#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 4.14 0.25 2.12 0.02 -1.26 -5.02 135.00 135.25 2jr2 s PRO 2 Ca 0.00 2.56 0.03 0.00 0.02 0.00 0.00 61.00 63.62 2jr2 s PRO 2 Cb 0.00 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.41 2jr2 s PRO 2 CO 0.00 -0.67 0.01 -1.50 -0.33 0.00 0.00 177.00 174.52 2jr2 s ILE 3 N 0.54 1.04 0.20 2.83 2.07 -1.26 -5.03 121.20 121.59 2jr2 s ILE 3 Ca 0.68 -2.03 0.35 0.00 -1.41 0.00 0.00 60.65 58.25 2jr2 s ILE 3 Cb -0.48 -2.45 0.39 0.00 0.13 0.00 0.00 42.46 40.04 2jr2 s ILE 3 CO 0.40 -0.24 2.06 0.58 -1.91 0.00 0.00 174.94 175.84 2jr2 h VAL 4 N 2.40 0.00 -0.67 4.00 2.07 -2.03 -3.38 116.25 118.63 2jr2 h VAL 4 Ca -0.39 -0.29 -0.49 0.00 0.82 0.00 0.00 66.70 66.35 2jr2 h VAL 4 Cb 1.23 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 2jr2 h VAL 4 CO 0.65 0.00 1.55 -0.44 0.02 0.00 0.00 177.57 179.35 2jr2 s SER 5 N -5.27 5.85 0.10 0.57 0.01 -1.26 -4.51 113.70 109.19 2jr2 s SER 5 Ca -0.01 -1.95 0.19 0.00 1.31 0.00 0.00 55.95 55.49 2jr2 s SER 5 Cb 0.10 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.65 2jr2 s SER 5 CO 0.47 -2.21 0.88 1.17 0.41 0.00 0.00 173.24 173.96 2jr2 n LYS 6 N 8.38 0.62 -2.48 12.44 4.81 -1.26 -4.92 118.16 135.75 2jr2 n LYS 6 Ca 0.46 0.18 -0.38 0.00 -0.87 0.00 0.00 58.31 57.70 2jr2 n LYS 6 Cb 0.47 -1.81 -0.04 0.00 0.02 0.00 0.00 35.03 33.67 2jr2 n LYS 6 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2jr2 s TYR 7 N -3.08 3.30 0.51 5.64 -0.85 -1.26 -5.03 117.35 116.59 2jr2 s TYR 7 Ca -0.02 1.64 -0.19 0.00 -0.52 0.00 0.00 57.07 57.98 2jr2 s TYR 7 Cb 0.09 -3.21 -0.07 0.00 0.38 0.00 0.00 41.96 39.14 2jr2 s TYR 7 CO 0.81 -0.74 1.03 -1.54 -1.52 0.00 0.00 175.55 173.58 2jr2 s SER 8 N -1.33 6.29 0.42 -0.18 1.04 -1.26 -4.94 113.70 113.74 2jr2 s SER 8 Ca 0.55 1.83 0.11 0.00 0.48 0.00 0.00 55.95 58.92 2jr2 s SER 8 Cb -0.26 -2.55 0.90 0.00 0.10 0.00 0.00 66.02 64.21 2jr2 s SER 8 CO 0.33 -0.81 1.99 -0.55 0.98 0.00 0.00 173.24 175.17 2jr2 h ASN 9 N 1.23 0.21 -0.44 7.02 -1.07 -1.99 -1.92 115.58 118.63 2jr2 h ASN 9 Ca -0.48 -0.03 -0.01 0.00 0.07 0.00 0.00 56.30 55.85 2jr2 h ASN 9 Cb 1.21 -0.06 -0.02 0.00 -2.07 0.00 0.00 38.32 37.39 2jr2 h ASN 9 CO 0.59 0.29 0.25 -0.33 0.07 0.00 0.00 177.43 178.31 2jr2 h GLU 10 N 0.23 0.61 -0.35 4.14 4.39 -1.99 -1.87 114.58 119.74 2jr2 h GLU 10 Ca 0.05 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2jr2 h GLU 10 Cb 0.23 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2jr2 h GLU 10 CO 0.01 0.47 0.18 -0.09 -1.16 0.00 0.00 179.01 178.42 2jr2 h ARG 11 N 0.58 0.49 -0.27 2.33 2.43 -1.75 -0.96 114.38 117.24 2jr2 h ARG 11 Ca 0.16 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2jr2 h ARG 11 Cb 0.03 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 2jr2 h ARG 11 CO -0.03 0.43 -0.03 0.28 -1.51 0.00 0.00 179.97 179.11 2jr2 h VAL 12 N 0.43 0.77 -0.79 0.20 2.07 -1.21 0.36 116.25 118.07 2jr2 h VAL 12 Ca 0.12 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 2jr2 h VAL 12 Cb 0.09 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2jr2 h VAL 12 CO -0.02 0.01 0.43 -0.33 0.02 0.00 0.00 177.57 177.68 2jr2 h GLU 13 N 0.04 1.10 0.00 1.57 4.39 -1.13 -2.38 114.58 118.17 2jr2 h GLU 13 Ca 0.13 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2jr2 h GLU 13 Cb 0.18 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2jr2 h GLU 13 CO -0.24 0.80 -0.15 0.87 -1.16 0.00 0.00 179.01 179.13 2jr2 h LYS 14 N 1.10 0.00 -0.14 2.33 1.57 -0.29 0.81 116.57 121.96 2jr2 h LYS 14 Ca 0.28 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2jr2 h LYS 14 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2jr2 h LYS 14 CO -0.05 0.00 -0.01 0.82 -0.57 0.00 0.00 179.45 179.64 2jr2 h ILE 15 N 0.00 1.27 -0.40 1.86 2.04 0.06 0.13 117.51 122.47 2jr2 h ILE 15 Ca 0.00 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 2jr2 h ILE 15 Cb 0.99 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 2jr2 h ILE 15 CO 0.00 0.26 0.23 0.40 0.00 0.00 0.00 178.15 179.05 2jr2 h ILE 16 N -0.02 1.14 -0.29 -0.67 2.04 -1.24 -1.79 117.51 116.68 2jr2 h ILE 16 Ca 0.04 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.57 2jr2 h ILE 16 Cb 0.41 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2jr2 h ILE 16 CO 0.01 0.14 0.18 -0.61 0.00 0.00 0.00 178.15 177.88 2jr2 h GLN 17 N 0.53 0.37 -0.66 2.37 5.75 -0.80 0.81 115.11 123.47 2jr2 h GLN 17 Ca 0.14 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 2jr2 h GLN 17 Cb 0.02 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 2jr2 h GLN 17 CO -0.03 0.24 0.43 0.22 -2.65 0.00 0.00 178.83 177.04 2jr2 h ASP 18 N 0.38 0.76 -0.17 -0.69 3.58 -0.55 0.39 116.42 120.12 2jr2 h ASP 18 Ca 0.11 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2jr2 h ASP 18 Cb -0.03 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 2jr2 h ASP 18 CO -0.03 0.56 0.09 -0.07 -2.88 0.00 0.00 179.24 176.91 2jr2 h LEU 19 N 0.89 0.22 -1.07 2.28 3.38 -1.08 -2.51 115.31 117.43 2jr2 h LEU 19 Ca 0.24 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2jr2 h LEU 19 Cb -0.09 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2jr2 h LEU 19 CO -0.05 0.25 0.24 -0.07 0.09 0.00 0.00 178.44 178.90 2jr2 h LEU 20 N 0.17 0.83 -0.79 1.67 3.38 -0.20 -1.90 115.31 118.47 2jr2 h LEU 20 Ca 0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2jr2 h LEU 20 Cb 0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2jr2 h LEU 20 CO -0.01 0.74 0.36 -0.78 0.09 0.00 0.00 178.44 178.85 2jr2 h ASP 21 N 0.89 1.05 -0.33 -0.43 3.58 -0.02 0.19 116.42 121.35 2jr2 h ASP 21 Ca 0.21 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 2jr2 h ASP 21 Cb 0.18 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2jr2 h ASP 21 CO -0.02 0.90 0.09 0.58 -2.88 0.00 0.00 179.24 177.92 2jr2 h VAL 22 N 1.13 1.21 -0.75 2.25 2.07 -1.11 0.16 116.25 121.21 2jr2 h VAL 22 Ca 0.27 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2jr2 h VAL 22 Cb 0.15 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2jr2 h VAL 22 CO -0.03 0.24 0.48 -0.07 0.02 0.00 0.00 177.57 178.21 2jr2 h LEU 23 N 0.37 0.88 -0.33 2.57 3.38 -0.65 -1.00 115.31 120.52 2jr2 h LEU 23 Ca 0.10 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 2jr2 h LEU 23 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jr2 h LEU 23 CO -0.00 0.65 -0.84 0.58 0.09 0.00 0.00 178.44 178.92 2jr2 h VAL 24 N 1.02 1.48 -0.73 1.22 2.07 -0.57 -0.15 116.25 120.58 2jr2 h VAL 24 Ca 0.27 -2.53 0.06 0.00 0.82 0.00 0.00 66.70 65.32 2jr2 h VAL 24 Cb -0.09 2.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 2jr2 h VAL 24 CO -0.06 0.74 0.43 0.50 0.02 0.00 0.00 177.57 179.20 2jr2 h LYS 25 N 0.12 0.76 0.00 1.57 3.64 -0.14 -1.05 116.57 121.47 2jr2 h LYS 25 Ca -0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2jr2 h LYS 25 Cb 1.45 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2jr2 h LYS 25 CO 0.13 0.50 -0.13 0.39 -2.27 0.00 0.00 179.45 178.07 2jr2 n GLU 26 N -4.73 0.15 -3.61 1.90 -0.58 -0.43 -4.94 120.64 108.40 2jr2 n GLU 26 Ca 0.10 0.11 -0.20 0.00 -0.42 0.00 0.00 57.16 56.74 2jr2 n GLU 26 Cb 0.17 -1.66 0.05 0.00 -0.57 0.00 0.00 31.44 29.43 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 -1.92 -5.34 -2.00 3.49 1.02 -0.20 -4.94 120.64 110.76 2jr2 n GLU 27 Ca 0.06 0.69 -0.40 0.00 -0.02 0.00 0.00 57.16 57.49 2jr2 n GLU 27 Cb 0.39 -5.38 -0.00 0.00 -0.02 0.00 0.00 31.44 26.43 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 -3.57 2.50 0.67 2.62 -7.23 -0.46 -5.02 120.40 109.92 2jr2 s VAL 28 Ca 0.01 0.46 -0.11 0.00 -1.81 0.00 0.00 61.98 60.53 2jr2 s VAL 28 Cb -0.00 -3.27 -0.01 0.00 0.56 0.00 0.00 36.38 33.66 2jr2 s VAL 28 CO 0.79 0.07 1.06 0.42 -0.31 0.00 0.00 175.10 177.13 2jr2 s THR 29 N -1.24 4.06 0.25 5.32 -4.23 -1.26 -4.78 115.64 113.77 2jr2 s THR 29 Ca 0.57 0.67 -0.03 0.00 -1.18 0.00 0.00 61.69 61.71 2jr2 s THR 29 Cb -0.39 -3.62 0.25 0.00 1.34 0.00 0.00 72.50 70.07 2jr2 s THR 29 CO 0.51 -0.87 1.68 -0.65 -0.54 0.00 0.00 174.62 174.75 2jr2 h PRO 30 N -0.54 0.28 -0.15 3.99 0.11 -1.99 0.44 132.00 134.15 2jr2 h PRO 30 Ca -0.45 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 2jr2 h PRO 30 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jr2 h PRO 30 CO 0.62 0.18 -0.71 0.38 -0.21 0.00 0.00 178.00 178.26 2jr2 h ASP 31 N 0.29 0.76 -0.55 -2.05 2.03 -2.00 -2.40 116.42 112.50 2jr2 h ASP 31 Ca 0.44 -0.48 -0.08 0.00 -0.73 0.00 0.00 57.03 56.18 2jr2 h ASP 31 Cb 0.78 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 39.03 2jr2 h ASP 31 CO -0.52 1.25 0.05 0.25 -1.03 0.00 0.00 179.24 179.23 2jr2 h LEU 32 N 0.46 0.94 -0.42 0.15 5.85 -1.65 -2.08 115.31 118.56 2jr2 h LEU 32 Ca -0.03 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.49 2jr2 h LEU 32 Cb 1.31 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2jr2 h LEU 32 CO 0.14 0.97 0.21 0.00 -0.34 0.00 0.00 178.44 179.43 2jr2 h ALA 33 N 1.13 0.53 -0.14 1.25 0.00 -0.05 -1.23 119.26 120.75 2jr2 h ALA 33 Ca 0.18 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2jr2 h ALA 33 Cb 0.47 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2jr2 h ALA 33 CO 0.02 -0.14 0.04 -0.07 0.00 0.00 0.00 179.25 179.10 2jr2 h LEU 34 N 0.43 0.04 -0.94 0.00 3.38 -1.11 0.19 115.31 117.31 2jr2 h LEU 34 Ca 0.18 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2jr2 h LEU 34 Cb 0.08 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2jr2 h LEU 34 CO -0.12 0.04 0.35 -0.03 0.09 0.00 0.00 178.44 178.78 2jr2 h MET 35 N 0.10 1.12 0.00 1.13 4.05 -1.13 0.20 114.93 120.40 2jr2 h MET 35 Ca 0.06 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2jr2 h MET 35 Cb 0.04 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.64 2jr2 h MET 35 CO -0.07 0.87 -0.00 0.00 0.23 0.00 0.00 176.91 177.94 2jr2 h LEU 37 N -0.80 0.29 -1.60 0.00 3.38 -0.57 -1.97 115.31 114.04 2jr2 h LEU 37 Ca -0.00 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2jr2 h LEU 37 Cb 0.80 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2jr2 h LEU 37 CO 0.00 0.49 0.28 1.23 0.09 0.00 0.00 178.44 180.53 2jr2 h GLY 38 N 0.08 0.58 0.87 0.83 0.00 -0.74 0.06 103.07 104.76 2jr2 h GLY 38 Ca 0.05 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 2jr2 h GLY 38 CO 0.01 0.21 -0.12 -0.57 0.00 0.00 0.00 176.54 176.06 2jr2 h ASN 39 N 0.56 0.56 -0.58 0.19 -0.73 -1.34 -2.67 115.58 111.57 2jr2 h ASN 39 Ca 0.15 -0.41 -0.00 0.00 1.87 0.00 0.00 56.30 57.92 2jr2 h ASN 39 Cb -0.05 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.36 2jr2 h ASN 39 CO -0.03 0.84 0.35 0.00 -0.37 0.00 0.00 177.43 178.23 2jr2 h ALA 40 N 0.74 1.51 -0.19 1.57 0.00 -0.50 -1.76 119.26 120.63 2jr2 h ALA 40 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jr2 h ALA 40 Cb 0.63 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jr2 h ALA 40 CO 0.04 0.42 0.10 0.28 0.00 0.00 0.00 179.25 180.09 2jr2 h VAL 41 N 0.81 1.11 0.00 0.00 2.07 -0.85 -2.13 116.25 117.26 2jr2 h VAL 41 Ca 0.21 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2jr2 h VAL 41 Cb -0.03 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2jr2 h VAL 41 CO -0.04 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.66 2jr2 h THR 42 N 0.19 0.00 -0.05 2.57 1.03 -1.11 -0.92 112.91 114.62 2jr2 h THR 42 Ca 0.07 -0.69 -0.19 0.00 -0.01 0.00 0.00 66.41 65.59 2jr2 h THR 42 Cb 0.08 1.67 -0.01 0.00 -1.07 0.00 0.00 68.15 68.83 2jr2 h THR 42 CO -0.01 0.00 -0.77 0.78 -0.01 0.00 0.00 175.52 175.51 2jr2 h ASN 43 N 0.00 0.43 -0.16 0.00 2.35 -1.06 -2.19 115.58 114.96 2jr2 h ASN 43 Ca 0.00 -0.30 -0.18 0.00 -0.55 0.00 0.00 56.30 55.28 2jr2 h ASN 43 Cb 0.72 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 2jr2 h ASN 43 CO 0.00 1.04 -0.56 0.40 -1.65 0.00 0.00 177.43 176.66 2jr2 h ILE 44 N 0.23 1.29 -0.08 2.81 1.08 -0.69 -2.95 117.51 119.19 2jr2 h ILE 44 Ca -0.04 -1.77 -0.02 0.00 -0.39 0.00 0.00 64.86 62.64 2jr2 h ILE 44 Cb 1.35 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.79 2jr2 h ILE 44 CO 0.13 0.57 -0.06 0.40 -0.69 0.00 0.00 178.15 178.50 2jr2 h ILE 45 N 0.57 1.10 0.00 -0.67 2.04 -1.13 -0.86 117.51 118.56 2jr2 h ILE 45 Ca 0.01 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2jr2 h ILE 45 Cb 1.14 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2jr2 h ILE 45 CO 0.12 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.40 2jr2 n ALA 46 N -2.51 2.20 0.03 1.87 0.00 -0.83 -2.69 120.51 118.57 2jr2 n ALA 46 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.34 2jr2 n ALA 46 Cb 0.18 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.27 0.63 -2.95 0.00 6.02 -0.33 -4.92 117.38 114.56 2jr2 n GLN 47 Ca 0.11 0.12 -0.24 0.00 -0.01 0.00 0.00 57.00 56.98 2jr2 n GLN 47 Cb 0.18 -1.74 0.01 0.00 1.02 0.00 0.00 30.24 29.71 2jr2 n GLN 47 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2jr2 s VAL 48 N -3.05 4.41 0.57 5.09 -7.23 -1.10 -5.07 120.40 114.03 2jr2 s VAL 48 Ca -0.04 -0.30 -0.20 0.00 -1.81 0.00 0.00 61.98 59.63 2jr2 s VAL 48 Cb 0.09 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 2jr2 s VAL 48 CO 0.82 -0.51 1.28 -2.16 -0.31 0.00 0.00 175.10 174.23 2jr2 s PRO 49 N -4.58 3.04 0.61 4.82 0.04 -1.26 -4.82 135.00 132.85 2jr2 s PRO 49 Ca 0.47 2.04 0.34 0.00 0.04 0.00 0.00 61.00 63.89 2jr2 s PRO 49 Cb -0.10 -2.10 1.99 0.00 0.04 0.00 0.00 34.50 34.33 2jr2 s PRO 49 CO 0.40 -1.21 2.28 0.93 0.04 0.00 0.00 177.00 179.44 2jr2 h GLU 50 N 1.19 0.00 -1.01 4.56 4.39 -1.97 -1.58 114.58 120.15 2jr2 h GLU 50 Ca -0.51 0.00 0.25 0.00 0.34 0.00 0.00 59.36 59.44 2jr2 h GLU 50 Cb 1.30 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.83 2jr2 h GLU 50 CO 0.56 0.00 0.61 1.03 -1.16 0.00 0.00 179.01 180.05 2jr2 h SER 51 N 0.00 0.66 -0.02 1.42 0.87 -2.01 -2.54 113.55 111.94 2jr2 h SER 51 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2jr2 h SER 51 Cb 0.02 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2jr2 h SER 51 CO -0.00 0.11 0.00 2.29 -0.53 0.00 0.00 176.83 178.70 2jr2 n LYS 52 N -4.85 0.67 0.03 2.24 2.85 -0.65 -4.68 118.16 113.78 2jr2 n LYS 52 Ca 0.27 -0.97 -0.12 0.00 -1.05 0.00 0.00 58.31 56.44 2jr2 n LYS 52 Cb 0.75 -1.03 -0.07 0.00 -0.65 0.00 0.00 35.03 34.04 2jr2 n LYS 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jr2 h ARG 53 N 0.25 0.03 0.00 -1.58 3.08 -0.96 0.24 114.38 115.44 2jr2 h ARG 53 Ca 0.00 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2jr2 h ARG 53 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2jr2 h ARG 53 CO 0.00 0.04 -0.37 0.28 -1.07 0.00 0.00 179.97 178.85 2jr2 h VAL 54 N 0.01 1.12 -0.04 2.04 2.07 -1.85 -2.76 116.25 116.85 2jr2 h VAL 54 Ca 0.01 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 2jr2 h VAL 54 Cb 0.02 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2jr2 h VAL 54 CO -0.00 0.36 -0.12 0.00 0.02 0.00 0.00 177.57 177.83 2jr2 h ALA 55 N 1.63 0.07 -0.41 1.67 0.00 -1.71 -2.55 119.26 117.95 2jr2 h ALA 55 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2jr2 h ALA 55 Cb 0.72 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2jr2 h ALA 55 CO 0.05 -0.04 0.03 -0.39 0.00 0.00 0.00 179.25 178.90 2jr2 h VAL 56 N -0.40 1.21 -0.09 0.00 -1.51 -0.47 0.18 116.25 115.17 2jr2 h VAL 56 Ca -0.00 -0.83 -0.20 0.00 -1.23 0.00 0.00 66.70 64.43 2jr2 h VAL 56 Cb 0.73 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 2jr2 h VAL 56 CO 0.02 0.29 -0.77 1.62 -1.23 0.00 0.00 177.57 177.50 2jr2 h VAL 57 N 0.62 1.35 -0.41 7.19 3.04 -1.56 0.13 116.25 126.60 2jr2 h VAL 57 Ca 0.13 -2.12 -0.14 0.00 -1.01 0.00 0.00 66.70 63.57 2jr2 h VAL 57 Cb 0.34 2.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.72 2jr2 h VAL 57 CO 0.01 0.65 -0.30 -0.78 -1.01 0.00 0.00 177.57 176.14 2jr2 h ASP 58 N 0.36 0.93 0.41 3.17 3.58 -1.04 -0.26 116.42 123.57 2jr2 h ASP 58 Ca -0.04 -0.38 -0.15 0.00 0.42 0.00 0.00 57.03 56.87 2jr2 h ASP 58 Cb 1.37 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 2jr2 h ASP 58 CO 0.14 1.15 -0.63 0.78 -2.88 0.00 0.00 179.24 177.81 2jr2 h ASN 59 N 0.76 0.24 0.35 2.28 2.35 -0.94 0.14 115.58 120.76 2jr2 h ASN 59 Ca 0.08 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2jr2 h ASN 59 Cb 0.86 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2jr2 h ASN 59 CO 0.08 0.81 -0.17 0.15 -1.65 0.00 0.00 177.43 176.64 2jr2 h PHE 60 N 0.15 -0.44 -0.52 1.19 3.57 -0.44 0.22 116.94 120.66 2jr2 h PHE 60 Ca -0.01 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 2jr2 h PHE 60 Cb 1.14 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 2jr2 h PHE 60 CO 0.02 -0.24 0.02 1.79 -2.23 0.00 0.00 178.31 177.67 2jr2 h THR 61 N -0.53 1.25 -0.13 4.41 1.35 -1.02 0.83 112.91 119.08 2jr2 h THR 61 Ca -0.05 -1.02 0.02 0.00 -0.55 0.00 0.00 66.41 64.81 2jr2 h THR 61 Cb 0.40 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 2jr2 h THR 61 CO 0.08 0.37 0.00 0.50 -0.25 0.00 0.00 175.52 176.22 2jr2 h LYS 62 N 0.81 0.05 -0.09 4.72 3.64 -0.56 -2.49 116.57 122.65 2jr2 h LYS 62 Ca 0.16 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2jr2 h LYS 62 Cb 0.46 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2jr2 h LYS 62 CO 0.02 0.03 -0.40 0.00 -2.27 0.00 0.00 179.45 176.83 2jr2 h ALA 63 N 1.11 1.17 0.68 5.00 0.00 -0.17 -1.41 119.26 125.63 2jr2 h ALA 63 Ca 0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2jr2 h ALA 63 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jr2 h ALA 63 CO -0.10 0.56 -0.44 -0.07 0.00 0.00 0.00 179.25 179.20 2jr2 h LEU 64 N 0.16 -1.13 -1.40 0.00 3.38 -0.57 0.18 115.31 115.93 2jr2 h LEU 64 Ca 0.02 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2jr2 h LEU 64 Cb 0.78 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2jr2 h LEU 64 CO 0.06 -0.66 -0.12 0.11 0.09 0.00 0.00 178.44 177.92 2jr2 h LYS 65 N -1.05 0.25 -0.83 1.13 1.57 -1.43 0.23 116.57 116.43 2jr2 h LYS 65 Ca -0.09 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2jr2 h LYS 65 Cb 0.85 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 2jr2 h LYS 65 CO 0.07 0.38 0.51 0.37 -0.57 0.00 0.00 179.45 180.21 2jr2 h GLN 66 N 0.24 1.12 0.14 3.15 4.15 -1.06 -1.45 115.11 121.40 2jr2 h GLN 66 Ca 0.05 -0.09 -0.34 0.00 0.77 0.00 0.00 58.65 59.03 2jr2 h GLN 66 Cb 0.36 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2jr2 h GLN 66 CO 0.02 0.78 -1.81 0.77 -1.93 0.00 0.00 178.83 176.66 2jr2 h SER 67 N 1.14 0.46 -0.07 -0.69 0.02 0.01 -3.23 113.55 111.20 2jr2 h SER 67 Ca 0.30 -0.92 -0.01 0.00 -0.84 0.00 0.00 61.79 60.32 2jr2 h SER 67 Cb -0.06 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 2jr2 h SER 67 CO -0.06 1.79 -0.00 0.58 -1.14 0.00 0.00 176.83 178.01 2jr2 h VAL 68 N -0.02 1.25 0.00 2.27 2.07 -0.58 -1.88 116.25 119.36 2jr2 h VAL 68 Ca -0.38 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 2jr2 h VAL 68 Cb 1.99 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2jr2 h VAL 68 CO 0.10 0.22 -0.03 -0.07 0.02 0.00 0.00 177.57 177.80 2jr2 h LEU 69 N -0.17 0.00 -1.13 2.57 3.38 -1.46 -2.70 115.31 115.81 2jr2 h LEU 69 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jr2 h LEU 69 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2jr2 h LEU 69 CO 0.00 0.03 -0.21 1.21 0.09 0.00 0.00 178.44 179.57 2jr2 n GLU 70 N -3.12 1.51 -0.35 1.13 4.07 -1.17 -4.03 120.64 118.67 2jr2 n GLU 70 Ca 0.02 -1.13 0.04 0.00 -0.06 0.00 0.00 57.16 56.04 2jr2 n GLU 70 Cb 0.41 -1.48 0.19 0.00 -0.06 0.00 0.00 31.44 30.51 2jr2 n GLU 70 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2jr2 n HIS 71 N 0.24 0.84 -2.19 4.31 -0.00 -0.72 -4.78 115.22 112.92 2jr2 n HIS 71 Ca 0.13 -0.32 -0.40 0.00 0.46 0.00 0.00 57.72 57.59 2jr2 n HIS 71 Cb 0.45 -0.19 -0.03 0.00 -0.12 0.00 0.00 29.99 30.10 2jr2 n HIS 71 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jr2 s HIS 72 N -1.74 1.90 -0.16 1.57 5.04 -1.26 -4.97 115.29 115.67 2jr2 s HIS 72 Ca 0.26 0.57 -0.05 0.00 -1.54 0.00 0.00 55.06 54.30 2jr2 s HIS 72 Cb 0.18 -4.25 -0.03 0.00 0.04 0.00 0.00 32.58 28.52 2jr2 s HIS 72 CO 0.11 -2.25 0.01 -1.58 -2.34 0.00 0.00 174.74 168.68 2jr2 s HIS 73 N 7.75 3.13 0.15 3.88 2.46 -1.26 -5.09 115.29 126.31 2jr2 s HIS 73 Ca 0.60 -0.12 -0.25 0.00 0.47 0.00 0.00 55.06 55.75 2jr2 s HIS 73 Cb -0.12 -2.00 -0.08 0.00 -0.13 0.00 0.00 32.58 30.25 2jr2 s HIS 73 CO 0.21 0.07 0.77 -1.58 -2.47 0.00 0.00 174.74 171.74 2jr2 s HIS 74 N 0.31 3.89 0.00 3.88 5.04 -1.26 -5.03 115.29 122.12 2jr2 s HIS 74 Ca -0.01 1.62 0.00 0.00 -1.54 0.00 0.00 55.06 55.13 2jr2 s HIS 74 Cb -0.13 -2.77 0.00 0.00 0.04 0.00 0.00 32.58 29.72 2jr2 s HIS 74 CO 0.02 0.50 0.10 0.72 -2.34 0.00 0.00 174.74 173.73 2jr2 n HIS 75 N 1.69 0.00 -1.56 3.88 8.25 -1.26 -5.32 115.22 120.90 2jr2 n HIS 75 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2jr2 n HIS 75 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 2jr2 n HIS 75 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56