#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 0.86 3.27 -5.12 0.00 -1.26 -5.18 105.19 97.76 1j3x n GLY 2 Ca 0.00 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 1j3x n GLY 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j3x s LYS 3 N 1.66 0.94 0.00 1.61 2.20 -1.26 -5.09 119.74 119.79 1j3x s LYS 3 Ca 0.00 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1j3x s LYS 3 Cb 0.00 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1j3x s LYS 3 CO 0.00 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1j3x n GLY 4 N 0.03 -0.01 2.44 5.54 0.00 -1.26 -4.91 105.19 107.02 1j3x n GLY 4 Ca -0.16 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 1j3x n GLY 4 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j3x n ASP 5 N -0.78 -0.73 -0.03 1.61 5.75 -1.26 -4.54 116.55 116.57 1j3x n ASP 5 Ca 0.00 -3.29 -0.16 0.00 -0.01 0.00 0.00 54.79 51.33 1j3x n ASP 5 Cb 0.00 0.57 -0.08 0.00 -1.03 0.00 0.00 41.12 40.58 1j3x n ASP 5 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1j3x h PRO 6 N 3.12 0.57 0.00 0.11 0.13 -1.97 -3.44 132.00 130.52 1j3x h PRO 6 Ca 0.00 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1j3x h PRO 6 Cb 1.02 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1j3x h PRO 6 CO 0.34 1.07 -0.26 0.09 -0.23 0.00 0.00 178.00 179.01 1j3x n ASN 7 N -4.20 0.34 -4.93 1.44 3.02 -1.26 -5.10 115.26 104.57 1j3x n ASN 7 Ca -0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.23 1j3x n ASN 7 Cb 0.61 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.78 1j3x n ASN 7 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j3x s LYS 8 N -1.76 3.38 1.14 3.52 1.02 -1.26 -5.09 119.74 120.69 1j3x s LYS 8 Ca 0.00 -0.20 -0.19 0.00 0.02 0.00 0.00 55.97 55.60 1j3x s LYS 8 Cb 0.00 -2.54 0.27 0.00 -0.52 0.00 0.00 37.83 35.04 1j3x s LYS 8 CO 0.00 -0.09 1.17 -1.25 -0.92 0.00 0.00 175.35 174.27 1j3x s PRO 9 N -4.52 -0.76 0.43 -1.68 0.04 -1.26 -4.52 135.00 122.74 1j3x s PRO 9 Ca 0.45 -0.18 0.05 0.00 0.04 0.00 0.00 61.00 61.35 1j3x s PRO 9 Cb -0.10 -1.66 0.01 0.00 0.04 0.00 0.00 34.50 32.79 1j3x s PRO 9 CO 0.39 -3.38 0.60 0.50 0.04 0.00 0.00 177.00 175.16 1j3x s ARG 10 N -5.56 2.86 0.61 4.56 3.52 -1.26 -4.89 118.95 118.79 1j3x s ARG 10 Ca 0.72 -1.00 -0.10 0.00 -0.13 0.00 0.00 55.73 55.22 1j3x s ARG 10 Cb -0.08 -2.69 0.15 0.00 -1.56 0.00 0.00 34.95 30.77 1j3x s ARG 10 CO 0.55 -0.29 0.62 0.41 -0.81 0.00 0.00 175.30 175.78 1j3x n GLY 11 N -1.94 -2.21 0.00 8.12 0.00 -1.26 -5.09 105.19 102.81 1j3x n GLY 11 Ca 0.05 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.03 2.27 -1.56 1.61 4.76 -1.26 -5.10 118.16 115.85 1j3x n LYS 12 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1j3x n LYS 12 Cb 0.31 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.50 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1j3x n MET 13 N 0.00 1.23 -4.04 1.97 2.81 -1.26 -5.12 117.12 112.70 1j3x n MET 13 Ca 0.00 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.75 1j3x n MET 13 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 1j3x n MET 13 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x s SER 14 N -0.56 0.74 0.49 7.83 0.15 -1.26 -4.81 113.70 116.27 1j3x s SER 14 Ca 0.00 -1.41 0.17 0.00 0.70 0.00 0.00 55.95 55.41 1j3x s SER 14 Cb 0.00 0.69 1.18 0.00 -1.71 0.00 0.00 66.02 66.18 1j3x s SER 14 CO 0.00 -1.35 2.07 0.77 1.20 0.00 0.00 173.24 175.93 1j3x h SER 15 N 2.10 0.00 1.05 5.45 4.64 -1.92 -0.83 113.55 124.04 1j3x h SER 15 Ca -0.29 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.84 1j3x h SER 15 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 1j3x h SER 15 CO 0.39 0.11 -0.97 0.22 -0.87 0.00 0.00 176.83 175.70 1j3x h TYR 16 N 0.00 0.00 0.02 4.77 5.03 -1.96 -3.09 116.97 121.75 1j3x h TYR 16 Ca -0.00 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 61.09 1j3x h TYR 16 Cb 0.20 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 1j3x h TYR 16 CO 0.00 0.86 -1.04 0.00 -1.32 0.00 0.00 178.16 176.66 1j3x h ALA 17 N 1.14 0.31 0.00 1.82 0.00 -1.75 -3.24 119.26 117.55 1j3x h ALA 17 Ca -0.05 -0.90 -0.15 0.00 0.00 0.00 0.00 54.91 53.81 1j3x h ALA 17 Cb 1.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1j3x h ALA 17 CO 0.10 1.18 -0.73 0.74 0.00 0.00 0.00 179.25 180.55 1j3x h PHE 18 N 0.02 0.00 -0.21 0.00 -1.00 -1.26 -2.75 116.94 111.73 1j3x h PHE 18 Ca -0.03 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 1j3x h PHE 18 Cb 1.79 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.35 1j3x h PHE 18 CO 0.01 0.73 -0.01 0.35 -1.61 0.00 0.00 178.31 177.78 1j3x h PHE 19 N 0.00 0.42 -0.03 -0.55 3.57 -1.58 -2.70 116.94 116.06 1j3x h PHE 19 Ca -0.01 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 1j3x h PHE 19 Cb 1.30 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1j3x h PHE 19 CO 0.00 0.58 -0.38 0.28 -2.23 0.00 0.00 178.31 176.56 1j3x h VAL 20 N 0.14 1.28 -0.01 1.41 2.07 -1.59 -2.36 116.25 117.19 1j3x h VAL 20 Ca 0.06 -1.36 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 1j3x h VAL 20 Cb 0.42 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1j3x h VAL 20 CO 0.01 0.39 -0.26 1.56 0.02 0.00 0.00 177.57 179.30 1j3x h GLN 21 N 0.06 0.02 0.00 1.57 1.08 -1.28 0.31 115.11 116.87 1j3x h GLN 21 Ca 0.00 -0.01 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 1j3x h GLN 21 Cb 0.71 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.10 1j3x h GLN 21 CO 0.05 0.28 -1.24 1.15 -0.95 0.00 0.00 178.83 178.13 1j3x h THR 22 N 0.02 1.23 0.00 -0.54 2.02 -1.14 -3.19 112.91 111.31 1j3x h THR 22 Ca 0.00 -2.94 -0.22 0.00 0.77 0.00 0.00 66.41 64.03 1j3x h THR 22 Cb 0.47 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 1j3x h THR 22 CO 0.03 0.70 -1.22 0.28 0.37 0.00 0.00 175.52 175.68 1j3x h SER 23 N 0.00 0.00 0.07 4.18 0.02 -1.05 -3.19 113.55 113.58 1j3x h SER 23 Ca -0.12 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.66 1j3x h SER 23 Cb 1.80 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.34 1j3x h SER 23 CO 0.10 0.88 -0.62 -0.09 -1.14 0.00 0.00 176.83 175.96 1j3x h ARG 24 N 0.00 0.54 0.03 3.45 1.12 -0.51 -2.45 114.38 116.56 1j3x h ARG 24 Ca -0.12 -0.37 -0.00 0.00 -1.11 0.00 0.00 59.98 58.38 1j3x h ARG 24 Cb 1.78 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.79 1j3x h ARG 24 CO 0.09 0.99 -0.02 0.93 -3.11 0.00 0.00 179.97 178.86 1j3x h GLU 25 N 0.40 -0.04 0.00 0.20 5.08 -1.66 -2.98 114.58 115.59 1j3x h GLU 25 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1j3x h GLU 25 Cb 1.18 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1j3x h GLU 25 CO 0.11 0.40 -0.02 1.49 -1.00 0.00 0.00 179.01 179.99 1j3x h GLU 26 N -0.50 0.00 0.00 2.33 4.81 -1.60 -1.24 114.58 118.38 1j3x h GLU 26 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1j3x h GLU 26 Cb 0.46 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1j3x h GLU 26 CO 0.01 0.02 -0.13 1.25 -0.73 0.00 0.00 179.01 179.43 1j3x h HIS 27 N 0.00 0.00 -0.14 0.92 2.76 -1.27 -3.22 115.15 114.20 1j3x h HIS 27 Ca -0.00 0.00 -0.64 0.00 -2.20 0.00 0.00 60.37 57.53 1j3x h HIS 27 Cb 0.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1j3x h HIS 27 CO 0.00 0.13 3.34 1.17 -1.30 0.00 0.00 177.93 181.26 1j3x n LYS 28 N -4.08 3.66 0.00 5.26 4.81 -0.47 -3.39 118.16 123.95 1j3x n LYS 28 Ca -0.02 -2.25 0.00 0.00 -0.87 0.00 0.00 58.31 55.17 1j3x n LYS 28 Cb 0.21 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.55 1j3x n LYS 28 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1j3x n LYS 29 N 3.26 0.00 -0.52 1.64 5.02 -1.21 -4.93 118.16 121.41 1j3x n LYS 29 Ca 0.74 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 57.08 1j3x n LYS 29 Cb 0.29 -0.04 0.20 0.00 -0.02 0.00 0.00 35.03 35.46 1j3x n LYS 29 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1j3x n LYS 30 N -1.92 1.60 -3.03 1.97 2.85 -1.24 -4.80 118.16 113.59 1j3x n LYS 30 Ca 0.00 -3.14 -0.18 0.00 -1.05 0.00 0.00 58.31 53.94 1j3x n LYS 30 Cb 0.00 -1.63 -0.02 0.00 -0.65 0.00 0.00 35.03 32.73 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 -1.17 -1.36 -0.03 5.58 8.25 -1.22 -4.98 115.22 120.30 1j3x n HIS 31 Ca 0.20 -2.96 -0.14 0.00 -0.26 0.00 0.00 57.72 54.57 1j3x n HIS 31 Cb 0.73 0.33 -0.10 0.00 1.12 0.00 0.00 29.99 32.07 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 3.85 0.10 -2.17 -0.41 0.13 -1.87 -3.29 132.00 128.36 1j3x h PRO 32 Ca -0.00 -0.08 -0.60 0.00 -0.87 0.00 0.00 66.00 64.45 1j3x h PRO 32 Cb 0.95 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 31.91 1j3x h PRO 32 CO 0.41 0.72 0.99 -0.25 -0.23 0.00 0.00 178.00 179.63 1j3x n ASP 33 N -4.68 7.00 -3.66 1.44 8.00 -1.26 -4.84 116.55 118.56 1j3x n ASP 33 Ca -0.09 -3.27 -0.12 0.00 0.71 0.00 0.00 54.79 52.03 1j3x n ASP 33 Cb 0.37 -1.25 -0.12 0.00 -0.02 0.00 0.00 41.12 40.10 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1j3x s SER 34 N 0.15 0.12 -0.71 -2.24 0.01 -1.24 -5.10 113.70 104.68 1j3x s SER 34 Ca 0.56 0.74 -0.17 0.00 1.31 0.00 0.00 55.95 58.39 1j3x s SER 34 Cb 0.33 0.94 0.14 0.00 0.21 0.00 0.00 66.02 67.64 1j3x s SER 34 CO -0.21 -0.24 0.79 -0.55 0.41 0.00 0.00 173.24 173.45 1j3x s SER 35 N 2.49 6.41 0.26 2.44 0.15 -1.26 -5.02 113.70 119.17 1j3x s SER 35 Ca 0.00 -1.89 -0.18 0.00 0.70 0.00 0.00 55.95 54.59 1j3x s SER 35 Cb -0.12 -2.29 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 1j3x s SER 35 CO -0.10 -0.96 0.73 0.54 1.20 0.00 0.00 173.24 174.65 1j3x s VAL 36 N 1.99 4.62 0.00 4.45 0.11 -1.26 -5.07 120.40 125.23 1j3x s VAL 36 Ca 0.17 1.14 0.00 0.00 -2.93 0.00 0.00 61.98 60.36 1j3x s VAL 36 Cb -0.17 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.92 1j3x s VAL 36 CO -0.01 0.05 0.00 -3.20 -3.33 0.00 0.00 175.10 168.61 1j3x n ASN 37 N 0.29 0.56 -0.12 3.54 5.15 -1.26 -5.03 115.26 118.39 1j3x n ASN 37 Ca -0.00 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.75 1j3x n ASN 37 Cb 0.52 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.68 1j3x n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1j3x n PHE 38 N 0.00 0.22 0.15 1.20 3.72 -1.26 -4.00 117.46 117.49 1j3x n PHE 38 Ca 0.00 0.09 -0.10 0.00 -0.05 0.00 0.00 57.45 57.40 1j3x n PHE 38 Cb 0.00 -0.91 -0.05 0.00 -0.94 0.00 0.00 39.48 37.58 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 -0.92 -0.45 -0.19 4.37 0.00 -1.98 0.83 119.26 120.92 1j3x h ALA 39 Ca -0.47 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.33 1j3x h ALA 39 Cb 1.39 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1j3x h ALA 39 CO -0.29 -0.46 0.32 1.05 0.00 0.00 0.00 179.25 179.87 1j3x h GLU 40 N -1.04 0.00 0.00 0.00 4.11 -2.00 0.34 114.58 115.99 1j3x h GLU 40 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1j3x h GLU 40 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1j3x h GLU 40 CO 0.08 0.00 -1.61 0.34 0.07 0.00 0.00 179.01 177.89 1j3x n PHE 41 N -3.41 0.37 0.10 2.06 7.35 -1.16 -4.14 117.46 118.62 1j3x n PHE 41 Ca 0.02 0.11 0.01 0.00 -0.76 0.00 0.00 57.45 56.83 1j3x n PHE 41 Cb 0.43 -0.67 0.34 0.00 0.35 0.00 0.00 39.48 39.93 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 0.27 0.79 -2.13 4.64 0.48 -1.95 113.55 115.65 1j3x h SER 42 Ca 0.00 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1j3x h SER 42 Cb 1.00 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1j3x h SER 42 CO 0.00 0.46 -0.01 0.11 -0.87 0.00 0.00 176.83 176.52 1j3x h LYS 43 N 0.26 0.00 0.00 4.77 1.79 -1.67 -2.59 116.57 119.13 1j3x h LYS 43 Ca 0.05 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 1j3x h LYS 43 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1j3x h LYS 43 CO 0.03 0.01 -0.43 -0.22 -1.08 0.00 0.00 179.45 177.76 1j3x h LYS 44 N 0.00 0.00 0.00 3.15 3.11 -1.56 -3.33 116.57 117.93 1j3x h LYS 44 Ca -0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1j3x h LYS 44 Cb 0.41 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.64 1j3x h LYS 44 CO 0.00 0.62 -0.00 0.00 -2.81 0.00 0.00 179.45 177.26 1j3x h SER 46 N 0.00 0.28 0.30 0.00 4.64 -1.60 0.21 113.55 117.39 1j3x h SER 46 Ca -0.00 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1j3x h SER 46 Cb 0.01 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1j3x h SER 46 CO 0.00 0.37 -0.32 -0.33 -0.87 0.00 0.00 176.83 175.67 1j3x h GLU 47 N 0.30 0.04 0.00 4.77 5.08 -1.38 -1.26 114.58 122.14 1j3x h GLU 47 Ca 0.07 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.13 1j3x h GLU 47 Cb 0.26 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1j3x h GLU 47 CO 0.01 0.36 -1.82 -2.13 -1.00 0.00 0.00 179.01 174.43 1j3x n ARG 48 N -4.14 0.64 0.02 2.33 0.63 -0.74 -3.57 116.66 111.82 1j3x n ARG 48 Ca -0.02 0.20 -0.12 0.00 -0.92 0.00 0.00 57.85 56.99 1j3x n ARG 48 Cb 0.37 -1.73 -0.09 0.00 0.45 0.00 0.00 32.46 31.47 1j3x n ARG 48 CO 0.00 0.00 0.00 2.35 -2.51 0.00 0.00 177.63 177.47 1j3x h TRP 49 N 0.00 -0.11 0.00 -0.14 2.91 -0.47 -1.31 115.95 116.83 1j3x h TRP 49 Ca -0.32 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.68 1j3x h TRP 49 Cb 1.97 0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 30.65 1j3x h TRP 49 CO 0.00 0.41 -0.11 0.87 -1.03 0.00 0.00 178.44 178.58 1j3x h LYS 50 N -0.75 0.00 0.00 2.65 1.57 -1.43 -2.24 116.57 116.38 1j3x h LYS 50 Ca -0.01 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 1j3x h LYS 50 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1j3x h LYS 50 CO 0.02 0.11 -1.10 1.79 -0.57 0.00 0.00 179.45 179.70 1j3x h THR 51 N 0.00 1.45 -3.72 -0.16 1.35 -1.60 -3.46 112.91 106.76 1j3x h THR 51 Ca -0.00 -3.15 -0.47 0.00 -0.55 0.00 0.00 66.41 62.24 1j3x h THR 51 Cb 0.24 2.71 0.20 0.00 -1.73 0.00 0.00 68.15 69.57 1j3x h THR 51 CO 0.01 0.82 0.11 -0.04 -0.25 0.00 0.00 175.52 176.18 1j3x s MET 52 N -2.72 0.00 0.25 4.72 -1.94 -0.50 -5.05 119.30 114.07 1j3x s MET 52 Ca 0.00 1.11 0.03 0.00 -1.71 0.00 0.00 55.69 55.12 1j3x s MET 52 Cb 0.09 -1.64 0.03 0.00 2.01 0.00 0.00 34.83 35.32 1j3x s MET 52 CO 0.81 -3.19 0.22 0.43 -0.01 0.00 0.00 175.02 173.29 1j3x n SER 53 N -4.57 1.65 0.25 3.03 7.64 -1.26 -4.92 113.62 115.44 1j3x n SER 53 Ca 0.07 -1.83 0.14 0.00 1.01 0.00 0.00 58.87 58.25 1j3x n SER 53 Cb 0.53 -0.05 0.58 0.00 -1.01 0.00 0.00 64.21 64.26 1j3x n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3x h ALA 54 N 0.65 1.02 -0.02 -0.43 0.00 -1.96 -0.07 119.26 118.45 1j3x h ALA 54 Ca -0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1j3x h ALA 54 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1j3x h ALA 54 CO 0.24 0.13 -0.42 0.87 0.00 0.00 0.00 179.25 180.06 1j3x h LYS 55 N 0.00 0.04 0.01 0.00 1.79 -2.00 -1.63 116.57 114.78 1j3x h LYS 55 Ca -0.00 -0.02 -0.39 0.00 -2.18 0.00 0.00 60.65 58.06 1j3x h LYS 55 Cb 0.62 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.20 1j3x h LYS 55 CO 0.01 0.46 -2.42 0.39 -1.08 0.00 0.00 179.45 176.81 1j3x n GLU 56 N -4.03 0.65 0.29 3.15 1.02 -1.08 -4.28 120.64 116.37 1j3x n GLU 56 Ca -0.02 0.18 0.18 0.00 -0.02 0.00 0.00 57.16 57.48 1j3x n GLU 56 Cb 0.46 -1.54 0.88 0.00 -0.02 0.00 0.00 31.44 31.22 1j3x n GLU 56 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1j3x h LYS 57 N -0.11 0.00 -0.07 3.49 1.57 -1.07 -2.37 116.57 118.01 1j3x h LYS 57 Ca -0.57 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.12 1j3x h LYS 57 Cb 1.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 1j3x h LYS 57 CO -0.11 0.04 -0.34 0.66 -0.57 0.00 0.00 179.45 179.13 1j3x h SER 58 N 0.00 0.13 0.34 0.86 4.64 -1.48 -1.21 113.55 116.83 1j3x h SER 58 Ca -0.00 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1j3x h SER 58 Cb 0.28 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1j3x h SER 58 CO 0.01 0.47 -0.27 0.50 -0.87 0.00 0.00 176.83 176.66 1j3x h LYS 59 N 0.11 0.00 0.00 4.77 3.64 -1.64 -0.29 116.57 123.17 1j3x h LYS 59 Ca 0.01 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.14 1j3x h LYS 59 Cb 0.66 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1j3x h LYS 59 CO 0.05 0.27 -1.70 1.19 -2.27 0.00 0.00 179.45 177.00 1j3x n PHE 60 N -4.06 0.87 0.09 1.91 3.72 -0.98 -3.52 117.46 115.49 1j3x n PHE 60 Ca -0.02 0.31 -0.04 0.00 -0.05 0.00 0.00 57.45 57.65 1j3x n PHE 60 Cb 0.34 -1.12 -0.05 0.00 -0.94 0.00 0.00 39.48 37.71 1j3x n PHE 60 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j3x h GLU 61 N 0.00 0.00 0.00 -1.08 5.08 -1.02 -2.67 114.58 114.89 1j3x h GLU 61 Ca -0.27 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 1j3x h GLU 61 Cb 1.88 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.11 1j3x h GLU 61 CO 0.06 0.82 -0.83 0.22 -1.00 0.00 0.00 179.01 178.28 1j3x h ASP 62 N 0.00 0.00 0.96 1.42 3.58 -1.20 -2.88 116.42 118.29 1j3x h ASP 62 Ca -0.01 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 1j3x h ASP 62 Cb 1.59 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.61 1j3x h ASP 62 CO 0.11 0.83 -1.09 0.24 -2.88 0.00 0.00 179.24 176.45 1j3x h MET 63 N 0.00 0.00 -0.03 0.28 2.86 -1.60 -2.90 114.93 113.55 1j3x h MET 63 Ca -0.01 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 1j3x h MET 63 Cb 1.60 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.27 1j3x h MET 63 CO 0.11 0.76 -0.39 0.00 1.06 0.00 0.00 176.91 178.45 1j3x h ALA 64 N 1.12 0.08 0.00 6.32 0.00 -1.52 -3.24 119.26 122.02 1j3x h ALA 64 Ca -0.08 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 1j3x h ALA 64 Cb 1.74 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1j3x h ALA 64 CO 0.10 0.21 -0.38 -0.22 0.00 0.00 0.00 179.25 178.96 1j3x h LYS 65 N -0.24 0.00 0.00 0.00 3.64 -1.64 -0.36 116.57 117.97 1j3x h LYS 65 Ca -0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1j3x h LYS 65 Cb 1.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1j3x h LYS 65 CO 0.08 0.38 -0.05 0.77 -2.27 0.00 0.00 179.45 178.36 1j3x h SER 66 N 0.00 0.00 0.00 4.20 0.02 -1.53 -1.43 113.55 114.81 1j3x h SER 66 Ca -0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.63 1j3x h SER 66 Cb 0.76 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 1j3x h SER 66 CO 0.05 0.05 -2.19 0.47 -1.14 0.00 0.00 176.83 174.07 1j3x n ASP 67 N -4.31 0.71 0.16 3.07 8.00 -1.04 -4.31 116.55 118.83 1j3x n ASP 67 Ca -0.03 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.48 1j3x n ASP 67 Cb 0.13 0.94 0.31 0.00 -0.02 0.00 0.00 41.12 42.49 1j3x n ASP 67 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1j3x h LYS 68 N 0.00 0.06 0.00 -1.24 3.64 -0.87 -2.69 116.57 115.47 1j3x h LYS 68 Ca -0.47 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.78 1j3x h LYS 68 Cb 2.06 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.86 1j3x h LYS 68 CO 0.03 0.44 -0.51 0.00 -2.27 0.00 0.00 179.45 177.14 1j3x h ALA 69 N 1.55 1.03 0.00 5.00 0.00 -1.47 -2.92 119.26 122.46 1j3x h ALA 69 Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1j3x h ALA 69 Cb 0.72 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1j3x h ALA 69 CO 0.05 0.64 -0.27 -0.09 0.00 0.00 0.00 179.25 179.59 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 2.43 -1.66 -2.35 114.38 112.79 1j3x h ARG 70 Ca -0.01 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1j3x h ARG 70 Cb 0.98 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1j3x h ARG 70 CO 0.07 0.27 -0.23 -0.92 -1.51 0.00 0.00 179.97 177.64 1j3x h TYR 71 N 0.00 0.00 -0.02 2.20 3.20 -1.55 -2.29 116.97 118.51 1j3x h TYR 71 Ca -0.00 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 1j3x h TYR 71 Cb 0.50 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1j3x h TYR 71 CO 0.00 0.23 -0.53 0.22 -1.64 0.00 0.00 178.16 176.44 1j3x h ASP 72 N 0.00 0.07 -0.91 -2.11 1.82 -1.54 -3.00 116.42 110.75 1j3x h ASP 72 Ca -0.00 -0.03 -0.53 0.00 -0.39 0.00 0.00 57.03 56.08 1j3x h ASP 72 Cb 0.43 -0.02 -0.28 0.00 0.68 0.00 0.00 39.33 40.14 1j3x h ASP 72 CO 0.03 0.59 0.56 0.54 -1.61 0.00 0.00 179.24 179.35 1j3x n ARG 73 N -3.91 2.39 -0.10 0.28 1.74 -0.87 -4.50 116.66 111.70 1j3x n ARG 73 Ca -0.02 -3.17 -0.20 0.00 -0.77 0.00 0.00 57.85 53.69 1j3x n ARG 73 Cb 0.55 -2.17 -0.07 0.00 -1.02 0.00 0.00 32.46 29.75 1j3x n ARG 73 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1j3x n GLU 74 N -1.06 0.43 -1.28 5.56 2.13 -1.13 -4.60 120.64 120.69 1j3x n GLU 74 Ca 0.57 0.19 -0.29 0.00 0.66 0.00 0.00 57.16 58.28 1j3x n GLU 74 Cb 1.25 -1.23 0.13 0.00 0.27 0.00 0.00 31.44 31.87 1j3x n GLU 74 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1j3x n MET 75 N -3.97 2.46 -1.77 5.31 2.81 -1.26 -4.33 117.12 116.36 1j3x n MET 75 Ca -0.36 -3.14 0.01 0.00 -1.81 0.00 0.00 57.70 52.40 1j3x n MET 75 Cb 0.72 -2.23 0.06 0.00 -0.71 0.00 0.00 33.22 31.06 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 -1.03 1.03 0.00 0.03 5.02 -1.26 -5.17 118.16 116.77 1j3x n LYS 76 Ca 0.61 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.10 1j3x n LYS 76 Cb 1.19 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 1j3x n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17