#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7m n SER 3 N 0.00 0.37 -0.08 8.00 2.88 -1.26 -1.35 113.62 122.18 3a7m n SER 3 Ca 0.00 0.14 -0.12 0.00 -1.33 0.00 0.00 58.87 57.56 3a7m n SER 3 Cb 0.00 -0.12 -0.15 0.00 -0.75 0.00 0.00 64.21 63.20 3a7m n SER 3 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3a7m n THR 4 N -1.64 1.48 -0.03 2.46 -1.04 -1.26 -3.79 114.28 110.47 3a7m n THR 4 Ca 0.06 -0.78 -0.14 0.00 -2.04 0.00 0.00 64.05 61.15 3a7m n THR 4 Cb 0.36 -0.84 -0.10 0.00 -1.82 0.00 0.00 70.33 67.93 3a7m n THR 4 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3a7m h VAL 5 N 0.01 1.47 -0.59 12.58 2.07 -1.98 -2.90 116.25 126.90 3a7m h VAL 5 Ca -0.49 -1.54 0.09 0.00 0.82 0.00 0.00 66.70 65.59 3a7m h VAL 5 Cb 2.12 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 34.26 3a7m h VAL 5 CO 0.02 0.42 0.40 -0.33 0.02 0.00 0.00 177.57 178.10 3a7m h GLU 6 N -0.43 0.41 -0.52 1.57 4.39 -1.42 0.17 114.58 118.75 3a7m h GLU 6 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3a7m h GLU 6 Cb 0.74 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 3a7m h GLU 6 CO 0.02 0.27 0.34 0.35 -1.16 0.00 0.00 179.01 178.83 3a7m h PHE 7 N 0.42 0.67 0.27 4.33 3.57 -1.63 -1.37 116.94 123.21 3a7m h PHE 7 Ca 0.27 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 3a7m h PHE 7 Cb 0.51 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3a7m h PHE 7 CO -0.00 0.44 -0.13 0.82 -2.23 0.00 0.00 178.31 177.21 3a7m h ILE 8 N 0.71 0.56 -1.27 1.41 2.04 -0.95 -3.27 117.51 116.73 3a7m h ILE 8 Ca 0.19 -0.88 0.37 0.00 1.00 0.00 0.00 64.86 65.54 3a7m h ILE 8 Cb -0.06 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 3a7m h ILE 8 CO -0.04 0.13 0.88 -1.13 0.00 0.00 0.00 178.15 178.00 3a7m h ASN 9 N -0.94 0.13 0.20 1.72 -0.73 -0.67 -1.22 115.58 114.07 3a7m h ASN 9 Ca -0.04 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 3a7m h ASN 9 Cb 0.49 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.11 3a7m h ASN 9 CO 0.06 -0.01 -0.09 0.03 -0.37 0.00 0.00 177.43 177.05 3a7m h ARG 10 N 0.10 -0.26 0.00 6.67 3.08 -1.30 -1.44 114.38 121.23 3a7m h ARG 10 Ca 0.65 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.70 3a7m h ARG 10 Cb 2.33 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 32.43 3a7m h ARG 10 CO -0.13 0.11 -0.09 -1.49 -1.07 0.00 0.00 179.97 177.30 3a7m h TRP 11 N -0.69 0.00 0.06 3.04 4.06 -1.34 0.28 115.95 121.36 3a7m h TRP 11 Ca -0.03 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.92 3a7m h TRP 11 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 3a7m h TRP 11 CO 0.05 0.09 -0.03 1.96 -3.56 0.00 0.00 178.44 176.95 3a7m h GLN 12 N 0.00 -0.08 -0.89 0.49 4.20 -1.24 0.19 115.11 117.79 3a7m h GLN 12 Ca -0.00 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.76 3a7m h GLN 12 Cb 0.16 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 3a7m h GLN 12 CO 0.01 0.09 0.58 -0.09 -0.67 0.00 0.00 178.83 178.76 3a7m h ARG 13 N -0.24 1.05 0.07 1.46 2.43 0.32 0.68 114.38 120.16 3a7m h ARG 13 Ca -0.01 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3a7m h ARG 13 Cb 0.21 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3a7m h ARG 13 CO 0.01 0.69 -0.03 0.82 -1.51 0.00 0.00 179.97 179.95 3a7m h ILE 14 N 1.08 1.16 -0.99 1.20 2.04 -0.33 -0.17 117.51 121.50 3a7m h ILE 14 Ca 0.36 -0.87 0.15 0.00 1.00 0.00 0.00 64.86 65.51 3a7m h ILE 14 Cb 0.08 1.72 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 3a7m h ILE 14 CO -0.12 0.21 0.62 0.00 0.00 0.00 0.00 178.15 178.86 3a7m h ALA 15 N 0.39 1.64 0.76 1.87 0.00 -0.63 0.18 119.26 123.47 3a7m h ALA 15 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3a7m h ALA 15 Cb 0.42 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3a7m h ALA 15 CO 0.02 0.06 -0.37 -0.07 0.00 0.00 0.00 179.25 178.89 3a7m h LEU 16 N 0.85 -0.87 -1.00 0.00 3.38 -0.61 -1.30 115.31 115.77 3a7m h LEU 16 Ca 0.53 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.74 3a7m h LEU 16 Cb 0.71 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.56 3a7m h LEU 16 CO -0.30 -0.50 0.60 -0.07 0.09 0.00 0.00 178.44 178.26 3a7m h LEU 17 N -1.26 0.72 -0.33 1.67 3.38 -0.32 -0.93 115.31 118.24 3a7m h LEU 17 Ca -0.10 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3a7m h LEU 17 Cb 0.79 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3a7m h LEU 17 CO 0.17 0.18 0.08 -1.28 0.09 0.00 0.00 178.44 177.69 3a7m h SER 18 N 0.67 0.49 -0.85 -0.43 0.87 -0.56 -0.51 113.55 113.23 3a7m h SER 18 Ca 0.61 -0.23 0.06 0.00 -1.23 0.00 0.00 61.79 61.00 3a7m h SER 18 Cb 1.07 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.84 3a7m h SER 18 CO -0.43 0.59 0.53 -0.61 -0.53 0.00 0.00 176.83 176.38 3a7m h GLN 19 N 0.37 0.95 0.28 2.24 5.75 -0.17 -1.07 115.11 123.46 3a7m h GLN 19 Ca 0.10 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3a7m h GLN 19 Cb 0.29 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 3a7m h GLN 19 CO 0.00 0.63 -0.44 0.77 -2.65 0.00 0.00 178.83 177.14 3a7m h SER 20 N 0.98 -1.25 -0.98 -0.69 0.02 -0.42 -1.47 113.55 109.75 3a7m h SER 20 Ca 0.36 0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.48 3a7m h SER 20 Cb 0.14 0.44 -0.06 0.00 0.14 0.00 0.00 62.40 63.06 3a7m h SER 20 CO -0.16 -0.55 0.63 -0.07 -1.14 0.00 0.00 176.83 175.54 3a7m h LEU 21 N -0.78 1.04 0.70 5.07 3.38 -0.73 -1.81 115.31 122.18 3a7m h LEU 21 Ca -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3a7m h LEU 21 Cb 0.74 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3a7m h LEU 21 CO -0.16 0.69 -0.44 0.25 0.09 0.00 0.00 178.44 178.87 3a7m h LEU 22 N 1.19 -1.12 -0.97 1.67 5.85 -0.94 -2.38 115.31 118.63 3a7m h LEU 22 Ca 0.40 0.06 0.28 0.00 0.84 0.00 0.00 57.88 59.47 3a7m h LEU 22 Cb 0.07 0.33 -0.14 0.00 0.37 0.00 0.00 40.66 41.29 3a7m h LEU 22 CO -0.14 -0.67 0.48 -0.33 -0.34 0.00 0.00 178.44 177.43 3a7m h GLU 23 N -1.07 0.33 -0.63 1.25 5.08 -0.95 0.22 114.58 118.81 3a7m h GLU 23 Ca -0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3a7m h GLU 23 Cb 0.86 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 3a7m h GLU 23 CO 0.09 0.22 0.30 -0.07 -1.00 0.00 0.00 179.01 178.54 3a7m h LEU 24 N 0.34 0.80 -0.11 1.33 3.38 -1.06 -2.14 115.31 117.85 3a7m h LEU 24 Ca 0.67 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 58.42 3a7m h LEU 24 Cb 1.44 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.99 3a7m h LEU 24 CO -0.60 0.68 -0.46 0.00 0.09 0.00 0.00 178.44 178.16 3a7m h ALA 25 N 1.44 0.21 -0.96 1.53 0.00 -0.11 0.26 119.26 121.63 3a7m h ALA 25 Ca 0.22 -0.49 0.18 0.00 0.00 0.00 0.00 54.91 54.82 3a7m h ALA 25 Cb 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 3a7m h ALA 25 CO -0.03 0.36 0.61 1.96 0.00 0.00 0.00 179.25 182.15 3a7m h GLN 26 N 0.11 0.66 0.00 0.00 4.20 -0.81 1.63 115.11 120.89 3a7m h GLN 26 Ca -0.03 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 3a7m h GLN 26 Cb 1.09 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 3a7m h GLN 26 CO 0.10 0.44 -0.36 0.00 -0.67 0.00 0.00 178.83 178.33 3a7m h ARG 27 N 0.68 0.00 0.00 1.46 3.08 -1.10 -3.47 114.38 115.03 3a7m h ARG 27 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 3a7m h ARG 27 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3a7m h ARG 27 CO -0.28 0.36 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 3a7m n GLY 28 N 0.32 0.72 2.43 0.04 0.00 0.55 -4.96 105.19 104.30 3a7m n GLY 28 Ca 0.00 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3a7m n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a7m n GLU 29 N -2.50 3.47 0.23 1.61 -0.58 0.72 -4.66 120.64 118.94 3a7m n GLU 29 Ca 0.00 -2.33 0.08 0.00 -0.42 0.00 0.00 57.16 54.50 3a7m n GLU 29 Cb 0.00 -2.94 0.58 0.00 -0.57 0.00 0.00 31.44 28.51 3a7m n GLU 29 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 3a7m h TRP 30 N 5.28 0.00 -0.44 -0.32 4.06 -1.92 -2.68 115.95 119.94 3a7m h TRP 30 Ca 0.79 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.73 3a7m h TRP 30 Cb 0.38 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.52 3a7m h TRP 30 CO 1.76 0.19 0.23 -0.44 -3.56 0.00 0.00 178.44 176.63 3a7m h ASP 31 N 0.00 0.53 0.57 -3.49 3.32 -1.97 -1.27 116.42 114.11 3a7m h ASP 31 Ca -0.00 -0.03 -0.24 0.00 0.02 0.00 0.00 57.03 56.78 3a7m h ASP 31 Cb 0.42 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3a7m h ASP 31 CO 0.03 0.43 -1.05 -0.07 -1.72 0.00 0.00 179.24 176.86 3a7m h LEU 32 N 0.60 0.37 -0.01 1.55 3.38 -1.88 -3.09 115.31 116.23 3a7m h LEU 32 Ca 0.16 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3a7m h LEU 32 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3a7m h LEU 32 CO -0.03 1.20 -0.04 -0.07 0.09 0.00 0.00 178.44 179.60 3a7m h LEU 33 N 0.12 -0.11 -0.72 1.67 4.07 -1.21 0.18 115.31 119.31 3a7m h LEU 33 Ca -0.09 0.02 0.13 0.00 0.08 0.00 0.00 57.88 58.02 3a7m h LEU 33 Cb 1.73 0.05 -0.09 0.00 1.08 0.00 0.00 40.66 43.43 3a7m h LEU 33 CO 0.17 -0.06 0.29 -0.07 -1.08 0.00 0.00 178.44 177.69 3a7m h LEU 34 N -0.06 0.28 0.50 1.67 3.38 -1.33 0.22 115.31 119.97 3a7m h LEU 34 Ca 0.02 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3a7m h LEU 34 Cb 0.09 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3a7m h LEU 34 CO -0.05 0.13 -0.26 1.56 0.09 0.00 0.00 178.44 179.91 3a7m h GLN 35 N 0.45 -0.67 0.00 1.13 4.20 -1.24 -3.11 115.11 115.88 3a7m h GLN 35 Ca 0.38 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.14 3a7m h GLN 35 Cb 0.54 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 3a7m h GLN 35 CO -0.37 -0.44 -0.01 1.96 -0.67 0.00 0.00 178.83 179.30 3a7m h GLN 36 N -0.69 0.00 -0.13 1.46 1.08 -0.75 -3.33 115.11 112.76 3a7m h GLN 36 Ca -0.07 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3a7m h GLN 36 Cb 0.54 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 3a7m h GLN 36 CO 0.10 0.01 -0.20 1.49 -0.95 0.00 0.00 178.83 179.28 3a7m h GLU 37 N 0.00 -0.15 -0.73 1.46 4.81 -0.48 -0.71 114.58 118.79 3a7m h GLU 37 Ca -0.00 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.39 3a7m h GLU 37 Cb 0.06 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 29.34 3a7m h GLU 37 CO 0.00 -0.10 -0.11 0.28 -0.73 0.00 0.00 179.01 178.36 3a7m h VAL 38 N -0.15 0.31 -0.64 0.32 2.07 -1.73 0.29 116.25 116.72 3a7m h VAL 38 Ca 0.02 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.58 3a7m h VAL 38 Cb 0.22 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3a7m h VAL 38 CO -0.20 0.01 0.42 0.28 0.02 0.00 0.00 177.57 178.10 3a7m h SER 39 N 0.04 0.60 0.23 0.57 0.02 -1.67 0.33 113.55 113.66 3a7m h SER 39 Ca 0.37 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 3a7m h SER 39 Cb 0.60 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3a7m h SER 39 CO -0.71 0.40 -0.11 0.22 -1.14 0.00 0.00 176.83 175.49 3a7m h TYR 40 N 0.68 -0.29 -0.08 3.45 3.20 0.10 -0.75 116.97 123.30 3a7m h TYR 40 Ca 0.27 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.14 3a7m h TYR 40 Cb 0.19 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 3a7m h TYR 40 CO -0.00 0.10 0.05 -0.07 -1.64 0.00 0.00 178.16 176.60 3a7m h LEU 41 N -0.87 0.06 0.84 2.82 3.38 -0.94 0.23 115.31 120.83 3a7m h LEU 41 Ca -0.03 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3a7m h LEU 41 Cb 0.51 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.25 3a7m h LEU 41 CO 0.05 0.04 -0.40 -0.61 0.09 0.00 0.00 178.44 177.61 3a7m h GLN 42 N 0.07 -1.08 0.04 1.13 4.15 -0.26 -1.82 115.11 117.33 3a7m h GLN 42 Ca 0.03 0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 3a7m h GLN 42 Cb 0.04 0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3a7m h GLN 42 CO -0.00 -0.72 -0.02 0.77 -1.93 0.00 0.00 178.83 176.92 3a7m h SER 43 N -1.26 -0.04 -0.08 -0.69 0.02 -0.38 -0.67 113.55 110.44 3a7m h SER 43 Ca -0.12 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3a7m h SER 43 Cb 0.86 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 3a7m h SER 43 CO 0.19 -0.02 0.08 -0.29 -1.14 0.00 0.00 176.83 175.65 3a7m h ILE 44 N -0.07 0.64 0.06 3.27 2.10 -0.63 -1.19 117.51 121.70 3a7m h ILE 44 Ca -0.01 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.82 3a7m h ILE 44 Cb 0.05 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 36.73 3a7m h ILE 44 CO 0.01 0.00 -0.54 -0.33 -1.08 0.00 0.00 178.15 176.21 3a7m h GLU 45 N 0.00 0.13 0.00 2.19 4.39 -0.92 -3.25 114.58 117.12 3a7m h GLU 45 Ca 0.04 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3a7m h GLU 45 Cb 0.20 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3a7m h GLU 45 CO -0.00 1.11 0.25 1.15 -1.16 0.00 0.00 179.01 180.36 3a7m h THR 46 N -0.70 0.00 -0.42 1.13 2.02 -0.15 -1.69 112.91 113.10 3a7m h THR 46 Ca -0.11 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.91 3a7m h THR 46 Cb 1.33 0.52 -0.10 0.00 -1.74 0.00 0.00 68.15 68.17 3a7m h THR 46 CO 0.04 0.00 0.21 0.52 0.37 0.00 0.00 175.52 176.66 3a7m n VAL 47 N -2.50 1.83 0.00 3.16 0.31 -0.54 -3.55 118.33 117.04 3a7m n VAL 47 Ca -0.02 -0.86 0.00 0.00 -0.01 0.00 0.00 64.34 63.46 3a7m n VAL 47 Cb 0.29 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 3a7m n VAL 47 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3a7m n GLU 49 N -0.08 0.00 -1.54 5.55 2.13 -0.64 -4.70 120.64 121.36 3a7m n GLU 49 Ca 0.24 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.69 3a7m n GLU 49 Cb 0.95 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.73 3a7m n GLU 49 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3a7m n LYS 50 N 0.00 0.76 -3.50 5.31 3.00 -1.23 -5.02 118.16 117.48 3a7m n LYS 50 Ca 0.00 0.31 -0.37 0.00 -0.00 0.00 0.00 58.31 58.25 3a7m n LYS 50 Cb 0.00 -2.22 -0.06 0.00 0.00 0.00 0.00 35.03 32.76 3a7m n LYS 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 3a7m s GLN 51 N -3.02 3.88 -0.17 1.64 0.74 -1.26 -5.08 119.66 116.38 3a7m s GLN 51 Ca 0.76 0.35 -0.22 0.00 0.05 0.00 0.00 55.36 56.30 3a7m s GLN 51 Cb -0.39 -3.11 -0.02 0.00 1.10 0.00 0.00 33.01 30.59 3a7m s GLN 51 CO 0.47 0.62 0.70 0.99 -0.55 0.00 0.00 175.29 177.52 3a7m s THR 52 N -1.23 4.98 1.02 -0.34 2.01 -1.26 -5.06 115.64 115.76 3a7m s THR 52 Ca 0.29 1.35 -0.16 0.00 0.31 0.00 0.00 61.69 63.47 3a7m s THR 52 Cb -0.16 -4.01 0.03 0.00 0.01 0.00 0.00 72.50 68.37 3a7m s THR 52 CO 0.16 0.10 0.02 -0.81 -0.69 0.00 0.00 174.62 173.40 3a7m n PRO 53 N 4.96 -0.72 -0.01 4.92 -0.04 -1.26 -5.01 135.00 137.85 3a7m n PRO 53 Ca 0.00 -0.18 -0.16 0.00 -0.04 0.00 0.00 63.50 63.12 3a7m n PRO 53 Cb 0.50 -1.66 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 3a7m n PRO 53 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3a7m h PRO 54 N -1.65 0.32 -2.21 0.54 0.13 -1.97 -3.39 132.00 123.77 3a7m h PRO 54 Ca -0.47 -0.32 -0.80 0.00 -0.87 0.00 0.00 66.00 63.54 3a7m h PRO 54 Cb 1.32 0.09 -0.27 0.00 0.13 0.00 0.00 31.00 32.27 3a7m h PRO 54 CO 0.34 1.01 1.08 0.41 -0.23 0.00 0.00 178.00 180.60 3a7m n GLY 55 N 1.00 5.99 3.75 1.56 0.00 -1.26 -4.99 105.19 111.24 3a7m n GLY 55 Ca -0.10 -2.54 -0.40 0.00 0.00 0.00 0.00 46.02 42.98 3a7m n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a7m s ILE 56 N -4.39 4.20 0.30 -0.61 1.01 -1.26 -5.03 121.20 115.43 3a7m s ILE 56 Ca 0.42 2.01 0.09 0.00 0.00 0.00 0.00 60.65 63.17 3a7m s ILE 56 Cb 0.24 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3a7m s ILE 56 CO -0.19 0.47 0.07 0.42 0.00 0.00 0.00 174.94 175.72 3a7m s THR 57 N -0.95 3.29 0.61 2.92 -4.23 -1.26 -4.94 115.64 111.07 3a7m s THR 57 Ca 0.41 -1.79 0.30 0.00 -1.18 0.00 0.00 61.69 59.44 3a7m s THR 57 Cb -0.25 -2.94 0.36 0.00 1.34 0.00 0.00 72.50 71.01 3a7m s THR 57 CO 0.30 -0.28 2.04 -0.09 -0.54 0.00 0.00 174.62 176.05 3a7m h ARG 58 N 1.71 0.00 0.05 3.99 2.43 -1.97 0.44 114.38 121.03 3a7m h ARG 58 Ca -0.44 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3a7m h ARG 58 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3a7m h ARG 58 CO 0.62 0.00 -0.02 0.77 -1.51 0.00 0.00 179.97 179.83 3a7m h SER 59 N 0.00 -0.06 -0.77 -3.80 0.02 -1.98 0.64 113.55 107.61 3a7m h SER 59 Ca 0.09 -0.49 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 3a7m h SER 59 Cb 0.64 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 3a7m h SER 59 CO -0.00 0.48 0.29 0.40 -1.14 0.00 0.00 176.83 176.86 3a7m h ILE 60 N -0.61 1.26 0.00 3.27 1.08 -1.61 -3.05 117.51 117.85 3a7m h ILE 60 Ca -0.01 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 3a7m h ILE 60 Cb 0.54 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 3a7m h ILE 60 CO 0.01 0.34 0.00 1.67 -0.69 0.00 0.00 178.15 179.48 3a7m n GLN 61 N -4.29 0.00 0.00 2.37 7.27 0.14 -1.39 117.38 121.48 3a7m n GLN 61 Ca 0.07 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.66 3a7m n GLN 61 Cb 0.20 -1.41 0.00 0.00 2.41 0.00 0.00 30.24 31.43 3a7m n GLN 61 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3a7m n ASP 62 N -1.93 0.00 0.00 1.69 10.43 0.22 -1.35 116.55 125.61 3a7m n ASP 62 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3a7m n ASP 62 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3a7m n ASP 62 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3a7m n VAL 64 N 0.15 0.00 -0.30 2.53 0.31 -0.49 -1.19 118.33 119.35 3a7m n VAL 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3a7m n VAL 64 Cb 0.00 0.00 0.14 0.00 -0.91 0.00 0.00 33.84 33.07 3a7m n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a7m h ALA 65 N 0.00 1.14 -0.85 3.52 0.00 -1.44 0.51 119.26 122.15 3a7m h ALA 65 Ca 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3a7m h ALA 65 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 3a7m h ALA 65 CO 0.00 0.24 0.55 0.78 0.00 0.00 0.00 179.25 180.82 3a7m h GLY 66 N 0.93 1.16 0.48 0.00 0.00 -1.39 0.22 103.07 104.47 3a7m h GLY 66 Ca 0.37 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 3a7m h GLY 66 CO -0.18 0.17 -0.24 -0.97 0.00 0.00 0.00 176.54 175.33 3a7m h TYR 67 N 0.79 0.26 -0.98 5.60 -1.99 -1.30 -2.56 116.97 116.79 3a7m h TYR 67 Ca 0.40 -0.13 0.08 0.00 2.00 0.00 0.00 58.73 61.07 3a7m h TYR 67 Cb 0.47 -0.03 -0.07 0.00 2.00 0.00 0.00 36.73 39.10 3a7m h TYR 67 CO -0.00 0.91 0.63 0.82 -0.00 0.00 0.00 178.16 180.52 3a7m h ILE 68 N -0.47 1.03 0.00 -2.88 2.04 -0.30 0.36 117.51 117.30 3a7m h ILE 68 Ca -0.03 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3a7m h ILE 68 Cb 0.97 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3a7m h ILE 68 CO 0.05 0.20 0.00 0.50 0.00 0.00 0.00 178.15 178.90 3a7m h LYS 69 N 1.09 0.00 0.15 2.37 3.64 -0.68 -1.40 116.57 121.75 3a7m h LYS 69 Ca 0.44 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.58 3a7m h LYS 69 Cb 0.26 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3a7m h LYS 69 CO -0.20 0.00 -1.04 0.37 -2.27 0.00 0.00 179.45 176.31 3a7m h GLN 70 N 0.00 0.45 0.00 1.90 4.15 -0.00 -2.89 115.11 118.72 3a7m h GLN 70 Ca 0.00 -0.68 -0.10 0.00 0.77 0.00 0.00 58.65 58.64 3a7m h GLN 70 Cb 0.70 0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 3a7m h GLN 70 CO 0.00 1.31 -0.48 0.00 -1.93 0.00 0.00 178.83 177.73 3a7m h THR 71 N -0.07 1.01 -0.11 2.39 1.03 -0.59 -2.15 112.91 114.41 3a7m h THR 71 Ca -0.17 -1.89 -0.12 0.00 -0.01 0.00 0.00 66.41 64.22 3a7m h THR 71 Cb 1.79 2.13 -0.01 0.00 -1.07 0.00 0.00 68.15 70.99 3a7m h THR 71 CO 0.20 0.47 -0.45 0.25 -0.01 0.00 0.00 175.52 175.98 3a7m h LEU 72 N 0.00 0.28 0.00 0.00 5.85 -1.29 -2.03 115.31 118.12 3a7m h LEU 72 Ca -0.00 -0.13 -0.28 0.00 0.84 0.00 0.00 57.88 58.31 3a7m h LEU 72 Cb 1.09 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3a7m h LEU 72 CO 0.06 0.70 -1.59 0.44 -0.34 0.00 0.00 178.44 177.71 3a7m h ASP 73 N 0.22 0.00 -0.54 1.25 3.45 -1.45 -2.79 116.42 116.55 3a7m h ASP 73 Ca 0.02 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3a7m h ASP 73 Cb 0.88 -0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.62 3a7m h ASP 73 CO 0.07 1.01 0.35 0.78 -1.57 0.00 0.00 179.24 179.88 3a7m h ASN 74 N 0.00 0.63 -0.43 6.45 4.21 -1.26 -1.36 115.58 123.82 3a7m h ASN 74 Ca -0.24 -0.03 -0.08 0.00 1.21 0.00 0.00 56.30 57.16 3a7m h ASN 74 Cb 1.97 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 39.00 3a7m h ASN 74 CO 0.09 0.47 -0.05 -0.33 -1.29 0.00 0.00 177.43 176.32 3a7m h GLU 75 N 0.73 0.79 -0.97 0.81 5.08 -1.47 -1.27 114.58 118.28 3a7m h GLU 75 Ca 0.20 -0.28 0.20 0.00 -1.00 0.00 0.00 59.36 58.48 3a7m h GLU 75 Cb -0.07 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.01 3a7m h GLU 75 CO -0.04 0.89 0.56 0.37 -1.00 0.00 0.00 179.01 179.79 3a7m h GLN 76 N 0.62 0.65 -0.18 2.33 4.15 -1.13 0.43 115.11 121.99 3a7m h GLN 76 Ca 0.12 -0.04 -0.22 0.00 0.77 0.00 0.00 58.65 59.28 3a7m h GLN 76 Cb 0.56 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 28.11 3a7m h GLN 76 CO 0.03 0.43 -0.74 -0.07 -1.93 0.00 0.00 178.83 176.56 3a7m h LEU 77 N 0.67 0.93 -0.52 -2.39 3.38 -0.99 -2.79 115.31 113.61 3a7m h LEU 77 Ca 0.58 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3a7m h LEU 77 Cb 0.96 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3a7m h LEU 77 CO -0.42 1.39 0.19 0.25 0.09 0.00 0.00 178.44 179.95 3a7m h LEU 78 N 0.55 0.72 -0.89 1.67 5.85 0.34 -2.38 115.31 121.17 3a7m h LEU 78 Ca -0.04 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3a7m h LEU 78 Cb 1.36 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 3a7m h LEU 78 CO 0.15 0.71 0.56 0.11 -0.34 0.00 0.00 178.44 179.63 3a7m h LYS 79 N 0.70 1.01 -0.47 1.25 1.79 -0.25 -1.66 116.57 118.94 3a7m h LYS 79 Ca 0.17 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.49 3a7m h LYS 79 Cb 0.22 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 3a7m h LYS 79 CO -0.01 0.67 -0.05 0.78 -1.08 0.00 0.00 179.45 179.76 3a7m h GLY 80 N 1.04 0.88 0.66 3.86 0.00 -1.18 0.12 103.07 108.46 3a7m h GLY 80 Ca 0.38 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3a7m h GLY 80 CO -0.16 0.58 -0.23 1.41 0.00 0.00 0.00 176.54 178.14 3a7m h LEU 81 N 0.75 -0.54 -1.23 3.11 3.38 -1.00 -2.39 115.31 117.40 3a7m h LEU 81 Ca 0.14 -0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.21 3a7m h LEU 81 Cb 0.52 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 3a7m h LEU 81 CO 0.03 -0.16 0.61 0.25 0.09 0.00 0.00 178.44 179.25 3a7m h LEU 82 N -0.99 0.65 -1.01 1.67 5.85 -1.28 0.21 115.31 120.41 3a7m h LEU 82 Ca -0.07 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3a7m h LEU 82 Cb 0.59 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3a7m h LEU 82 CO 0.11 0.27 -0.45 -0.61 -0.34 0.00 0.00 178.44 177.42 3a7m h GLN 83 N 0.65 0.00 -0.01 1.25 5.75 -0.70 -2.30 115.11 119.75 3a7m h GLN 83 Ca 0.52 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.86 3a7m h GLN 83 Cb 0.94 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 3a7m h GLN 83 CO -0.27 0.45 -0.72 0.37 -2.65 0.00 0.00 178.83 176.00 3a7m h GLN 84 N 0.00 0.09 0.13 1.69 4.15 -0.10 -0.70 115.11 120.37 3a7m h GLN 84 Ca -0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 3a7m h GLN 84 Cb 0.87 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.58 3a7m h GLN 84 CO 0.06 0.77 -0.06 -0.09 -1.93 0.00 0.00 178.83 177.58 3a7m h ARG 85 N 0.06 -0.17 -0.64 1.69 1.12 -0.87 -2.22 114.38 113.35 3a7m h ARG 85 Ca -0.01 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 58.97 3a7m h ARG 85 Cb 1.27 0.04 -0.08 0.00 -0.01 0.00 0.00 29.97 31.19 3a7m h ARG 85 CO 0.10 0.13 0.24 -0.07 -3.11 0.00 0.00 179.97 177.26 3a7m h LEU 86 N -0.47 0.22 0.26 3.80 3.38 -1.36 0.89 115.31 122.03 3a7m h LEU 86 Ca -0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3a7m h LEU 86 Cb 0.38 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3a7m h LEU 86 CO 0.03 0.12 -0.50 0.44 0.09 0.00 0.00 178.44 178.62 3a7m h ASP 87 N 0.41 -1.45 0.52 -0.43 5.19 -0.92 0.26 116.42 120.00 3a7m h ASP 87 Ca 0.33 0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.83 3a7m h ASP 87 Cb 0.43 0.51 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 3a7m h ASP 87 CO -0.33 -0.58 -0.23 -0.33 -3.12 0.00 0.00 179.24 174.65 3a7m h GLU 88 N -0.82 0.00 -0.26 3.56 5.08 -1.13 -1.73 114.58 119.28 3a7m h GLU 88 Ca -0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 3a7m h GLU 88 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3a7m h GLU 88 CO -0.19 0.23 -0.51 1.25 -1.00 0.00 0.00 179.01 178.79 3a7m h LEU 89 N 0.00 0.80 -0.07 1.33 6.46 -0.37 -3.05 115.31 120.41 3a7m h LEU 89 Ca -0.00 -0.41 -0.04 0.00 -0.12 0.00 0.00 57.88 57.30 3a7m h LEU 89 Cb 0.56 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.26 3a7m h LEU 89 CO 0.03 1.17 -0.12 0.28 -0.62 0.00 0.00 178.44 179.18 3a7m h SER 90 N 0.57 0.23 -0.98 1.25 0.02 -0.64 -2.99 113.55 111.01 3a7m h SER 90 Ca 0.02 -0.54 0.39 0.00 -0.84 0.00 0.00 61.79 60.83 3a7m h SER 90 Cb 1.08 -0.07 -0.16 0.00 0.14 0.00 0.00 62.40 63.40 3a7m h SER 90 CO 0.11 0.72 0.55 -0.24 -1.14 0.00 0.00 176.83 176.83 3a7m n SER 91 N -4.64 0.30 0.09 3.07 2.88 -0.68 -0.76 113.62 113.88 3a7m n SER 91 Ca -0.08 1.48 -0.10 0.00 -1.33 0.00 0.00 58.87 58.85 3a7m n SER 91 Cb 0.35 -0.72 -0.06 0.00 -0.75 0.00 0.00 64.21 63.03 3a7m n SER 91 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3a7m h LEU 92 N 0.00 -0.26 -1.30 2.46 3.38 -1.42 -3.31 115.31 114.85 3a7m h LEU 92 Ca 0.78 -0.23 0.14 0.00 0.09 0.00 0.00 57.88 58.66 3a7m h LEU 92 Cb 2.15 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 42.90 3a7m h LEU 92 CO -0.66 0.25 0.57 0.40 0.09 0.00 0.00 178.44 179.09 3a7m h ILE 93 N -0.95 0.85 0.00 1.22 2.04 -0.82 -3.48 117.51 116.37 3a7m h ILE 93 Ca -0.03 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3a7m h ILE 93 Cb 0.48 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3a7m h ILE 93 CO 0.05 0.13 0.00 0.61 0.00 0.00 0.00 178.15 178.94 3a7m n GLY 94 N -1.43 1.77 3.90 5.37 0.00 -0.19 -5.03 105.19 109.56 3a7m n GLY 94 Ca 0.17 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 3a7m n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a7m s GLN 95 N -3.12 3.62 0.88 1.61 -0.21 -1.26 -4.94 119.66 116.24 3a7m s GLN 95 Ca 0.00 -0.08 -0.12 0.00 0.02 0.00 0.00 55.36 55.18 3a7m s GLN 95 Cb 0.00 -2.80 0.16 0.00 1.00 0.00 0.00 33.01 31.36 3a7m s GLN 95 CO 0.00 0.42 1.23 -1.54 -2.12 0.00 0.00 175.29 173.27 3a7m s SER 96 N -2.60 3.68 0.15 5.90 1.04 -1.26 -4.90 113.70 115.71 3a7m s SER 96 Ca 0.42 0.30 -0.14 0.00 0.48 0.00 0.00 55.95 57.01 3a7m s SER 96 Cb -0.12 -0.52 0.03 0.00 0.10 0.00 0.00 66.02 65.51 3a7m s SER 96 CO 0.25 -2.37 1.69 0.74 0.98 0.00 0.00 173.24 174.53 3a7m h THR 97 N -1.30 1.22 0.50 2.02 2.02 -2.00 -2.82 112.91 112.56 3a7m h THR 97 Ca -0.44 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 3a7m h THR 97 Cb 1.26 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3a7m h THR 97 CO 0.46 0.26 -0.24 0.03 0.37 0.00 0.00 175.52 176.40 3a7m h ARG 98 N 0.65 -0.65 -0.68 6.66 3.08 -1.98 -2.59 114.38 118.87 3a7m h ARG 98 Ca 0.16 0.04 0.27 0.00 0.07 0.00 0.00 59.98 60.53 3a7m h ARG 98 Cb 0.24 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.32 3a7m h ARG 98 CO -0.01 -0.43 0.39 0.94 -1.07 0.00 0.00 179.97 179.78 3a7m n GLN 99 N -3.99 -0.04 -0.05 0.04 7.27 -1.20 0.78 117.38 120.20 3a7m n GLN 99 Ca -0.08 0.86 -0.15 0.00 0.07 0.00 0.00 57.00 57.70 3a7m n GLN 99 Cb 0.27 -1.58 -0.13 0.00 2.41 0.00 0.00 30.24 31.21 3a7m n GLN 99 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3a7m h LYS 100 N 0.00 0.06 0.00 3.69 1.57 -1.44 -1.40 116.57 119.05 3a7m h LYS 100 Ca 0.54 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.24 3a7m h LYS 100 Cb 1.51 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.84 3a7m h LYS 100 CO -0.45 0.98 -0.01 0.77 -0.57 0.00 0.00 179.45 180.17 3a7m h SER 101 N -0.83 0.00 0.08 0.86 0.02 0.78 -1.28 113.55 113.18 3a7m h SER 101 Ca -0.02 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.58 3a7m h SER 101 Cb 1.04 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 3a7m h SER 101 CO 0.02 0.01 -1.93 0.18 -1.14 0.00 0.00 176.83 173.97 3a7m n LEU 102 N -3.51 2.48 -0.10 5.07 4.77 0.19 -3.56 117.00 122.34 3a7m n LEU 102 Ca -0.03 0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 3a7m n LEU 102 Cb 0.09 -1.05 -0.02 0.00 -2.33 0.00 0.00 43.42 40.11 3a7m n LEU 102 CO 0.24 0.73 0.93 0.78 -1.33 0.00 0.00 177.39 178.75 3a7m h ASN 103 N -0.23 0.42 -0.97 -1.43 2.35 -1.03 -1.96 115.58 112.73 3a7m h ASN 103 Ca -0.44 -0.11 0.11 0.00 -0.55 0.00 0.00 56.30 55.30 3a7m h ASN 103 Cb 1.84 -0.11 -0.08 0.00 0.05 0.00 0.00 38.32 40.03 3a7m h ASN 103 CO -0.03 0.41 0.62 -1.13 -1.65 0.00 0.00 177.43 175.66 3a7m h ASN 104 N 0.39 0.91 -0.45 5.81 -0.73 -1.42 -0.50 115.58 119.59 3a7m h ASN 104 Ca 0.11 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 3a7m h ASN 104 Cb 0.10 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 3a7m h ASN 104 CO -0.02 0.51 0.25 0.00 -0.37 0.00 0.00 177.43 177.81 3a7m h ALA 105 N 1.53 0.58 -0.19 1.57 0.00 -1.46 -1.69 119.26 119.60 3a7m h ALA 105 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3a7m h ALA 105 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3a7m h ALA 105 CO -0.22 0.09 0.12 -0.92 0.00 0.00 0.00 179.25 178.32 3a7m h TYR 106 N 0.59 0.24 -0.56 0.00 3.20 -0.39 -2.34 116.97 117.71 3a7m h TYR 106 Ca 0.16 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3a7m h TYR 106 Cb 0.04 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 3a7m h TYR 106 CO -0.02 0.16 0.32 0.78 -1.64 0.00 0.00 178.16 177.75 3a7m h GLY 107 N 0.25 0.83 1.82 1.82 0.00 -1.27 -0.80 103.07 105.72 3a7m h GLY 107 Ca 0.07 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.04 3a7m h GLY 107 CO -0.01 0.35 0.09 -0.09 0.00 0.00 0.00 176.54 176.88 3a7m h ARG 108 N 0.75 0.00 0.00 4.80 2.43 -0.99 0.35 114.38 121.73 3a7m h ARG 108 Ca 0.20 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.15 3a7m h ARG 108 Cb 0.03 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3a7m h ARG 108 CO -0.03 0.00 -1.25 -0.11 -1.51 0.00 0.00 179.97 177.06 3a7m n LEU 109 N -3.20 1.86 -0.04 3.80 7.94 -0.61 -4.38 117.00 122.37 3a7m n LEU 109 Ca -0.02 0.44 -0.11 0.00 -1.11 0.00 0.00 56.01 55.21 3a7m n LEU 109 Cb 0.16 -0.94 -0.05 0.00 0.53 0.00 0.00 43.42 43.11 3a7m n LEU 109 CO 0.20 0.20 0.85 0.77 -1.11 0.00 0.00 177.39 178.30 3a7m h SER 110 N -1.00 0.21 -0.77 1.96 4.64 -0.91 -3.45 113.55 114.24 3a7m h SER 110 Ca -0.33 -0.16 -0.40 0.00 -0.47 0.00 0.00 61.79 60.44 3a7m h SER 110 Cb 1.23 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 3a7m h SER 110 CO -0.20 0.31 1.09 -0.83 -0.87 0.00 0.00 176.83 176.33 3a7m s GLY 111 N -2.66 0.53 -0.22 -0.77 0.00 0.12 -5.06 107.32 99.26 3a7m s GLY 111 Ca -0.14 -1.91 -0.09 0.00 0.00 0.00 0.00 44.72 42.58 3a7m s GLY 111 CO 0.70 3.26 0.49 1.08 0.00 0.00 0.00 173.10 178.64 3a7m s LEU 113 N 8.67 -0.61 0.31 0.66 1.02 -1.26 -4.93 118.68 122.54 3a7m s LEU 113 Ca 0.63 1.14 -0.06 0.00 0.02 0.00 0.00 54.13 55.86 3a7m s LEU 113 Cb -0.03 1.66 -0.05 0.00 0.02 0.00 0.00 46.19 47.78 3a7m s LEU 113 CO 0.01 -0.22 0.59 -0.76 0.02 0.00 0.00 176.35 175.99 3a7m s LEU 114 N 2.16 4.02 -0.32 1.79 1.02 -1.26 -5.09 118.68 121.00 3a7m s LEU 114 Ca -0.06 0.78 -0.09 0.00 0.02 0.00 0.00 54.13 54.78 3a7m s LEU 114 Cb -0.10 -3.61 0.19 0.00 0.02 0.00 0.00 46.19 42.69 3a7m s LEU 114 CO -0.15 -0.23 1.04 0.54 0.02 0.00 0.00 176.35 177.57 3a7m s VAL 115 N -2.13 -0.24 -2.59 -1.59 0.11 -1.26 -5.36 120.40 107.35 3a7m s VAL 115 Ca 0.45 0.00 0.21 0.00 -2.93 0.00 0.00 61.98 59.71 3a7m s VAL 115 Cb -0.11 -0.04 0.16 0.00 -1.53 0.00 0.00 36.38 34.87 3a7m s VAL 115 CO 0.30 0.00 1.16 -0.81 -3.33 0.00 0.00 175.10 172.42