#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1k s LEU 13 N 0.00 2.90 -0.11 4.31 1.43 -1.26 -5.13 118.68 120.81 3h1k s LEU 13 Ca 0.00 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3h1k s LEU 13 Cb 0.00 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 3h1k s LEU 13 CO 0.00 0.27 -0.21 -0.69 0.23 0.00 0.00 176.35 175.95 3h1k s VAL 14 N -0.96 2.35 -0.56 -1.59 1.01 -1.26 -5.08 120.40 114.31 3h1k s VAL 14 Ca 0.16 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 3h1k s VAL 14 Cb -0.11 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.35 3h1k s VAL 14 CO 0.07 0.55 1.47 -0.62 0.00 0.00 0.00 175.10 176.56 3h1k s ASP 15 N 0.38 6.04 0.64 3.32 3.68 -1.26 -4.87 116.67 124.60 3h1k s ASP 15 Ca -0.16 0.32 0.15 0.00 2.13 0.00 0.00 52.55 54.99 3h1k s ASP 15 Cb -0.17 -2.54 0.63 0.00 -1.45 0.00 0.00 42.92 39.39 3h1k s ASP 15 CO 0.07 -1.77 1.29 1.55 0.13 0.00 0.00 175.17 176.44 3h1k h PRO 16 N 11.47 0.00 0.00 4.34 0.13 -1.98 -1.90 132.00 144.06 3h1k h PRO 16 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3h1k h PRO 16 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3h1k h PRO 16 CO 1.18 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 178.84 3h1k n LEU 17 N -2.90 0.00 -0.35 1.56 7.94 -1.26 -1.13 117.00 120.86 3h1k n LEU 17 Ca 0.09 0.76 0.37 0.00 -1.11 0.00 0.00 56.01 56.11 3h1k n LEU 17 Cb 1.09 -0.26 0.71 0.00 0.53 0.00 0.00 43.42 45.48 3h1k n LEU 17 CO 0.12 -0.26 1.34 0.71 -1.11 0.00 0.00 177.39 178.19 3h1k h THR 18 N 0.00 0.21 0.39 1.96 1.35 -1.76 0.39 112.91 115.45 3h1k h THR 18 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 3h1k h THR 18 Cb 0.00 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 66.67 3h1k h THR 18 CO 0.00 0.00 -0.19 0.74 -0.25 0.00 0.00 175.52 175.82 3h1k h THR 19 N 0.00 0.24 0.00 6.82 2.02 -1.49 -2.36 112.91 118.14 3h1k h THR 19 Ca 0.60 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3h1k h THR 19 Cb 2.66 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 3h1k h THR 19 CO -0.01 0.05 0.00 0.40 0.37 0.00 0.00 175.52 176.34 3h1k h ILE 20 N -1.06 0.00 -0.44 3.11 2.04 0.72 -0.07 117.51 121.81 3h1k h ILE 20 Ca -0.05 -0.26 -0.14 0.00 1.00 0.00 0.00 64.86 65.41 3h1k h ILE 20 Cb 0.50 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3h1k h ILE 20 CO 0.09 0.00 -0.28 0.03 0.00 0.00 0.00 178.15 177.98 3h1k h ARG 21 N 0.00 0.96 0.26 2.37 2.47 -0.29 -2.75 114.38 117.40 3h1k h ARG 21 Ca 0.00 -0.45 -0.01 0.00 -1.26 0.00 0.00 59.98 58.26 3h1k h ARG 21 Cb 0.29 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3h1k h ARG 21 CO 0.00 1.11 -0.12 0.93 0.56 0.00 0.00 179.97 182.45 3h1k h GLU 22 N 0.81 -0.33 -1.21 0.04 5.08 -0.47 -2.52 114.58 115.99 3h1k h GLU 22 Ca 0.09 0.02 0.41 0.00 -1.00 0.00 0.00 59.36 58.89 3h1k h GLU 22 Cb 0.87 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 30.08 3h1k h GLU 22 CO 0.08 -0.22 0.78 1.58 -1.00 0.00 0.00 179.01 180.23 3h1k n HIS 23 N -3.11 0.58 -0.02 4.33 -0.00 -0.90 -0.46 115.22 115.64 3h1k n HIS 23 Ca -0.04 0.58 -0.16 0.00 0.46 0.00 0.00 57.72 58.56 3h1k n HIS 23 Cb 0.14 -1.00 -0.13 0.00 -0.12 0.00 0.00 29.99 28.87 3h1k n HIS 23 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3h1k h GLU 25 N -0.70 0.00 -2.43 0.00 5.08 -0.31 -1.51 114.58 114.70 3h1k h GLU 25 Ca -0.06 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.52 3h1k h GLU 25 Cb 1.25 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.21 3h1k h GLU 25 CO 0.06 0.00 0.79 1.04 -1.00 0.00 0.00 179.01 179.90 3h1k n GLN 26 N -3.15 4.93 -3.83 2.33 1.13 -1.19 -3.83 117.38 113.77 3h1k n GLN 26 Ca 0.07 -4.66 -0.13 0.00 -1.94 0.00 0.00 57.00 50.34 3h1k n GLN 26 Cb 0.81 -2.46 -0.15 0.00 0.11 0.00 0.00 30.24 28.55 3h1k n GLN 26 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3h1k s THR 27 N -3.88 -0.02 0.04 5.09 2.01 -0.57 -4.99 115.64 113.32 3h1k s THR 27 Ca 0.38 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.44 3h1k s THR 27 Cb 0.16 -0.04 0.06 0.00 0.01 0.00 0.00 72.50 72.69 3h1k s THR 27 CO -0.06 0.03 0.25 1.21 -0.69 0.00 0.00 174.62 175.36 3h1k n GLU 28 N 3.49 -0.02 0.06 4.92 2.13 -1.26 0.92 120.64 130.88 3h1k n GLU 28 Ca -0.18 0.25 -0.14 0.00 0.66 0.00 0.00 57.16 57.75 3h1k n GLU 28 Cb 0.56 -0.37 -0.14 0.00 0.27 0.00 0.00 31.44 31.76 3h1k n GLU 28 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3h1k h LYS 29 N 0.00 0.19 -0.25 5.31 1.57 -1.96 -2.90 116.57 118.53 3h1k h LYS 29 Ca 0.07 -0.33 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 3h1k h LYS 29 Cb 0.11 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3h1k h LYS 29 CO -0.16 1.06 -0.35 0.00 -0.57 0.00 0.00 179.45 179.43 3h1k h VAL 31 N 0.46 1.45 0.00 0.00 2.07 -0.97 0.52 116.25 119.78 3h1k h VAL 31 Ca 0.05 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.54 3h1k h VAL 31 Cb 0.83 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3h1k h VAL 31 CO 0.07 0.58 0.00 0.29 0.02 0.00 0.00 177.57 178.53 3h1k n LYS 32 N -4.29 0.55 0.01 1.57 5.02 -1.09 -1.32 118.16 118.61 3h1k n LYS 32 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3h1k n LYS 32 Cb 0.62 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 3h1k n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h1k n ALA 33 N -0.60 3.00 -0.04 7.82 0.00 -1.10 -4.32 120.51 125.27 3h1k n ALA 33 Ca 0.03 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.69 3h1k n ALA 33 Cb 0.01 0.44 0.71 0.00 0.00 0.00 0.00 19.45 20.61 3h1k n ALA 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h1k h ARG 34 N 0.00 0.00 -0.02 0.00 9.65 0.25 0.94 114.38 125.20 3h1k h ARG 34 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 3h1k h ARG 34 Cb 0.81 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 3h1k h ARG 34 CO 0.00 0.00 -0.09 1.49 2.80 0.00 0.00 179.97 184.17 3h1k h GLU 35 N 0.00 0.10 -1.00 0.20 4.81 -1.43 -3.00 114.58 114.26 3h1k h GLU 35 Ca 0.29 -0.08 0.15 0.00 -0.13 0.00 0.00 59.36 59.59 3h1k h GLU 35 Cb 1.21 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.52 3h1k h GLU 35 CO -0.00 0.74 0.62 0.00 -0.73 0.00 0.00 179.01 179.64 3h1k h ARG 36 N -0.52 0.89 0.00 1.92 3.08 -1.06 -2.33 114.38 116.36 3h1k h ARG 36 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3h1k h ARG 36 Cb 0.76 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3h1k h ARG 36 CO 0.02 0.59 0.00 -0.11 -1.07 0.00 0.00 179.97 179.40 3h1k n LEU 37 N -4.67 0.01 -0.31 3.04 7.94 -0.50 -1.78 117.00 120.72 3h1k n LEU 37 Ca 0.21 0.94 0.24 0.00 -1.11 0.00 0.00 56.01 56.28 3h1k n LEU 37 Cb 0.43 -0.44 0.45 0.00 0.53 0.00 0.00 43.42 44.39 3h1k n LEU 37 CO 0.25 -0.44 0.91 -0.62 -1.11 0.00 0.00 177.39 176.38 3h1k n GLU 38 N -1.83 -0.06 -0.13 1.96 1.02 -1.13 0.24 120.64 120.70 3h1k n GLU 38 Ca 0.00 1.34 -0.06 0.00 -0.02 0.00 0.00 57.16 58.42 3h1k n GLU 38 Cb 0.00 -2.30 0.03 0.00 -0.02 0.00 0.00 31.44 29.14 3h1k n GLU 38 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3h1k h LEU 39 N 0.00 0.25 0.23 -4.62 3.38 -1.27 0.70 115.31 113.98 3h1k h LEU 39 Ca 0.72 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.71 3h1k h LEU 39 Cb 1.78 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.51 3h1k h LEU 39 CO -0.78 0.19 -0.11 0.00 0.09 0.00 0.00 178.44 177.82 3h1k n ASP 41 N -2.89 -0.75 -0.22 0.00 2.03 0.40 -0.45 116.55 114.68 3h1k n ASP 41 Ca -0.04 1.39 -0.09 0.00 0.52 0.00 0.00 54.79 56.57 3h1k n ASP 41 Cb 0.12 -0.21 -0.05 0.00 -0.72 0.00 0.00 41.12 40.26 3h1k n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1k h ALA 42 N 0.56 -0.40 -0.18 -1.67 0.00 0.41 0.49 119.26 118.47 3h1k h ALA 42 Ca 0.16 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3h1k h ALA 42 Cb 0.36 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3h1k h ALA 42 CO -0.75 -0.86 -0.15 0.07 0.00 0.00 0.00 179.25 177.56 3h1k h ARG 43 N -0.23 0.43 -0.79 0.00 0.11 -0.75 -2.35 114.38 110.80 3h1k h ARG 43 Ca 0.17 -0.21 0.03 0.00 0.10 0.00 0.00 59.98 60.07 3h1k h ARG 43 Cb 0.56 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.59 3h1k h ARG 43 CO -0.70 0.77 0.50 0.28 0.10 0.00 0.00 179.97 180.92 3h1k h VAL 44 N 0.09 1.11 -0.44 0.08 2.07 -0.28 -1.92 116.25 116.96 3h1k h VAL 44 Ca 0.03 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 3h1k h VAL 44 Cb 0.68 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3h1k h VAL 44 CO 0.04 0.18 0.01 0.28 0.02 0.00 0.00 177.57 178.09 3h1k h SER 45 N 0.98 0.76 0.72 0.57 0.02 -0.02 -3.30 113.55 113.27 3h1k h SER 45 Ca 0.32 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3h1k h SER 45 Cb 0.03 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.37 3h1k h SER 45 CO -0.12 0.88 -0.35 0.77 -1.14 0.00 0.00 176.83 176.88 3h1k h SER 46 N 0.63 -0.82 -2.84 3.07 4.64 -1.14 -3.45 113.55 113.64 3h1k h SER 46 Ca 0.13 0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.91 3h1k h SER 46 Cb 0.48 0.21 0.22 0.00 -0.31 0.00 0.00 62.40 63.01 3h1k h SER 46 CO 0.02 -0.47 -1.07 0.54 -0.87 0.00 0.00 176.83 174.99 3h1k n ARG 47 N -5.44 -0.15 0.00 4.77 1.74 -0.75 -4.98 116.66 111.87 3h1k n ARG 47 Ca -0.13 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3h1k n ARG 47 Cb 0.39 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3h1k n ARG 47 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3h1k n SER 48 N 0.63 2.58 -2.45 0.55 7.64 -1.26 -4.84 113.62 116.48 3h1k n SER 48 Ca 0.04 -0.20 -0.10 0.00 1.01 0.00 0.00 58.87 59.62 3h1k n SER 48 Cb 0.54 0.92 0.04 0.00 -1.01 0.00 0.00 64.21 64.70 3h1k n SER 48 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3h1k n HIS 49 N -1.17 1.84 -4.05 1.43 8.25 -1.26 -5.08 115.22 115.16 3h1k n HIS 49 Ca 0.00 -2.14 -0.29 0.00 -0.26 0.00 0.00 57.72 55.03 3h1k n HIS 49 Cb 0.00 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 30.78 3h1k n HIS 49 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3h1k s THR 50 N -4.06 4.55 -0.12 1.59 -1.32 -1.26 -5.02 115.64 109.99 3h1k s THR 50 Ca 0.37 -0.85 0.17 0.00 -1.21 0.00 0.00 61.69 60.16 3h1k s THR 50 Cb 0.36 -3.23 -0.16 0.00 -1.51 0.00 0.00 72.50 67.96 3h1k s THR 50 CO -0.01 0.05 0.75 -0.62 -2.21 0.00 0.00 174.62 172.58 3h1k n GLU 51 N 0.19 0.63 -0.98 7.08 4.71 -1.26 -4.99 120.64 126.02 3h1k n GLU 51 Ca -0.08 0.20 -0.36 0.00 -0.01 0.00 0.00 57.16 56.91 3h1k n GLU 51 Cb 0.53 -1.78 0.05 0.00 -1.01 0.00 0.00 31.44 29.22 3h1k n GLU 51 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3h1k n GLU 52 N -2.87 -0.04 -3.71 3.49 2.13 -1.26 -5.04 120.64 113.34 3h1k n GLU 52 Ca -0.12 -0.01 -0.14 0.00 0.66 0.00 0.00 57.16 57.55 3h1k n GLU 52 Cb 0.87 -1.08 -0.08 0.00 0.27 0.00 0.00 31.44 31.42 3h1k n GLU 52 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3h1k s GLN 53 N -2.16 0.73 -0.41 5.31 -0.21 -1.26 -5.06 119.66 116.60 3h1k s GLN 53 Ca 0.41 -0.03 0.05 0.00 0.02 0.00 0.00 55.36 55.81 3h1k s GLN 53 Cb -0.16 0.33 0.68 0.00 1.00 0.00 0.00 33.01 34.86 3h1k s GLN 53 CO 0.80 -0.20 1.88 0.00 -2.12 0.00 0.00 175.29 175.65 3h1k h THR 55 N 1.36 0.00 -0.04 0.00 2.02 -1.99 -1.55 112.91 112.71 3h1k h THR 55 Ca 0.55 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.73 3h1k h THR 55 Cb 2.73 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 3h1k h THR 55 CO 1.01 0.00 -0.02 1.21 0.37 0.00 0.00 175.52 178.08 3h1k n GLU 56 N -3.30 -0.02 -0.28 6.66 2.13 -1.26 -0.15 120.64 124.41 3h1k n GLU 56 Ca -0.05 0.73 0.03 0.00 0.66 0.00 0.00 57.16 58.53 3h1k n GLU 56 Cb 0.17 -1.10 0.11 0.00 0.27 0.00 0.00 31.44 30.89 3h1k n GLU 56 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3h1k h GLU 57 N 0.00 0.00 -0.16 5.31 3.07 -1.89 -0.12 114.58 120.79 3h1k h GLU 57 Ca 0.01 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 3h1k h GLU 57 Cb 0.02 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.87 3h1k h GLU 57 CO -0.04 0.00 -0.17 1.25 -1.40 0.00 0.00 179.01 178.66 3h1k h LEU 58 N 0.01 -0.52 -0.30 1.33 5.85 0.52 -1.54 115.31 120.66 3h1k h LEU 58 Ca 0.40 0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.26 3h1k h LEU 58 Cb 0.61 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3h1k h LEU 58 CO -0.83 -0.21 0.04 -0.26 -0.34 0.00 0.00 178.44 176.84 3h1k h PHE 59 N -0.19 0.06 -0.88 1.25 0.04 0.29 -0.15 116.94 117.36 3h1k h PHE 59 Ca 0.11 0.02 0.24 0.00 2.80 0.00 0.00 57.97 61.13 3h1k h PHE 59 Cb 0.35 0.02 -0.15 0.00 2.20 0.00 0.00 35.95 38.37 3h1k h PHE 59 CO -0.29 -0.00 0.16 -0.44 -0.60 0.00 0.00 178.31 177.14 3h1k h ASP 60 N 0.14 -0.14 0.09 2.17 3.32 -0.31 0.78 116.42 122.46 3h1k h ASP 60 Ca 0.14 0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 3h1k h ASP 60 Cb 0.17 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3h1k h ASP 60 CO -0.20 -0.21 -0.04 0.15 -1.72 0.00 0.00 179.24 177.21 3h1k h PHE 61 N 0.14 -0.11 -0.74 4.55 3.57 -0.13 -2.60 116.94 121.62 3h1k h PHE 61 Ca 0.55 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 62.21 3h1k h PHE 61 Cb 1.11 0.04 -0.13 0.00 2.79 0.00 0.00 35.95 39.76 3h1k h PHE 61 CO -0.33 -0.07 0.01 -0.07 -2.23 0.00 0.00 178.31 175.62 3h1k h LEU 62 N -0.14 -0.34 -1.01 0.59 3.38 -0.57 0.96 115.31 118.17 3h1k h LEU 62 Ca -0.01 0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.33 3h1k h LEU 62 Cb 0.09 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 3h1k h LEU 62 CO 0.02 -0.17 0.62 -0.74 0.09 0.00 0.00 178.44 178.25 3h1k h HIS 63 N 0.11 1.08 0.01 1.13 2.76 0.50 0.65 115.15 121.38 3h1k h HIS 63 Ca 0.40 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.61 3h1k h HIS 63 Cb 0.71 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.34 3h1k h HIS 63 CO -0.42 0.26 -0.00 0.00 -1.30 0.00 0.00 177.93 176.47 3h1k h ALA 64 N 1.63 -0.01 0.02 5.26 0.00 0.31 -2.91 119.26 123.57 3h1k h ALA 64 Ca 0.57 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3h1k h ALA 64 Cb 0.85 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3h1k h ALA 64 CO -0.36 -0.04 -0.14 -0.09 0.00 0.00 0.00 179.25 178.62 3h1k h ARG 65 N -0.95 -0.19 -0.90 0.00 2.43 0.16 -2.32 114.38 112.61 3h1k h ARG 65 Ca -0.00 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 3h1k h ARG 65 Cb 0.82 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.32 3h1k h ARG 65 CO 0.00 -0.12 0.51 -0.44 -1.51 0.00 0.00 179.97 178.41 3h1k h ASP 66 N -0.19 0.68 -0.19 -3.80 5.19 0.08 0.99 116.42 119.18 3h1k h ASP 66 Ca -0.00 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.52 3h1k h ASP 66 Cb 0.20 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.59 3h1k h ASP 66 CO -0.08 0.31 -0.52 -0.74 -3.12 0.00 0.00 179.24 175.09 3h1k h HIS 67 N 0.75 -1.55 -0.30 4.55 2.76 -1.28 0.14 115.15 120.23 3h1k h HIS 67 Ca 0.48 0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.77 3h1k h HIS 67 Cb 0.61 0.70 -0.08 0.00 1.55 0.00 0.00 27.41 30.19 3h1k h HIS 67 CO -0.05 -0.53 -0.38 0.00 -1.30 0.00 0.00 177.93 175.67 3h1k h VAL 69 N -0.35 0.22 0.61 0.00 2.07 0.79 -2.18 116.25 117.41 3h1k h VAL 69 Ca 0.13 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 3h1k h VAL 69 Cb 0.57 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3h1k h VAL 69 CO -0.49 0.02 -0.46 0.00 0.02 0.00 0.00 177.57 176.66 3h1k h ALA 70 N 1.81 -1.10 -0.09 1.67 0.00 0.33 1.16 119.26 123.04 3h1k h ALA 70 Ca 0.49 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3h1k h ALA 70 Cb 0.92 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 3h1k h ALA 70 CO -0.76 -1.15 0.71 1.25 0.00 0.00 0.00 179.25 179.31 3h1k h HIS 71 N -1.03 0.00 0.00 0.00 2.76 -1.16 -3.09 115.15 112.63 3h1k h HIS 71 Ca -0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 3h1k h HIS 71 Cb 0.86 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.82 3h1k h HIS 71 CO -0.17 0.00 -0.73 1.63 -1.30 0.00 0.00 177.93 177.37 3h1k n LYS 72 N -2.78 0.00 -0.34 5.26 5.02 -1.00 -4.85 118.16 119.48 3h1k n LYS 72 Ca 0.01 0.00 0.30 0.00 -2.02 0.00 0.00 58.31 56.61 3h1k n LYS 72 Cb 0.76 -0.81 0.53 0.00 -0.02 0.00 0.00 35.03 35.50 3h1k n LYS 72 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3h1k n LEU 73 N -2.30 0.23 0.11 -0.35 7.94 0.40 -0.45 117.00 122.58 3h1k n LEU 73 Ca 0.00 1.27 0.13 0.00 -1.11 0.00 0.00 56.01 56.30 3h1k n LEU 73 Cb 0.36 -0.62 0.43 0.00 0.53 0.00 0.00 43.42 44.12 3h1k n LEU 73 CO 0.00 -1.40 0.88 0.49 -1.11 0.00 0.00 177.39 176.25 3h1k n PHE 74 N -4.62 0.92 0.20 1.96 3.72 -1.26 -3.17 117.46 115.21 3h1k n PHE 74 Ca 0.33 0.29 0.06 0.00 -0.05 0.00 0.00 57.45 58.07 3h1k n PHE 74 Cb 1.20 -0.97 0.42 0.00 -0.94 0.00 0.00 39.48 39.19 3h1k n PHE 74 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3h1k h ASN 75 N 0.00 0.00 0.13 4.37 2.35 -1.11 -3.19 115.58 118.14 3h1k h ASN 75 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 3h1k h ASN 75 Cb 0.65 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.02 3h1k h ASN 75 CO 0.00 0.33 -1.25 0.11 -1.65 0.00 0.00 177.43 174.97 3h1k h LYS 76 N 0.00 0.27 -7.11 0.81 1.79 -1.69 -3.47 116.57 107.17 3h1k h LYS 76 Ca -0.00 -0.46 -0.53 0.00 -2.18 0.00 0.00 60.65 57.47 3h1k h LYS 76 Cb 0.70 0.17 0.12 0.00 -1.58 0.00 0.00 32.23 31.65 3h1k h LYS 76 CO 0.04 1.22 0.47 -0.51 -1.08 0.00 0.00 179.45 179.59 3h1k s LEU 77 N -7.64 3.60 0.00 2.94 1.43 -1.20 -5.09 118.68 112.72 3h1k s LEU 77 Ca -0.18 2.40 0.26 0.00 -1.03 0.00 0.00 54.13 55.59 3h1k s LEU 77 Cb 0.03 -4.60 0.66 0.00 0.03 0.00 0.00 46.19 42.31 3h1k s LEU 77 CO 0.79 -1.73 1.52 1.17 0.23 0.00 0.00 176.35 178.33