#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3x n GLY 2 N 0.00 0.56 0.25 -5.12 0.00 -1.26 -5.05 105.19 94.57 1j3x n GLY 2 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1j3x n GLY 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j3x n LYS 3 N 0.00 0.31 0.00 1.61 4.81 -1.26 -5.01 118.16 118.62 1j3x n LYS 3 Ca 0.00 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1j3x n LYS 3 Cb 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 33.89 1j3x n LYS 3 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j3x n GLY 4 N 2.61 0.81 0.75 3.14 0.00 -1.26 -5.01 105.19 106.23 1j3x n GLY 4 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1j3x n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j3x n ASP 5 N 0.00 -1.43 -0.02 1.61 8.00 -1.26 -4.77 116.55 118.68 1j3x n ASP 5 Ca 0.00 0.62 -0.17 0.00 0.71 0.00 0.00 54.79 55.96 1j3x n ASP 5 Cb 0.00 1.64 -0.09 0.00 -0.02 0.00 0.00 41.12 42.65 1j3x n ASP 5 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1j3x h PRO 6 N 0.00 0.55 0.00 -0.24 0.13 -2.04 -3.38 132.00 127.02 1j3x h PRO 6 Ca 0.00 -0.48 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1j3x h PRO 6 Cb 0.00 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 1j3x h PRO 6 CO 0.00 1.11 -1.27 0.09 -0.23 0.00 0.00 178.00 177.69 1j3x n ASN 7 N -4.17 3.89 -3.42 1.44 3.02 -1.26 -5.06 115.26 109.70 1j3x n ASN 7 Ca -0.09 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.29 1j3x n ASN 7 Cb 0.65 0.86 0.03 0.00 -0.61 0.00 0.00 39.78 40.70 1j3x n ASN 7 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1j3x n LYS 8 N -1.97 -1.47 -1.31 3.52 4.81 -1.26 -4.98 118.16 115.50 1j3x n LYS 8 Ca -0.05 0.93 -0.30 0.00 -0.87 0.00 0.00 58.31 58.02 1j3x n LYS 8 Cb 0.44 -4.62 0.24 0.00 0.02 0.00 0.00 35.03 31.11 1j3x n LYS 8 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1j3x n PRO 9 N -2.95 -2.63 -3.16 1.64 -0.04 -1.26 -4.78 135.00 121.83 1j3x n PRO 9 Ca -0.10 -1.86 -0.21 0.00 -0.04 0.00 0.00 63.50 61.29 1j3x n PRO 9 Cb 0.58 -1.58 0.04 0.00 -0.04 0.00 0.00 33.50 32.51 1j3x n PRO 9 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1j3x n ARG 10 N -4.58 0.65 -0.03 0.54 1.85 -1.26 -4.57 116.66 109.26 1j3x n ARG 10 Ca 0.16 -3.08 -0.01 0.00 -1.00 0.00 0.00 57.85 53.92 1j3x n ARG 10 Cb 0.59 -0.04 0.01 0.00 -1.05 0.00 0.00 32.46 31.97 1j3x n ARG 10 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1j3x n GLY 11 N -1.63 -2.57 0.00 2.89 0.00 -1.26 -5.03 105.19 97.59 1j3x n GLY 11 Ca 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1j3x n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j3x n LYS 12 N -1.65 2.33 -3.65 1.61 5.02 -1.26 -5.05 118.16 115.51 1j3x n LYS 12 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1j3x n LYS 12 Cb 0.02 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.85 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1j3x s MET 13 N 0.14 0.04 0.86 1.97 -1.94 -1.26 -5.08 119.30 114.04 1j3x s MET 13 Ca 0.00 0.12 -0.10 0.00 -1.71 0.00 0.00 55.69 54.00 1j3x s MET 13 Cb 0.00 -1.21 0.17 0.00 2.01 0.00 0.00 34.83 35.80 1j3x s MET 13 CO 0.00 -0.50 1.19 0.45 -0.01 0.00 0.00 175.02 176.15 1j3x s SER 14 N 2.14 3.67 0.36 3.03 0.15 -1.26 -4.31 113.70 117.47 1j3x s SER 14 Ca 0.03 0.05 0.14 0.00 0.70 0.00 0.00 55.95 56.88 1j3x s SER 14 Cb -0.14 -0.25 0.68 0.00 -1.71 0.00 0.00 66.02 64.60 1j3x s SER 14 CO -0.06 -2.35 1.78 0.77 1.20 0.00 0.00 173.24 174.57 1j3x h SER 15 N -1.18 0.00 0.35 5.45 4.64 -1.91 -2.72 113.55 118.18 1j3x h SER 15 Ca -0.41 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.85 1j3x h SER 15 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1j3x h SER 15 CO 0.40 0.42 -0.29 0.22 -0.87 0.00 0.00 176.83 176.71 1j3x h TYR 16 N 0.00 0.00 0.00 4.77 3.20 -1.93 -1.36 116.97 121.65 1j3x h TYR 16 Ca -0.00 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 1j3x h TYR 16 Cb 0.78 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 1j3x h TYR 16 CO 0.00 0.29 -0.99 0.00 -1.64 0.00 0.00 178.16 175.81 1j3x h ALA 17 N 1.71 0.36 0.00 1.82 0.00 -1.86 -3.27 119.26 118.03 1j3x h ALA 17 Ca -0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 54.91 53.82 1j3x h ALA 17 Cb 0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1j3x h ALA 17 CO 0.04 1.24 -0.88 0.74 0.00 0.00 0.00 179.25 180.38 1j3x h PHE 18 N 0.00 0.00 0.18 0.00 0.04 -1.34 -3.13 116.94 112.69 1j3x h PHE 18 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1j3x h PHE 18 Cb 1.76 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.91 1j3x h PHE 18 CO 0.00 0.88 -0.09 0.35 -0.60 0.00 0.00 178.31 178.85 1j3x h PHE 19 N 0.00 -0.23 0.00 -0.55 3.57 -1.31 -1.73 116.94 116.69 1j3x h PHE 19 Ca -0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1j3x h PHE 19 Cb 1.66 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.47 1j3x h PHE 19 CO 0.00 -0.02 -0.14 0.28 -2.23 0.00 0.00 178.31 176.20 1j3x h VAL 20 N -0.40 1.04 -0.16 1.41 2.07 -1.66 0.04 116.25 118.58 1j3x h VAL 20 Ca -0.03 -0.48 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 1j3x h VAL 20 Cb 0.31 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1j3x h VAL 20 CO 0.04 0.14 -0.44 -0.61 0.02 0.00 0.00 177.57 176.71 1j3x h GLN 21 N 0.00 0.40 0.00 1.57 -0.00 -1.41 0.14 115.11 115.81 1j3x h GLN 21 Ca -0.00 -0.21 -0.24 0.00 -0.00 0.00 0.00 58.65 58.20 1j3x h GLN 21 Cb 0.25 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.70 1j3x h GLN 21 CO 0.02 0.77 -1.29 1.15 0.00 0.00 0.00 178.83 179.48 1j3x h THR 22 N 0.33 1.27 0.00 2.39 2.02 -0.58 -3.24 112.91 115.10 1j3x h THR 22 Ca 0.02 -3.02 -0.20 0.00 0.77 0.00 0.00 66.41 63.99 1j3x h THR 22 Cb 0.91 2.62 -0.03 0.00 -1.74 0.00 0.00 68.15 69.91 1j3x h THR 22 CO 0.08 0.72 -0.93 0.28 0.37 0.00 0.00 175.52 176.04 1j3x h SER 23 N 0.00 0.00 0.04 4.18 0.02 -0.93 -3.22 113.55 113.64 1j3x h SER 23 Ca -0.13 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.68 1j3x h SER 23 Cb 1.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.38 1j3x h SER 23 CO 0.10 0.93 -0.48 -0.09 -1.14 0.00 0.00 176.83 176.16 1j3x h ARG 24 N 0.00 0.50 -0.20 3.45 1.12 -1.06 -2.86 114.38 115.33 1j3x h ARG 24 Ca -0.01 -0.28 -0.09 0.00 -1.11 0.00 0.00 59.98 58.49 1j3x h ARG 24 Cb 1.70 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.66 1j3x h ARG 24 CO 0.12 0.87 -0.26 0.93 -3.11 0.00 0.00 179.97 178.52 1j3x h GLU 25 N 0.40 0.38 -0.76 0.20 5.08 -1.60 -2.51 114.58 115.77 1j3x h GLU 25 Ca 0.02 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1j3x h GLU 25 Cb 0.98 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.15 1j3x h GLU 25 CO 0.09 0.62 0.13 -1.91 -1.00 0.00 0.00 179.01 176.93 1j3x n GLU 26 N -4.13 3.48 -0.10 2.33 2.13 -1.13 -4.28 120.64 118.94 1j3x n GLU 26 Ca -0.01 -2.37 -0.21 0.00 0.66 0.00 0.00 57.16 55.23 1j3x n GLU 26 Cb 0.40 -2.04 -0.08 0.00 0.27 0.00 0.00 31.44 29.99 1j3x n GLU 26 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1j3x n HIS 27 N 0.17 0.00 0.25 4.31 -0.00 -0.94 -4.49 115.22 114.52 1j3x n HIS 27 Ca 0.27 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.58 1j3x n HIS 27 Cb 1.08 -0.75 0.78 0.00 -0.12 0.00 0.00 29.99 30.99 1j3x n HIS 27 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1j3x h LYS 28 N -0.66 0.00 0.00 1.57 3.11 -1.74 0.11 116.57 118.96 1j3x h LYS 28 Ca -0.52 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.32 1j3x h LYS 28 Cb 1.49 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.72 1j3x h LYS 28 CO -0.29 0.00 -0.00 0.87 -2.81 0.00 0.00 179.45 177.22 1j3x h LYS 29 N 0.00 0.00 0.00 1.90 1.57 -1.79 -2.98 116.57 115.28 1j3x h LYS 29 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1j3x h LYS 29 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1j3x h LYS 29 CO -0.00 0.00 -0.30 0.36 -0.57 0.00 0.00 179.45 178.94 1j3x n LYS 30 N -4.14 0.51 -3.10 3.15 2.85 -0.44 -4.88 118.16 112.13 1j3x n LYS 30 Ca -0.03 -1.57 -0.17 0.00 -1.05 0.00 0.00 58.31 55.49 1j3x n LYS 30 Cb 0.08 -0.87 -0.01 0.00 -0.65 0.00 0.00 35.03 33.58 1j3x n LYS 30 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1j3x n HIS 31 N -0.53 -0.58 -0.05 5.58 8.25 0.24 -4.95 115.22 123.19 1j3x n HIS 31 Ca 0.06 -3.40 -0.16 0.00 -0.26 0.00 0.00 57.72 53.95 1j3x n HIS 31 Cb 0.67 0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.73 1j3x n HIS 31 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1j3x h PRO 32 N 3.23 0.78 -1.02 -0.41 0.13 -1.84 -3.21 132.00 129.66 1j3x h PRO 32 Ca 0.05 -0.57 -0.65 0.00 -0.87 0.00 0.00 66.00 63.96 1j3x h PRO 32 Cb 0.98 0.10 -0.29 0.00 0.13 0.00 0.00 31.00 31.92 1j3x h PRO 32 CO 0.43 1.19 0.84 -0.40 -0.23 0.00 0.00 178.00 179.83 1j3x n ASP 33 N -4.03 7.29 -4.48 1.44 5.75 -1.26 -4.94 116.55 116.32 1j3x n ASP 33 Ca -0.06 -3.75 -0.33 0.00 -0.01 0.00 0.00 54.79 50.64 1j3x n ASP 33 Cb 0.67 -0.97 -0.13 0.00 -1.03 0.00 0.00 41.12 39.66 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1j3x s SER 34 N -1.71 4.02 -0.89 -1.12 0.15 -1.21 -5.07 113.70 107.86 1j3x s SER 34 Ca 0.63 -0.21 -0.14 0.00 0.70 0.00 0.00 55.95 56.94 1j3x s SER 34 Cb 0.50 -0.83 0.22 0.00 -1.71 0.00 0.00 66.02 64.19 1j3x s SER 34 CO 0.00 0.34 0.87 -0.55 1.20 0.00 0.00 173.24 175.11 1j3x s SER 35 N -0.77 6.84 -0.94 5.45 0.15 -1.26 -4.99 113.70 118.18 1j3x s SER 35 Ca 0.12 -2.76 -0.23 0.00 0.70 0.00 0.00 55.95 53.78 1j3x s SER 35 Cb -0.11 -2.24 0.06 0.00 -1.71 0.00 0.00 66.02 62.03 1j3x s SER 35 CO 0.01 -0.59 1.35 -0.69 1.20 0.00 0.00 173.24 174.52 1j3x s VAL 36 N 0.28 4.02 -0.56 4.45 1.01 -1.26 -4.85 120.40 123.48 1j3x s VAL 36 Ca 0.22 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1j3x s VAL 36 Cb -0.09 -4.98 0.18 0.00 0.00 0.00 0.00 36.38 31.49 1j3x s VAL 36 CO -0.09 -1.84 2.44 -0.46 0.00 0.00 0.00 175.10 175.15 1j3x n ASN 37 N 8.59 6.84 0.00 3.32 0.23 -1.26 -4.93 115.26 128.06 1j3x n ASN 37 Ca 0.24 -3.40 0.00 0.00 -0.53 0.00 0.00 54.58 50.89 1j3x n ASN 37 Cb 0.50 -1.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.05 1j3x n ASN 37 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1j3x n PHE 38 N 0.31 0.00 -0.29 -2.53 3.72 -1.26 -3.98 117.46 113.43 1j3x n PHE 38 Ca 0.49 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 58.01 1j3x n PHE 38 Cb 0.48 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.28 1j3x n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j3x h ALA 39 N -0.71 1.17 -0.02 4.37 0.00 -1.95 1.73 119.26 123.85 1j3x h ALA 39 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1j3x h ALA 39 Cb 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j3x h ALA 39 CO 0.00 -0.46 0.09 1.49 0.00 0.00 0.00 179.25 180.37 1j3x h GLU 40 N 0.18 0.00 0.00 0.00 4.81 -1.92 -1.99 114.58 115.65 1j3x h GLU 40 Ca 0.53 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.56 1j3x h GLU 40 Cb 1.04 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 1j3x h GLU 40 CO -0.67 0.00 -1.73 0.34 -0.73 0.00 0.00 179.01 176.22 1j3x n PHE 41 N -3.22 0.00 0.32 0.92 7.35 0.31 -4.39 117.46 118.74 1j3x n PHE 41 Ca -0.02 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.86 1j3x n PHE 41 Cb 0.17 -0.51 1.05 0.00 0.35 0.00 0.00 39.48 40.53 1j3x n PHE 41 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1j3x h SER 42 N 0.00 0.00 1.17 -2.13 4.64 0.25 -0.86 113.55 116.62 1j3x h SER 42 Ca -0.29 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 1j3x h SER 42 Cb 1.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.64 1j3x h SER 42 CO -0.01 0.01 -0.87 0.11 -0.87 0.00 0.00 176.83 175.20 1j3x h LYS 43 N 0.00 0.00 0.16 4.77 1.57 -1.59 -3.32 116.57 118.16 1j3x h LYS 43 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1j3x h LYS 43 Cb 0.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1j3x h LYS 43 CO 0.00 0.36 -1.51 -0.22 -0.57 0.00 0.00 179.45 177.51 1j3x h LYS 44 N 0.00 0.34 -0.08 3.15 1.63 -1.39 -3.33 116.57 116.88 1j3x h LYS 44 Ca -0.06 -0.58 0.02 0.00 -0.85 0.00 0.00 60.65 59.18 1j3x h LYS 44 Cb 1.42 0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 33.26 1j3x h LYS 44 CO 0.05 1.28 0.07 0.00 -3.45 0.00 0.00 179.45 177.40 1j3x h SER 46 N 0.00 0.14 0.11 0.00 4.64 -1.67 0.26 113.55 117.03 1j3x h SER 46 Ca 0.04 -0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 61.14 1j3x h SER 46 Cb 0.18 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1j3x h SER 46 CO -0.00 0.69 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.81 1j3x h GLU 47 N 0.09 0.44 0.12 4.77 5.08 -1.26 -2.10 114.58 121.72 1j3x h GLU 47 Ca -0.00 -0.26 -0.34 0.00 -1.00 0.00 0.00 59.36 57.76 1j3x h GLU 47 Cb 1.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1j3x h GLU 47 CO 0.08 0.84 -1.78 0.00 -1.00 0.00 0.00 179.01 177.15 1j3x h ARG 48 N 0.35 0.26 -0.06 2.33 2.47 -1.40 -3.22 114.38 115.10 1j3x h ARG 48 Ca 0.01 -0.44 -0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1j3x h ARG 48 Cb 1.01 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1j3x h ARG 48 CO 0.09 1.11 0.02 2.35 0.56 0.00 0.00 179.97 184.11 1j3x h TRP 49 N 0.07 0.08 0.00 3.04 2.91 -0.52 0.36 115.95 121.90 1j3x h TRP 49 Ca -0.34 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.64 1j3x h TRP 49 Cb 2.04 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 30.66 1j3x h TRP 49 CO 0.07 0.20 -0.16 0.87 -1.03 0.00 0.00 178.44 178.38 1j3x h LYS 50 N -0.05 0.00 0.00 2.65 1.57 -1.55 -2.57 116.57 116.62 1j3x h LYS 50 Ca 0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1j3x h LYS 50 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1j3x h LYS 50 CO -0.00 0.16 -1.16 0.25 -0.57 0.00 0.00 179.45 178.13 1j3x n THR 51 N -3.79 0.84 -1.72 -0.16 -2.24 -0.99 -4.92 114.28 101.31 1j3x n THR 51 Ca -0.02 -0.60 -0.40 0.00 -2.27 0.00 0.00 64.05 60.76 1j3x n THR 51 Cb 0.27 -0.49 0.02 0.00 -2.10 0.00 0.00 70.33 68.02 1j3x n THR 51 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1j3x n MET 52 N -2.76 1.91 -2.25 -0.78 2.81 0.12 -4.98 117.12 111.19 1j3x n MET 52 Ca -0.04 0.69 -0.28 0.00 -1.81 0.00 0.00 57.70 56.25 1j3x n MET 52 Cb 0.66 -2.46 0.02 0.00 -0.71 0.00 0.00 33.22 30.73 1j3x n MET 52 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1j3x s SER 53 N -0.62 5.91 0.53 7.83 0.01 -1.26 -4.79 113.70 121.31 1j3x s SER 53 Ca 0.63 1.02 0.21 0.00 1.31 0.00 0.00 55.95 59.12 1j3x s SER 53 Cb -0.47 -2.08 1.34 0.00 0.21 0.00 0.00 66.02 65.02 1j3x s SER 53 CO 0.56 -0.92 2.08 0.00 0.41 0.00 0.00 173.24 175.37 1j3x h ALA 54 N -0.18 2.21 0.00 1.44 0.00 -1.93 0.23 119.26 121.02 1j3x h ALA 54 Ca -0.45 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1j3x h ALA 54 Cb 1.22 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1j3x h ALA 54 CO 0.62 -0.30 -0.72 0.87 0.00 0.00 0.00 179.25 179.72 1j3x h LYS 55 N 0.00 0.00 0.08 0.00 1.79 -2.00 -2.72 116.57 113.72 1j3x h LYS 55 Ca 0.11 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.28 1j3x h LYS 55 Cb 0.46 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 1j3x h LYS 55 CO -0.00 0.72 -1.62 0.93 -1.08 0.00 0.00 179.45 178.40 1j3x h GLU 56 N 0.00 0.17 -0.90 3.15 5.08 -1.39 -3.33 114.58 117.37 1j3x h GLU 56 Ca -0.01 -0.29 -0.29 0.00 -1.00 0.00 0.00 59.36 57.77 1j3x h GLU 56 Cb 1.35 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 30.54 1j3x h GLU 56 CO 0.09 0.96 0.37 0.36 -1.00 0.00 0.00 179.01 179.79 1j3x n LYS 57 N -3.35 2.64 0.02 2.33 -0.00 0.61 -4.27 118.16 116.15 1j3x n LYS 57 Ca -0.18 -2.44 -0.09 0.00 -0.00 0.00 0.00 58.31 55.60 1j3x n LYS 57 Cb 1.04 -1.99 -0.13 0.00 -0.00 0.00 0.00 35.03 33.94 1j3x n LYS 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1j3x h SER 58 N 1.52 0.06 0.45 -5.58 4.64 -1.59 -2.98 113.55 110.08 1j3x h SER 58 Ca 0.36 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.49 1j3x h SER 58 Cb 2.25 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 64.31 1j3x h SER 58 CO 0.74 1.08 -0.45 0.50 -0.87 0.00 0.00 176.83 177.82 1j3x h LYS 59 N 0.01 0.00 0.09 4.77 3.64 -1.85 -1.78 116.57 121.47 1j3x h LYS 59 Ca -0.18 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.91 1j3x h LYS 59 Cb 1.92 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.73 1j3x h LYS 59 CO 0.11 0.46 -1.49 0.74 -2.27 0.00 0.00 179.45 177.00 1j3x h PHE 60 N 0.00 0.36 0.00 1.91 0.04 -1.86 -3.04 116.94 114.35 1j3x h PHE 60 Ca -0.00 -0.26 -0.12 0.00 2.80 0.00 0.00 57.97 60.38 1j3x h PHE 60 Cb 0.81 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 1j3x h PHE 60 CO 0.00 1.31 -0.56 1.49 -0.60 0.00 0.00 178.31 179.94 1j3x h GLU 61 N 0.05 0.00 0.00 1.51 4.81 -1.43 -2.83 114.58 116.70 1j3x h GLU 61 Ca -0.22 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.82 1j3x h GLU 61 Cb 1.99 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.34 1j3x h GLU 61 CO 0.15 0.56 -0.89 0.22 -0.73 0.00 0.00 179.01 178.33 1j3x h ASP 62 N 0.00 0.00 0.72 1.04 1.82 -1.42 -2.76 116.42 115.81 1j3x h ASP 62 Ca -0.01 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.49 1j3x h ASP 62 Cb 1.04 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.03 1j3x h ASP 62 CO 0.07 0.87 -0.69 0.24 -1.61 0.00 0.00 179.24 178.12 1j3x h MET 63 N 0.00 0.00 0.00 0.28 2.86 -1.42 -2.95 114.93 113.70 1j3x h MET 63 Ca -0.02 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.41 1j3x h MET 63 Cb 1.67 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.30 1j3x h MET 63 CO 0.11 0.69 -1.17 0.00 1.06 0.00 0.00 176.91 177.60 1j3x h ALA 64 N 1.31 0.53 0.00 6.32 0.00 -1.54 -3.30 119.26 122.59 1j3x h ALA 64 Ca -0.01 -1.01 -0.10 0.00 0.00 0.00 0.00 54.91 53.79 1j3x h ALA 64 Cb 1.24 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1j3x h ALA 64 CO 0.09 1.24 -0.49 -0.22 0.00 0.00 0.00 179.25 179.87 1j3x h LYS 65 N 0.00 0.00 0.00 0.00 3.11 -1.46 -1.97 116.57 116.25 1j3x h LYS 65 Ca -0.10 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.60 1j3x h LYS 65 Cb 1.78 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.99 1j3x h LYS 65 CO 0.10 0.49 -0.65 1.03 -2.81 0.00 0.00 179.45 177.62 1j3x h SER 66 N 0.00 0.00 0.70 4.20 0.87 -1.59 -3.16 113.55 114.57 1j3x h SER 66 Ca -0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.29 1j3x h SER 66 Cb 0.95 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.88 1j3x h SER 66 CO 0.06 0.65 -1.38 -0.78 -0.53 0.00 0.00 176.83 174.86 1j3x h ASP 67 N 0.00 0.08 0.17 6.23 1.82 -1.59 -3.30 116.42 119.83 1j3x h ASP 67 Ca -0.01 -0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.49 1j3x h ASP 67 Cb 1.16 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.14 1j3x h ASP 67 CO 0.08 1.09 -0.15 0.50 -1.61 0.00 0.00 179.24 179.16 1j3x h LYS 68 N 0.01 0.00 0.00 0.28 3.11 -1.34 -2.07 116.57 116.57 1j3x h LYS 68 Ca -0.16 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.52 1j3x h LYS 68 Cb 1.91 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.12 1j3x h LYS 68 CO 0.12 0.15 -0.76 0.00 -2.81 0.00 0.00 179.45 176.14 1j3x h ALA 69 N 1.85 0.59 0.00 5.00 0.00 -1.63 -3.05 119.26 122.02 1j3x h ALA 69 Ca -0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1j3x h ALA 69 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1j3x h ALA 69 CO 0.02 0.95 -0.09 -0.09 0.00 0.00 0.00 179.25 180.04 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 9.65 -1.45 -0.56 114.38 122.02 1j3x h ARG 70 Ca -0.01 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.64 1j3x h ARG 70 Cb 1.48 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.02 1j3x h ARG 70 CO 0.10 0.09 -1.48 -0.92 2.80 0.00 0.00 179.97 180.56 1j3x h TYR 71 N 0.00 0.00 0.00 2.20 5.03 -1.57 -3.09 116.97 119.55 1j3x h TYR 71 Ca -0.00 0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.14 1j3x h TYR 71 Cb 0.17 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.42 1j3x h TYR 71 CO 0.00 0.85 -0.80 0.22 -1.32 0.00 0.00 178.16 177.11 1j3x h ASP 72 N 0.00 0.00 0.80 -2.11 1.82 -1.31 -3.03 116.42 112.59 1j3x h ASP 72 Ca -0.20 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.19 1j3x h ASP 72 Cb 1.82 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.80 1j3x h ASP 72 CO 0.07 0.80 -1.25 0.03 -1.61 0.00 0.00 179.24 177.28 1j3x h ARG 73 N 0.00 0.03 -0.05 0.28 2.47 -1.25 0.23 114.38 116.10 1j3x h ARG 73 Ca -0.01 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1j3x h ARG 73 Cb 1.47 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.81 1j3x h ARG 73 CO 0.10 0.88 -0.02 1.49 0.56 0.00 0.00 179.97 182.98 1j3x h GLU 74 N 0.01 0.10 0.06 0.04 4.57 -1.57 -3.36 114.58 114.43 1j3x h GLU 74 Ca -0.11 -0.04 -0.37 0.00 -1.18 0.00 0.00 59.36 57.66 1j3x h GLU 74 Cb 1.87 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.41 1j3x h GLU 74 CO 0.12 0.47 -2.13 -1.33 -1.18 0.00 0.00 179.01 174.96 1j3x n MET 75 N -4.82 0.68 -0.48 1.92 2.81 -1.15 -5.08 117.12 111.01 1j3x n MET 75 Ca -0.07 0.26 0.07 0.00 -1.81 0.00 0.00 57.70 56.14 1j3x n MET 75 Cb 0.23 -1.63 -0.02 0.00 -0.71 0.00 0.00 33.22 31.10 1j3x n MET 75 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1j3x n LYS 76 N -3.59 -0.96 0.00 0.03 5.02 0.81 -5.09 118.16 114.38 1j3x n LYS 76 Ca -0.39 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1j3x n LYS 76 Cb 0.97 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 1j3x n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17