#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jee s SER 4 N 0.00 5.11 0.00 6.12 1.04 -1.26 -4.85 113.70 119.86 2jee s SER 4 Ca 0.00 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.58 2jee s SER 4 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2jee s SER 4 CO 0.00 -1.64 0.53 -0.11 0.98 0.00 0.00 173.24 173.01 2jee n LEU 5 N -2.10 0.00 -0.13 2.42 0.00 -1.26 -1.87 117.00 114.05 2jee n LEU 5 Ca 0.12 0.09 -0.27 0.00 0.00 0.00 0.00 56.01 55.95 2jee n LEU 5 Cb 0.51 -0.09 -0.10 0.00 0.00 0.00 0.00 43.42 43.74 2jee n LEU 5 CO 0.46 -0.09 -1.23 1.21 0.00 0.00 0.00 177.39 177.74 2jee n GLU 6 N -1.03 0.58 0.03 1.96 0.00 -1.26 -3.38 120.64 117.54 2jee n GLU 6 Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 57.16 57.38 2jee n GLU 6 Cb 0.02 -1.54 -0.05 0.00 0.00 0.00 0.00 31.44 29.87 2jee n GLU 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2jee h VAL 7 N -1.00 0.75 -0.36 6.31 2.07 -1.73 -3.04 116.25 119.24 2jee h VAL 7 Ca -0.60 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.00 2jee h VAL 7 Cb 1.51 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.95 2jee h VAL 7 CO -0.36 0.00 -0.27 0.15 0.02 0.00 0.00 177.57 177.10 2jee h PHE 8 N -0.15 -0.74 0.00 1.57 3.57 -1.67 -2.83 116.94 116.69 2jee h PHE 8 Ca 0.05 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 2jee h PHE 8 Cb 0.21 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2jee h PHE 8 CO -0.18 -0.35 -0.43 0.93 -2.23 0.00 0.00 178.31 176.06 2jee h GLU 9 N -0.22 0.00 0.00 1.11 5.08 -1.59 0.47 114.58 119.42 2jee h GLU 9 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2jee h GLU 9 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2jee h GLU 9 CO -0.49 0.43 0.00 -0.22 -1.00 0.00 0.00 179.01 177.74 2jee h LYS 10 N 0.00 0.00 0.00 2.33 3.64 -1.40 -3.11 116.57 118.03 2jee h LYS 10 Ca -0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 2jee h LYS 10 Cb 0.94 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 2jee h LYS 10 CO 0.06 0.00 -1.25 1.28 -2.27 0.00 0.00 179.45 177.27 2jee n LEU 11 N -2.96 1.86 -0.14 5.20 4.77 -0.55 -3.71 117.00 121.47 2jee n LEU 11 Ca 0.01 0.45 0.28 0.00 -0.03 0.00 0.00 56.01 56.73 2jee n LEU 11 Cb 0.32 -0.92 0.69 0.00 -2.33 0.00 0.00 43.42 41.18 2jee n LEU 11 CO 0.27 0.14 1.26 -0.08 -1.33 0.00 0.00 177.39 177.64 2jee h GLU 12 N -1.00 0.00 0.00 3.23 4.81 -1.07 0.82 114.58 121.37 2jee h GLU 12 Ca -0.31 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.75 2jee h GLU 12 Cb 1.17 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 2jee h GLU 12 CO -0.19 0.00 -1.17 0.00 -0.73 0.00 0.00 179.01 176.92 2jee h ALA 13 N 1.27 0.64 0.03 2.92 0.00 -1.70 -3.01 119.26 119.41 2jee h ALA 13 Ca 0.41 -0.85 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 2jee h ALA 13 Cb 1.94 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 2jee h ALA 13 CO -0.00 0.99 -0.98 0.87 0.00 0.00 0.00 179.25 180.13 2jee h LYS 14 N 0.00 0.18 -0.20 0.00 1.57 -0.98 -3.04 116.57 114.11 2jee h LYS 14 Ca -0.12 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2jee h LYS 14 Cb 1.62 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.00 2jee h LYS 14 CO 0.07 1.02 0.11 0.28 -0.57 0.00 0.00 179.45 180.36 2jee h VAL 15 N 0.08 1.10 -0.18 0.50 2.07 -1.24 -0.57 116.25 118.01 2jee h VAL 15 Ca -0.06 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.22 2jee h VAL 15 Cb 1.65 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 2jee h VAL 15 CO 0.15 0.10 -0.16 -0.61 0.02 0.00 0.00 177.57 177.06 2jee h GLN 16 N 0.22 -0.07 -0.95 1.57 5.75 -1.57 0.83 115.11 120.89 2jee h GLN 16 Ca 0.07 0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.72 2jee h GLN 16 Cb 0.05 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.53 2jee h GLN 16 CO -0.01 -0.05 0.56 0.37 -2.65 0.00 0.00 178.83 177.05 2jee h GLN 17 N -0.07 0.79 -0.36 1.69 4.15 -1.39 0.70 115.11 120.63 2jee h GLN 17 Ca 0.03 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.42 2jee h GLN 17 Cb 0.15 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 2jee h GLN 17 CO -0.21 0.52 0.19 0.00 -1.93 0.00 0.00 178.83 177.40 2jee h ALA 18 N 1.56 0.44 -0.41 3.38 0.00 -0.81 -3.01 119.26 120.42 2jee h ALA 18 Ca 0.50 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.33 2jee h ALA 18 Cb 0.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2jee h ALA 18 CO -0.32 -0.18 -0.11 0.82 0.00 0.00 0.00 179.25 179.46 2jee h ILE 19 N 0.38 1.25 0.00 0.00 2.04 0.25 -2.43 117.51 119.00 2jee h ILE 19 Ca 0.15 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2jee h ILE 19 Cb 0.04 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2jee h ILE 19 CO -0.09 0.39 0.00 0.47 0.00 0.00 0.00 178.15 178.92 2jee n ASP 20 N -4.17 0.00 0.00 1.72 10.43 0.19 -1.84 116.55 122.88 2jee n ASP 20 Ca 0.01 0.05 0.00 0.00 2.57 0.00 0.00 54.79 57.42 2jee n ASP 20 Cb 0.36 -0.07 0.00 0.00 1.84 0.00 0.00 41.12 43.25 2jee n ASP 20 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 2jee n THR 21 N -1.07 0.00 -0.31 -3.53 -1.04 -0.95 -2.69 114.28 104.69 2jee n THR 21 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.15 2jee n THR 21 Cb 0.00 -0.39 0.26 0.00 -1.82 0.00 0.00 70.33 68.39 2jee n THR 21 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2jee n ILE 22 N -2.13 -0.38 0.00 12.58 2.08 -0.98 0.20 119.36 130.73 2jee n ILE 22 Ca 0.00 1.98 0.00 0.00 0.56 0.00 0.00 62.75 65.29 2jee n ILE 22 Cb 0.24 -2.90 0.00 0.00 -0.75 0.00 0.00 39.64 36.23 2jee n ILE 22 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2jee n THR 23 N -5.32 0.00 0.00 1.39 -1.04 -0.77 -1.28 114.28 107.26 2jee n THR 23 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 2jee n THR 23 Cb 0.69 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 2jee n THR 23 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2jee n LEU 24 N 0.00 0.00 -0.18 -4.42 7.94 -1.10 0.42 117.00 119.66 2jee n LEU 24 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 2jee n LEU 24 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 2jee n LEU 24 CO 0.00 0.00 1.00 -0.07 -1.11 0.00 0.00 177.39 177.21 2jee h LEU 25 N 0.00 0.29 -1.47 -1.96 3.38 -0.37 0.12 115.31 115.30 2jee h LEU 25 Ca 0.00 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2jee h LEU 25 Cb 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2jee h LEU 25 CO 0.00 0.19 0.39 -0.61 0.09 0.00 0.00 178.44 178.51 2jee h GLN 26 N 0.44 0.67 0.65 1.13 5.75 0.96 0.12 115.11 124.84 2jee h GLN 26 Ca 0.25 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.68 2jee h GLN 26 Cb 0.23 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 28.63 2jee h GLN 26 CO -0.22 0.44 -0.31 0.52 -2.65 0.00 0.00 178.83 176.61 2jee h MET 27 N 0.69 -0.84 -0.96 1.69 2.86 -0.69 -0.55 114.93 117.12 2jee h MET 27 Ca 0.24 0.06 0.21 0.00 -2.06 0.00 0.00 59.70 58.15 2jee h MET 27 Cb 0.10 0.19 -0.08 0.00 0.06 0.00 0.00 31.60 31.87 2jee h MET 27 CO -0.07 -0.56 0.62 0.93 1.06 0.00 0.00 176.91 178.90 2jee h GLU 28 N -0.89 0.49 0.40 1.72 5.08 -0.03 -0.64 114.58 120.70 2jee h GLU 28 Ca -0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2jee h GLU 28 Cb 0.68 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2jee h GLU 28 CO 0.15 0.32 -0.19 0.82 -1.00 0.00 0.00 179.01 179.11 2jee h ILE 29 N 0.50 0.59 -1.01 3.13 1.08 -0.67 -2.77 117.51 118.37 2jee h ILE 29 Ca 0.52 -0.30 0.23 0.00 -0.39 0.00 0.00 64.86 64.92 2jee h ILE 29 Cb 1.16 0.74 -0.11 0.00 -3.07 0.00 0.00 36.82 35.53 2jee h ILE 29 CO -0.25 0.06 0.61 -0.08 -0.69 0.00 0.00 178.15 177.80 2jee h GLU 30 N -0.72 0.57 -0.30 2.37 4.57 0.26 0.18 114.58 121.52 2jee h GLU 30 Ca -0.06 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 57.97 2jee h GLU 30 Cb 0.51 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2jee h GLU 30 CO 0.09 0.38 -0.30 0.93 -1.18 0.00 0.00 179.01 178.94 2jee h GLU 31 N 0.59 0.61 0.15 1.92 5.08 -1.11 -2.88 114.58 118.94 2jee h GLU 31 Ca 0.61 -0.26 -0.29 0.00 -1.00 0.00 0.00 59.36 58.42 2jee h GLU 31 Cb 1.19 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.44 2jee h GLU 31 CO -0.41 0.84 -1.27 -0.07 -1.00 0.00 0.00 179.01 177.10 2jee h LEU 32 N 0.53 0.65 -2.15 1.33 3.38 -0.83 0.11 115.31 118.33 2jee h LEU 32 Ca 0.07 -0.65 0.05 0.00 0.09 0.00 0.00 57.88 57.44 2jee h LEU 32 Cb 0.78 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2jee h LEU 32 CO 0.06 1.49 0.29 0.50 0.09 0.00 0.00 178.44 180.88 2jee h LYS 33 N 0.15 0.00 0.00 1.13 3.64 -0.69 -1.22 116.57 119.58 2jee h LYS 33 Ca -0.17 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.85 2jee h LYS 33 Cb 1.97 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.73 2jee h LYS 33 CO 0.23 0.00 -2.32 -1.91 -2.27 0.00 0.00 179.45 173.18 2jee n GLU 34 N -3.44 0.57 0.30 1.90 2.13 -1.09 -3.11 120.64 117.88 2jee n GLU 34 Ca 0.02 0.15 0.17 0.00 0.66 0.00 0.00 57.16 58.16 2jee n GLU 34 Cb 0.41 -1.45 0.91 0.00 0.27 0.00 0.00 31.44 31.58 2jee n GLU 34 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2jee h LYS 35 N -0.14 0.00 0.10 5.31 1.63 -0.55 -0.38 116.57 122.54 2jee h LYS 35 Ca -0.53 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 58.94 2jee h LYS 35 Cb 1.76 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.37 2jee h LYS 35 CO -0.13 0.04 -1.80 -0.97 -3.45 0.00 0.00 179.45 173.15 2jee h ASN 36 N 0.00 0.34 0.06 4.20 -1.24 -1.38 -3.07 115.58 114.48 2jee h ASN 36 Ca -0.00 -0.64 -0.06 0.00 0.71 0.00 0.00 56.30 56.31 2jee h ASN 36 Cb 0.20 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 2jee h ASN 36 CO 0.01 1.56 -0.18 -1.13 -1.29 0.00 0.00 177.43 176.40 2jee h ASN 37 N 0.06 0.24 -0.50 1.15 -1.24 -1.36 0.16 115.58 114.08 2jee h ASN 37 Ca -0.34 -0.06 -0.06 0.00 0.71 0.00 0.00 56.30 56.55 2jee h ASN 37 Cb 2.03 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 41.00 2jee h ASN 37 CO 0.11 0.44 0.08 -1.28 -1.29 0.00 0.00 177.43 175.49 2jee h SER 38 N 0.23 0.80 0.40 1.15 0.87 -1.18 -2.32 113.55 113.51 2jee h SER 38 Ca 0.04 -0.26 -0.20 0.00 -1.23 0.00 0.00 61.79 60.14 2jee h SER 38 Cb 0.46 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2jee h SER 38 CO 0.03 0.86 -0.82 -0.07 -0.53 0.00 0.00 176.83 176.30 2jee h LEU 39 N 0.71 0.40 -0.17 2.23 3.38 -1.35 -2.04 115.31 118.47 2jee h LEU 39 Ca 0.15 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2jee h LEU 39 Cb 0.41 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2jee h LEU 39 CO 0.01 1.06 -0.13 -1.28 0.09 0.00 0.00 178.44 178.19 2jee h SER 40 N 0.20 -0.41 -0.79 -0.43 0.87 -0.72 -0.64 113.55 111.63 2jee h SER 40 Ca -0.05 0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.66 2jee h SER 40 Cb 1.42 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 63.54 2jee h SER 40 CO 0.13 -0.17 0.52 -0.61 -0.53 0.00 0.00 176.83 176.17 2jee h GLN 41 N -0.14 0.84 -0.02 2.24 5.75 -1.22 -2.48 115.11 120.08 2jee h GLN 41 Ca 0.10 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2jee h GLN 41 Cb 0.29 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 2jee h GLN 41 CO -0.25 0.55 -0.01 1.49 -2.65 0.00 0.00 178.83 177.97 2jee h GLU 42 N 0.86 0.04 0.00 1.69 4.81 -0.95 -2.59 114.58 118.45 2jee h GLU 42 Ca 0.34 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2jee h GLU 42 Cb 0.23 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2jee h GLU 42 CO -0.12 0.41 0.05 0.28 -0.73 0.00 0.00 179.01 178.90 2jee n VAL 43 N -4.87 1.66 -0.07 0.32 0.31 -0.28 -0.98 118.33 114.41 2jee n VAL 43 Ca -0.08 0.47 -0.17 0.00 -0.01 0.00 0.00 64.34 64.55 2jee n VAL 43 Cb 0.21 -1.47 -0.13 0.00 -0.91 0.00 0.00 33.84 31.54 2jee n VAL 43 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jee n GLN 44 N -1.41 0.69 0.19 5.55 7.27 -0.97 -3.15 117.38 125.54 2jee n GLN 44 Ca 0.00 0.18 0.09 0.00 0.07 0.00 0.00 57.00 57.33 2jee n GLN 44 Cb 0.05 -1.61 0.12 0.00 2.41 0.00 0.00 30.24 31.21 2jee n GLN 44 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 2jee h ASN 45 N 0.02 0.00 0.15 1.69 4.21 -0.98 -0.54 115.58 120.13 2jee h ASN 45 Ca -0.49 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 56.83 2jee h ASN 45 Cb 2.01 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.21 2jee h ASN 45 CO 0.00 0.18 -0.70 0.00 -1.29 0.00 0.00 177.43 175.63 2jee h ALA 46 N 1.82 0.57 0.04 -0.83 0.00 -1.22 -2.35 119.26 117.29 2jee h ALA 46 Ca -0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 2jee h ALA 46 Cb 1.13 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2jee h ALA 46 CO 0.02 0.74 -0.53 0.37 0.00 0.00 0.00 179.25 179.85 2jee h GLN 47 N 0.34 0.28 0.00 0.00 5.75 -1.48 -0.65 115.11 119.36 2jee h GLN 47 Ca -0.03 -0.36 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 2jee h GLN 47 Cb 1.28 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.95 2jee h GLN 47 CO 0.13 1.09 0.00 1.25 -2.65 0.00 0.00 178.83 178.65 2jee h HIS 48 N -0.36 0.00 0.11 3.99 2.76 -1.19 -1.33 115.15 119.13 2jee h HIS 48 Ca -0.08 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.74 2jee h HIS 48 Cb 1.31 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.25 2jee h HIS 48 CO 0.18 0.00 -1.96 0.94 -1.30 0.00 0.00 177.93 175.79 2jee n GLN 49 N -2.93 0.74 -0.16 5.26 7.27 -0.88 -3.93 117.38 122.74 2jee n GLN 49 Ca -0.01 0.29 -0.08 0.00 0.07 0.00 0.00 57.00 57.26 2jee n GLN 49 Cb 0.15 -1.70 0.01 0.00 2.41 0.00 0.00 30.24 31.11 2jee n GLN 49 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jee h ARG 50 N -0.04 0.65 0.00 3.69 3.08 -0.73 -1.67 114.38 119.36 2jee h ARG 50 Ca -0.43 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2jee h ARG 50 Cb 1.96 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.87 2jee h ARG 50 CO 0.05 0.50 0.00 -1.91 -1.07 0.00 0.00 179.97 177.54 2jee n GLU 51 N -4.69 0.28 -0.00 0.04 2.13 -0.53 -2.16 120.64 115.71 2jee n GLU 51 Ca 0.02 0.10 0.03 0.00 0.66 0.00 0.00 57.16 57.96 2jee n GLU 51 Cb 0.07 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.25 2jee n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jee n GLU 52 N -1.17 3.91 -0.05 5.31 2.13 -0.72 -4.13 120.64 125.92 2jee n GLU 52 Ca 0.08 -0.01 -0.01 0.00 0.66 0.00 0.00 57.16 57.88 2jee n GLU 52 Cb 0.08 -0.86 -0.00 0.00 0.27 0.00 0.00 31.44 30.93 2jee n GLU 52 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2jee h LEU 53 N 0.00 0.00 -1.07 4.31 3.38 -0.82 -3.19 115.31 117.92 2jee h LEU 53 Ca 0.00 -0.03 0.31 0.00 0.09 0.00 0.00 57.88 58.25 2jee h LEU 53 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2jee h LEU 53 CO 0.00 0.53 1.00 -0.62 0.09 0.00 0.00 178.44 179.44 2jee n GLU 54 N -4.76 0.01 0.00 1.13 1.02 -0.99 -0.03 120.64 117.02 2jee n GLU 54 Ca -0.01 0.80 -0.22 0.00 -0.02 0.00 0.00 57.16 57.71 2jee n GLU 54 Cb 0.03 -1.94 -0.14 0.00 -0.02 0.00 0.00 31.44 29.38 2jee n GLU 54 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2jee h ARG 55 N 0.00 0.24 -0.49 3.49 2.43 -1.72 -3.09 114.38 115.24 2jee h ARG 55 Ca 0.51 -0.42 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 2jee h ARG 55 Cb 2.50 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 32.19 2jee h ARG 55 CO -0.01 1.20 -0.18 1.49 -1.51 0.00 0.00 179.97 180.97 2jee h GLU 56 N -0.22 0.97 -0.24 0.20 4.57 -0.71 -1.42 114.58 117.74 2jee h GLU 56 Ca -0.35 -0.39 0.05 0.00 -1.18 0.00 0.00 59.36 57.49 2jee h GLU 56 Cb 1.84 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 30.33 2jee h GLU 56 CO 0.05 1.06 -0.11 -0.97 -1.18 0.00 0.00 179.01 177.87 2jee h ASN 57 N 0.85 -0.36 -0.71 1.04 -0.73 -0.60 -1.24 115.58 113.83 2jee h ASN 57 Ca 0.12 0.09 -0.06 0.00 1.87 0.00 0.00 56.30 58.33 2jee h ASN 57 Cb 0.74 0.21 -0.03 0.00 0.27 0.00 0.00 38.32 39.50 2jee h ASN 57 CO 0.06 -0.14 0.23 0.78 -0.37 0.00 0.00 177.43 177.99 2jee h ASN 58 N -0.07 1.03 -0.87 1.15 -0.26 -1.50 -1.36 115.58 113.70 2jee h ASN 58 Ca 0.13 -0.19 0.07 0.00 -0.56 0.00 0.00 56.30 55.75 2jee h ASN 58 Cb 0.26 -0.27 -0.07 0.00 -1.06 0.00 0.00 38.32 37.19 2jee h ASN 58 CO -0.29 0.95 0.54 -0.74 -1.06 0.00 0.00 177.43 176.83 2jee h HIS 59 N 1.06 0.98 0.29 1.19 2.76 -0.82 -2.66 115.15 117.96 2jee h HIS 59 Ca 0.23 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 2jee h HIS 59 Cb 0.29 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.94 2jee h HIS 59 CO 0.02 0.47 -0.14 -0.07 -1.30 0.00 0.00 177.93 176.91 2jee h LEU 60 N 0.95 -0.33 -1.10 0.26 3.38 -0.93 -2.10 115.31 115.43 2jee h LEU 60 Ca 0.39 -0.05 0.43 0.00 0.09 0.00 0.00 57.88 58.74 2jee h LEU 60 Cb 0.24 0.09 -0.17 0.00 0.09 0.00 0.00 40.66 40.91 2jee h LEU 60 CO -0.20 0.14 0.64 1.17 0.09 0.00 0.00 178.44 180.27 2jee n LYS 61 N -5.04 -0.05 0.02 1.13 3.00 -0.54 0.69 118.16 117.38 2jee n LYS 61 Ca -0.06 1.32 -0.12 0.00 -0.00 0.00 0.00 58.31 59.45 2jee n LYS 61 Cb 0.19 -2.45 -0.09 0.00 0.00 0.00 0.00 35.03 32.68 2jee n LYS 61 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2jee h GLU 62 N 0.00 -0.10 -0.06 1.64 4.81 -1.52 -0.95 114.58 118.39 2jee h GLU 62 Ca 0.85 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 60.10 2jee h GLU 62 Cb 2.40 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.80 2jee h GLU 62 CO -0.67 0.39 0.06 0.37 -0.73 0.00 0.00 179.01 178.43 2jee h GLN 63 N -0.67 0.00 0.19 1.92 4.15 0.22 0.67 115.11 121.59 2jee h GLN 63 Ca -0.01 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.07 2jee h GLN 63 Cb 0.54 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.25 2jee h GLN 63 CO 0.02 0.00 -1.64 0.37 -1.93 0.00 0.00 178.83 175.65 2jee h GLN 64 N 0.00 0.40 0.00 1.69 4.15 0.31 -2.39 115.11 119.27 2jee h GLN 64 Ca 0.03 -0.68 -0.01 0.00 0.77 0.00 0.00 58.65 58.77 2jee h GLN 64 Cb 0.14 0.25 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 2jee h GLN 64 CO -0.00 1.30 -0.03 -0.91 -1.93 0.00 0.00 178.83 177.26 2jee h ASN 65 N 0.11 0.00 0.00 -0.69 -0.26 -0.91 0.18 115.58 114.01 2jee h ASN 65 Ca -0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 2jee h ASN 65 Cb 2.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.36 2jee h ASN 65 CO 0.20 0.03 0.00 0.61 -1.06 0.00 0.00 177.43 177.21 2jee n GLY 66 N -0.85 -2.88 0.40 2.83 0.00 0.21 -3.69 105.19 101.21 2jee n GLY 66 Ca -0.02 0.13 0.18 0.00 0.00 0.00 0.00 46.02 46.31 2jee n GLY 66 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2jee h TRP 67 N 0.00 0.48 0.00 1.61 4.06 -1.20 -1.42 115.95 119.47 2jee h TRP 67 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2jee h TRP 67 Cb 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.01 2jee h TRP 67 CO 0.01 0.15 0.19 0.37 -3.56 0.00 0.00 178.44 175.60 2jee h GLN 68 N 0.38 0.00 0.00 0.49 5.75 -0.72 0.42 115.11 121.43 2jee h GLN 68 Ca 0.43 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.55 2jee h GLN 68 Cb 1.08 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.58 2jee h GLN 68 CO -0.14 0.00 -2.29 0.39 -2.65 0.00 0.00 178.83 174.14 2jee n GLU 69 N -2.68 0.51 -0.13 1.69 1.02 -0.56 -3.50 120.64 116.98 2jee n GLU 69 Ca -0.02 0.19 0.28 0.00 -0.02 0.00 0.00 57.16 57.59 2jee n GLU 69 Cb 0.24 -1.36 0.66 0.00 -0.02 0.00 0.00 31.44 30.96 2jee n GLU 69 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2jee h ARG 70 N -0.60 0.00 0.06 3.49 1.12 -1.16 0.84 114.38 118.14 2jee h ARG 70 Ca -0.56 0.00 -0.24 0.00 -1.11 0.00 0.00 59.98 58.07 2jee h ARG 70 Cb 1.59 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.54 2jee h ARG 70 CO -0.28 0.00 -1.07 1.25 -3.11 0.00 0.00 179.97 176.76 2jee h LEU 71 N 0.00 0.34 0.19 3.80 5.85 -0.33 -2.08 115.31 123.07 2jee h LEU 71 Ca 0.41 -0.33 -0.31 0.00 0.84 0.00 0.00 57.88 58.49 2jee h LEU 71 Cb 2.04 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 42.98 2jee h LEU 71 CO -0.00 1.20 -1.38 -0.61 -0.34 0.00 0.00 178.44 177.30 2jee h GLN 72 N 0.09 0.39 0.02 1.25 4.15 0.04 -2.46 115.11 118.60 2jee h GLN 72 Ca -0.09 -0.67 0.00 0.00 0.77 0.00 0.00 58.65 58.66 2jee h GLN 72 Cb 1.77 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 29.70 2jee h GLN 72 CO 0.17 1.32 -0.09 0.00 -1.93 0.00 0.00 178.83 178.30 2jee h ALA 73 N 0.38 -0.64 -1.49 3.38 0.00 0.25 -2.52 119.26 118.62 2jee h ALA 73 Ca -0.20 -0.02 0.50 0.00 0.00 0.00 0.00 54.91 55.19 2jee h ALA 73 Cb 2.07 0.51 -0.13 0.00 0.00 0.00 0.00 17.79 20.24 2jee h ALA 73 CO 0.23 -0.66 0.98 -0.07 0.00 0.00 0.00 179.25 179.73 2jee h LEU 74 N -0.13 0.16 0.06 0.00 3.38 -1.39 0.10 115.31 117.50 2jee h LEU 74 Ca -0.00 0.13 -0.28 0.00 0.09 0.00 0.00 57.88 57.82 2jee h LEU 74 Cb 0.13 0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.03 2jee h LEU 74 CO -0.05 -0.22 -1.20 -0.07 0.09 0.00 0.00 178.44 177.00 2jee h LEU 75 N 0.00 0.65 -0.22 1.67 3.38 -1.23 -3.00 115.31 116.56 2jee h LEU 75 Ca 0.90 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 2jee h LEU 75 Cb 3.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 43.55 2jee h LEU 75 CO -0.39 1.45 0.13 1.23 0.09 0.00 0.00 178.44 180.94 2jee h GLY 76 N 0.92 0.32 0.68 0.83 0.00 -0.37 -0.88 103.07 104.58 2jee h GLY 76 Ca -0.15 -0.14 0.15 0.00 0.00 0.00 0.00 47.33 47.19 2jee h GLY 76 CO 0.21 0.13 0.50 -0.09 0.00 0.00 0.00 176.54 177.30 2jee h ARG 77 N 0.26 0.40 0.00 4.80 2.43 -1.56 -2.24 114.38 118.48 2jee h ARG 77 Ca 0.08 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.06 2jee h ARG 77 Cb 0.04 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2jee h ARG 77 CO -0.01 0.27 -0.80 1.98 -1.51 0.00 0.00 179.97 179.89 2jee h MET 78 N 0.41 0.00 -0.07 0.20 4.05 -1.30 -3.28 114.93 114.94 2jee h MET 78 Ca 0.37 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.79 2jee h MET 78 Cb 0.85 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 2jee h MET 78 CO -0.12 0.80 0.00 0.39 0.23 0.00 0.00 176.91 178.21 2jee n GLU 79 N -3.40 1.56 0.00 0.39 1.02 -0.37 -4.82 120.64 115.02 2jee n GLU 79 Ca 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.31 2jee n GLU 79 Cb 0.82 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 2jee n GLU 79 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jee n GLU 80 N 0.03 0.00 0.00 3.49 1.02 -1.08 -5.07 120.64 119.03 2jee n GLU 80 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2jee n GLU 80 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 2jee n GLU 80 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59