 0.00 0.00 178.00 177.85 2jr2 h ASP 31 N 0.02 -0.42 -0.44 1.44 5.19 -2.00 -1.73 116.42 118.49 2jr2 h ASP 31 Ca 0.24 0.09 -0.12 0.00 -0.62 0.00 0.00 57.03 56.62 2jr2 h ASP 31 Cb 0.37 0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 2jr2 h ASP 31 CO -0.49 -0.16 -0.20 0.25 -3.12 0.00 0.00 179.24 175.51 2jr2 h LEU 32 N -0.12 0.96 0.02 1.55 5.85 -1.75 -2.54 115.31 119.28 2jr2 h LEU 32 Ca 0.12 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2jr2 h LEU 32 Cb 0.29 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2jr2 h LEU 32 CO -0.28 1.12 -0.01 0.00 -0.34 0.00 0.00 178.44 178.94 2jr2 h ALA 33 N 0.95 -0.02 -0.56 1.25 0.00 -0.20 -1.98 119.26 118.69 2jr2 h ALA 33 Ca 0.11 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jr2 h ALA 33 Cb 0.76 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2jr2 h ALA 33 CO 0.06 -0.43 0.36 -0.07 0.00 0.00 0.00 179.25 179.17 2jr2 h LEU 34 N -0.19 0.60 -0.89 0.00 3.38 -1.25 0.33 115.31 117.29 2jr2 h LEU 34 Ca -0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2jr2 h LEU 34 Cb 0.18 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2jr2 h LEU 34 CO 0.00 0.43 0.17 -0.03 0.09 0.00 0.00 178.44 179.11 2jr2 h MET 35 N 0.72 0.99 0.02 1.13 4.05 -1.40 0.36 114.93 120.80 2jr2 h MET 35 Ca 0.21 -0.21 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2jr2 h MET 35 Cb -0.04 -0.14 0.01 0.00 -0.80 0.00 0.00 31.60 30.62 2jr2 h MET 35 CO -0.07 0.87 -0.28 0.00 0.23 0.00 0.00 176.91 177.67 2jr2 h LEU 37 N -0.58 0.04 -1.78 0.00 3.38 -0.31 -2.18 115.31 113.89 2jr2 h LEU 37 Ca -0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2jr2 h LEU 37 Cb 1.09 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2jr2 h LEU 37 CO 0.05 0.13 0.05 1.23 0.09 0.00 0.00 178.44 179.99 2jr2 h GLY 38 N -0.05 0.20 0.87 0.83 0.00 -1.06 0.04 103.07 103.90 2jr2 h GLY 38 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2jr2 h GLY 38 CO -0.00 0.08 -0.03 -0.57 0.00 0.00 0.00 176.54 176.02 2jr2 h ASN 39 N 0.19 0.50 -0.77 0.19 -0.73 -1.34 -1.42 115.58 112.21 2jr2 h ASN 39 Ca 0.05 -0.34 -0.05 0.00 1.87 0.00 0.00 56.30 57.83 2jr2 h ASN 39 Cb 0.05 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 2jr2 h ASN 39 CO -0.00 0.72 0.27 0.00 -0.37 0.00 0.00 177.43 178.05 2jr2 h ALA 40 N 0.80 1.03 -0.10 1.57 0.00 -0.68 -1.12 119.26 120.76 2jr2 h ALA 40 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2jr2 h ALA 40 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2jr2 h ALA 40 CO 0.02 0.67 -0.02 0.28 0.00 0.00 0.00 179.25 180.19 2jr2 h VAL 41 N 1.13 0.90 -0.26 0.00 2.07 -0.88 -1.69 116.25 117.53 2jr2 h VAL 41 Ca 0.25 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.73 2jr2 h VAL 41 Cb 0.26 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2jr2 h VAL 41 CO -0.01 0.00 -0.01 0.74 0.02 0.00 0.00 177.57 178.31 2jr2 h THR 42 N 0.00 1.17 -0.13 2.57 2.02 -0.92 -0.37 112.91 117.25 2jr2 h THR 42 Ca 0.05 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 2jr2 h THR 42 Cb 0.07 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2jr2 h THR 42 CO -0.10 0.22 0.05 -1.13 0.37 0.00 0.00 175.52 174.93 2jr2 h ASN 43 N 0.38 0.19 -0.60 4.18 -0.73 -0.79 -2.22 115.58 116.00 2jr2 h ASN 43 Ca 0.09 -0.18 -0.05 0.00 1.87 0.00 0.00 56.30 58.03 2jr2 h ASN 43 Cb 0.27 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.79 2jr2 h ASN 43 CO 0.01 0.31 0.16 0.40 -0.37 0.00 0.00 177.43 177.94 2jr2 h ILE 44 N 0.05 1.25 -0.11 2.57 1.08 -0.65 -2.72 117.51 118.97 2jr2 h ILE 44 Ca 0.04 -0.87 -0.03 0.00 -0.39 0.00 0.00 64.86 63.61 2jr2 h ILE 44 Cb 0.19 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 2jr2 h ILE 44 CO -0.00 0.33 -0.07 0.40 -0.69 0.00 0.00 178.15 178.11 2jr2 h ILE 45 N 0.86 1.13 0.00 -0.67 2.04 -1.00 -0.71 117.51 119.16 2jr2 h ILE 45 Ca 0.19 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2jr2 h ILE 45 Cb 0.33 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2jr2 h ILE 45 CO -0.00 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.32 2jr2 n ALA 46 N -2.50 1.66 1.23 1.87 0.00 -0.84 -1.43 120.51 120.50 2jr2 n ALA 46 Ca -0.01 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.63 2jr2 n ALA 46 Cb 0.21 -1.38 0.30 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.19 1.32 -3.07 0.00 6.02 -0.28 -4.88 117.38 114.31 2jr2 n GLN 47 Ca 0.02 -0.90 -0.39 0.00 -0.01 0.00 0.00 57.00 55.72 2jr2 n GLN 47 Cb 0.22 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.94 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 -2.30 4.48 0.50 5.09 1.01 -0.51 -5.05 120.40 123.61 2jr2 s VAL 48 Ca 0.27 1.53 -0.23 0.00 0.00 0.00 0.00 61.98 63.56 2jr2 s VAL 48 Cb 0.20 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 2jr2 s VAL 48 CO 0.45 0.49 1.30 -2.84 0.00 0.00 0.00 175.10 174.50 2jr2 s PRO 49 N -1.26 3.46 0.47 2.72 0.02 -1.26 -4.69 135.00 134.45 2jr2 s PRO 49 Ca 0.35 2.11 0.17 0.00 0.02 0.00 0.00 61.00 63.65 2jr2 s PRO 49 Cb -0.21 -2.39 1.15 0.00 0.02 0.00 0.00 34.50 33.07 2jr2 s PRO 49 CO 0.24 -0.90 1.99 1.49 -0.33 0.00 0.00 177.00 179.49 2jr2 h GLU 50 N 1.84 0.26 -0.39 5.54 4.57 -1.96 0.20 114.58 124.64 2jr2 h GLU 50 Ca -0.50 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 57.72 2jr2 h GLU 50 Cb 1.28 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.76 2jr2 h GLU 50 CO 0.59 0.17 0.10 1.03 -1.18 0.00 0.00 179.01 179.72 2jr2 h SER 51 N 0.27 0.06 -0.02 1.04 0.87 -2.04 -2.81 113.55 110.92 2jr2 h SER 51 Ca 0.26 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2jr2 h SER 51 Cb 0.67 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2jr2 h SER 51 CO -0.06 0.07 -0.12 2.29 -0.53 0.00 0.00 176.83 178.48 2jr2 n LYS 52 N -5.07 1.44 -0.19 2.24 2.85 -0.82 -4.57 118.16 114.05 2jr2 n LYS 52 Ca 0.02 -1.21 -0.02 0.00 -1.05 0.00 0.00 58.31 56.06 2jr2 n LYS 52 Cb 0.17 -1.29 0.20 0.00 -0.65 0.00 0.00 35.03 33.46 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 2.64 0.95 -0.03 -1.58 2.43 -0.34 0.34 114.38 118.79 2jr2 h ARG 53 Ca 0.00 -0.13 -0.21 0.00 -0.81 0.00 0.00 59.98 58.83 2jr2 h ARG 53 Cb 0.62 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2jr2 h ARG 53 CO 0.00 0.73 -0.87 0.28 -1.51 0.00 0.00 179.97 178.60 2jr2 h VAL 54 N 0.94 1.40 -0.23 0.20 2.07 -1.81 -3.21 116.25 115.61 2jr2 h VAL 54 Ca 0.23 -2.36 -0.07 0.00 0.82 0.00 0.00 66.70 65.32 2jr2 h VAL 54 Cb 0.10 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2jr2 h VAL 54 CO -0.03 0.71 -0.14 0.00 0.02 0.00 0.00 177.57 178.13 2jr2 h ALA 55 N 0.81 0.33 -0.68 1.67 0.00 -1.53 -2.58 119.26 117.28 2jr2 h ALA 55 Ca -0.06 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 2jr2 h ALA 55 Cb 1.49 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2jr2 h ALA 55 CO 0.15 0.20 0.19 -0.39 0.00 0.00 0.00 179.25 179.40 2jr2 h VAL 56 N 0.21 1.25 -0.21 0.00 -1.51 -0.45 0.90 116.25 116.44 2jr2 h VAL 56 Ca 0.05 -0.90 -0.16 0.00 -1.23 0.00 0.00 66.70 64.46 2jr2 h VAL 56 Cb 0.65 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 2jr2 h VAL 56 CO 0.04 0.35 -0.52 1.62 -1.23 0.00 0.00 177.57 177.83 2jr2 h VAL 57 N 1.01 1.31 -0.23 7.19 3.04 -1.57 0.17 116.25 127.18 2jr2 h VAL 57 Ca 0.22 -1.74 -0.08 0.00 -1.01 0.00 0.00 66.70 64.08 2jr2 h VAL 57 Cb 0.32 1.71 -0.00 0.00 -2.01 0.00 0.00 31.29 31.31 2jr2 h VAL 57 CO -0.00 0.55 -0.18 -0.78 -1.01 0.00 0.00 177.57 176.15 2jr2 h ASP 58 N 0.46 0.55 -0.62 3.17 3.58 -1.06 0.25 116.42 122.75 2jr2 h ASP 58 Ca 0.02 -0.45 -0.02 0.00 0.42 0.00 0.00 57.03 57.00 2jr2 h ASP 58 Cb 1.06 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 2jr2 h ASP 58 CO 0.10 0.89 0.33 0.78 -2.88 0.00 0.00 179.24 178.45 2jr2 h ASN 59 N 0.22 0.80 0.45 2.28 2.35 -0.79 0.39 115.58 121.28 2jr2 h ASN 59 Ca 0.04 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2jr2 h ASN 59 Cb 0.71 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2jr2 h ASN 59 CO 0.05 0.66 -0.22 0.15 -1.65 0.00 0.00 177.43 176.42 2jr2 h PHE 60 N 0.90 -0.56 -0.53 1.19 3.57 -0.71 0.80 116.94 121.60 2jr2 h PHE 60 Ca 0.22 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 2jr2 h PHE 60 Cb 0.06 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2jr2 h PHE 60 CO 0.01 -0.33 0.17 1.79 -2.23 0.00 0.00 178.31 177.71 2jr2 h THR 61 N -0.63 1.21 -0.06 4.41 1.35 -0.60 -0.99 112.91 117.60 2jr2 h THR 61 Ca -0.06 -0.72 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2jr2 h THR 61 Cb 0.48 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2jr2 h THR 61 CO 0.10 0.27 0.02 0.50 -0.25 0.00 0.00 175.52 176.17 2jr2 h LYS 62 N 0.77 0.08 -0.78 4.72 3.64 -0.07 -2.53 116.57 122.40 2jr2 h LYS 62 Ca 0.18 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2jr2 h LYS 62 Cb 0.23 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 2jr2 h LYS 62 CO -0.01 0.21 0.41 0.00 -2.27 0.00 0.00 179.45 177.79 2jr2 h ALA 63 N 0.87 1.25 0.19 5.00 0.00 -0.49 -2.50 119.26 123.57 2jr2 h ALA 63 Ca 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jr2 h ALA 63 Cb 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2jr2 h ALA 63 CO -0.00 0.60 -0.26 -0.07 0.00 0.00 0.00 179.25 179.52 2jr2 h LEU 64 N 1.10 -0.71 -0.79 0.00 3.38 -1.05 -0.55 115.31 116.69 2jr2 h LEU 64 Ca 0.27 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.38 2jr2 h LEU 64 Cb 0.06 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 2jr2 h LEU 64 CO -0.04 -0.36 0.47 0.11 0.09 0.00 0.00 178.44 178.71 2jr2 h LYS 65 N -0.51 0.84 -0.12 1.13 1.57 -1.18 -1.04 116.57 117.26 2jr2 h LYS 65 Ca 0.01 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 2jr2 h LYS 65 Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2jr2 h LYS 65 CO -0.10 0.55 -0.42 1.96 -0.57 0.00 0.00 179.45 180.87 2jr2 h GLN 66 N 0.86 0.28 0.00 3.15 1.08 -1.24 -1.05 115.11 118.19 2jr2 h GLN 66 Ca 0.35 -0.14 -0.07 0.00 -1.45 0.00 0.00 58.65 57.34 2jr2 h GLN 66 Cb 0.19 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2jr2 h GLN 66 CO -0.18 0.66 -0.32 0.77 -0.95 0.00 0.00 178.83 178.81 2jr2 h SER 67 N 0.23 0.00 0.17 1.46 0.02 -0.17 -1.67 113.55 113.59 2jr2 h SER 67 Ca 0.02 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.64 2jr2 h SER 67 Cb 0.85 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.39 2jr2 h SER 67 CO 0.07 0.32 -1.66 0.58 -1.14 0.00 0.00 176.83 175.00 2jr2 h VAL 68 N 0.00 0.95 0.47 2.27 2.07 -1.07 -2.25 116.25 118.69 2jr2 h VAL 68 Ca -0.00 -2.47 -0.02 0.00 0.82 0.00 0.00 66.70 65.02 2jr2 h VAL 68 Cb 1.21 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 2jr2 h VAL 68 CO 0.04 0.82 -0.23 0.25 0.02 0.00 0.00 177.57 178.47 2jr2 h LEU 69 N -0.01 -0.54 0.00 2.57 6.46 -1.23 -3.38 115.31 119.19 2jr2 h LEU 69 Ca -0.34 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 2jr2 h LEU 69 Cb 2.00 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 42.07 2jr2 h LEU 69 CO 0.14 -0.18 -0.04 -0.33 -0.62 0.00 0.00 178.44 177.41 2jr2 h GLU 70 N -0.93 0.00 0.00 1.25 4.39 -1.50 -3.47 114.58 114.32 2jr2 h GLU 70 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2jr2 h GLU 70 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2jr2 h GLU 70 CO 0.11 0.00 0.00 1.58 -1.16 0.00 0.00 179.01 179.54 2jr2 n HIS 71 N -4.50 0.00 -1.58 4.33 -0.00 -0.85 -4.83 115.22 107.80 2jr2 n HIS 71 Ca -0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 2jr2 n HIS 71 Cb 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.98 2jr2 n HIS 71 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jr2 s HIS 72 N 0.00 1.10 -0.36 1.57 5.65 -1.26 -4.00 115.29 118.00 2jr2 s HIS 72 Ca 0.00 1.43 -0.26 0.00 0.25 0.00 0.00 55.06 56.48 2jr2 s HIS 72 Cb 0.00 -3.64 0.04 0.00 -1.18 0.00 0.00 32.58 27.80 2jr2 s HIS 72 CO 0.00 -2.69 0.50 1.58 -0.65 0.00 0.00 174.74 173.48 2jr2 n HIS 73 N 15.36 -2.45 -3.95 3.88 -0.00 -1.26 -4.99 115.22 121.81 2jr2 n HIS 73 Ca 0.35 1.02 -0.30 0.00 -0.00 0.00 0.00 57.72 58.80 2jr2 n HIS 73 Cb 0.54 -2.20 -0.16 0.00 -0.00 0.00 0.00 29.99 28.16 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 -1.61 2.23 -0.30 1.57 -0.00 -1.26 -5.07 115.29 110.86 2jr2 s HIS 74 Ca 0.27 -1.51 -0.17 0.00 -0.00 0.00 0.00 55.06 53.65 2jr2 s HIS 74 Cb -0.04 -1.54 0.18 0.00 -0.00 0.00 0.00 32.58 31.19 2jr2 s HIS 74 CO 0.70 -0.72 1.15 -1.58 -0.00 0.00 0.00 174.74 174.28 2jr2 s HIS 75 N 1.46 -0.31 0.00 0.38 2.46 -1.26 -5.07 115.29 112.95 2jr2 s HIS 75 Ca -0.02 0.58 0.00 0.00 0.47 0.00 0.00 55.06 56.09 2jr2 s HIS 75 Cb -0.17 0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.47 2jr2 s HIS 75 CO -0.08 -0.15 0.09 -2.39 -2.47 0.00 0.00 174.74 169.74