#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1x s VAL 3 N 0.00 5.13 -0.45 5.09 1.01 -1.26 -4.89 120.40 125.03 1x1x s VAL 3 Ca 0.00 0.94 -0.05 0.00 0.00 0.00 0.00 61.98 62.87 1x1x s VAL 3 Cb 0.00 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.67 1x1x s VAL 3 CO 0.00 0.22 0.28 -0.63 0.00 0.00 0.00 175.10 174.98 1x1x s ILE 4 N 1.32 3.67 -0.04 2.22 1.01 -1.26 -4.89 121.20 123.23 1x1x s ILE 4 Ca 0.24 -2.05 0.06 0.00 0.00 0.00 0.00 60.65 58.90 1x1x s ILE 4 Cb -0.15 -3.46 0.09 0.00 0.01 0.00 0.00 42.46 38.94 1x1x s ILE 4 CO 0.10 -0.74 0.95 -0.46 0.00 0.00 0.00 174.94 174.78 1x1x n ASN 5 N 4.60 1.08 -4.95 3.58 6.94 -1.26 -4.72 115.26 120.53 1x1x n ASN 5 Ca -0.03 -2.13 -0.25 0.00 -0.02 0.00 0.00 54.58 52.16 1x1x n ASN 5 Cb 0.41 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 37.61 1x1x n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1x1x s THR 6 N -1.05 5.28 0.12 5.53 -4.23 -1.26 -1.11 115.64 118.93 1x1x s THR 6 Ca 0.10 -0.73 -0.28 0.00 -1.18 0.00 0.00 61.69 59.60 1x1x s THR 6 Cb 0.08 -3.78 -0.06 0.00 1.34 0.00 0.00 72.50 70.08 1x1x s THR 6 CO 0.01 -0.19 1.61 -0.26 -0.54 0.00 0.00 174.62 175.25 1x1x h PHE 7 N 1.78 -0.90 -0.04 3.99 0.04 -1.97 -0.70 116.94 119.13 1x1x h PHE 7 Ca -0.49 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.30 1x1x h PHE 7 Cb 1.21 0.40 -0.00 0.00 2.20 0.00 0.00 35.95 39.75 1x1x h PHE 7 CO 0.51 -0.42 0.02 0.22 -0.60 0.00 0.00 178.31 178.04 1x1x h ASP 8 N -0.49 0.06 0.25 2.17 3.58 -1.98 0.20 116.42 120.21 1x1x h ASP 8 Ca 0.06 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.37 1x1x h ASP 8 Cb 0.57 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 1x1x h ASP 8 CO -0.26 0.19 -0.31 1.23 -2.88 0.00 0.00 179.24 177.21 1x1x h GLY 9 N -0.08 -0.67 1.13 -0.78 0.00 -1.95 0.23 103.07 100.95 1x1x h GLY 9 Ca 0.01 0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.63 1x1x h GLY 9 CO -0.00 -0.26 0.12 -2.08 0.00 0.00 0.00 176.54 174.32 1x1x h VAL 10 N -0.61 1.26 -0.40 4.60 2.07 -1.15 0.39 116.25 122.41 1x1x h VAL 10 Ca -0.00 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.54 1x1x h VAL 10 Cb 0.58 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1x1x h VAL 10 CO -0.09 0.38 0.23 0.00 0.02 0.00 0.00 177.57 178.10 1x1x h ALA 11 N 1.12 0.50 -0.56 1.67 0.00 -0.68 0.28 119.26 121.59 1x1x h ALA 11 Ca 0.20 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1x1x h ALA 11 Cb 0.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1x1x h ALA 11 CO 0.01 -0.11 0.07 0.22 0.00 0.00 0.00 179.25 179.44 1x1x h ASP 12 N 0.46 0.87 -0.35 0.00 1.82 0.01 -1.22 116.42 118.01 1x1x h ASP 12 Ca 0.16 -0.19 -0.12 0.00 -0.39 0.00 0.00 57.03 56.48 1x1x h ASP 12 Cb 0.02 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 1x1x h ASP 12 CO -0.08 0.88 -0.26 0.22 -1.61 0.00 0.00 179.24 178.39 1x1x h TYR 13 N 0.86 0.93 -0.66 0.28 5.03 0.50 -2.08 116.97 121.83 1x1x h TYR 13 Ca 0.17 -0.26 -0.03 0.00 2.58 0.00 0.00 58.73 61.19 1x1x h TYR 13 Cb 0.40 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.45 1x1x h TYR 13 CO 0.02 1.02 0.28 -0.07 -1.32 0.00 0.00 178.16 178.10 1x1x h LEU 14 N 0.58 0.89 -1.23 2.82 3.38 -0.30 -0.25 115.31 121.19 1x1x h LEU 14 Ca 0.07 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1x1x h LEU 14 Cb 0.83 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1x1x h LEU 14 CO 0.07 0.80 -0.02 -0.61 0.09 0.00 0.00 178.44 178.77 1x1x h GLN 15 N 0.92 0.50 0.02 1.13 4.15 -1.12 0.24 115.11 120.95 1x1x h GLN 15 Ca 0.22 -0.11 -0.17 0.00 0.77 0.00 0.00 58.65 59.36 1x1x h GLN 15 Cb 0.18 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1x1x h GLN 15 CO -0.02 0.54 -0.93 1.15 -1.93 0.00 0.00 178.83 177.64 1x1x h THR 16 N 0.47 1.19 0.00 2.39 2.02 -1.11 -3.40 112.91 114.47 1x1x h THR 16 Ca 0.10 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 65.01 1x1x h THR 16 Cb 0.35 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1x1x h THR 16 CO 0.01 0.47 -1.43 -1.22 0.37 0.00 0.00 175.52 173.73 1x1x n TYR 17 N -4.38 0.45 -3.21 3.16 4.01 -0.13 -4.99 117.16 112.07 1x1x n TYR 17 Ca -0.24 0.13 -0.14 0.00 -0.16 0.00 0.00 57.90 57.48 1x1x n TYR 17 Cb 0.67 -0.68 0.08 0.00 -0.31 0.00 0.00 39.34 39.09 1x1x n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1x1x n HIS 18 N -2.39 -1.88 0.00 -0.72 8.25 0.85 -5.00 115.22 114.34 1x1x n HIS 18 Ca -0.01 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 58.24 1x1x n HIS 18 Cb 0.54 -4.61 0.00 0.00 1.12 0.00 0.00 29.99 27.04 1x1x n HIS 18 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1x1x n LYS 19 N -3.64 0.00 -1.59 -0.41 2.85 -1.25 -5.07 118.16 109.05 1x1x n LYS 19 Ca -0.24 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.71 1x1x n LYS 19 Cb 0.64 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 35.07 1x1x n LYS 19 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1x1x s LEU 20 N 0.00 3.14 0.94 -5.58 1.43 -1.26 -4.03 118.68 113.32 1x1x s LEU 20 Ca 0.00 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.60 1x1x s LEU 20 Cb 0.00 -4.50 0.15 0.00 0.03 0.00 0.00 46.19 41.88 1x1x s LEU 20 CO 0.00 -1.43 1.11 -2.16 0.23 0.00 0.00 176.35 174.10 1x1x s PRO 21 N -5.01 0.94 0.64 1.29 0.04 -1.26 -4.93 135.00 126.70 1x1x s PRO 21 Ca 0.58 0.48 0.37 0.00 0.04 0.00 0.00 61.00 62.46 1x1x s PRO 21 Cb -0.14 -1.80 2.05 0.00 0.04 0.00 0.00 34.50 34.65 1x1x s PRO 21 CO 0.54 -2.38 2.22 -0.44 0.04 0.00 0.00 177.00 176.99 1x1x h ASP 22 N -1.63 0.00 0.00 6.66 5.19 -1.96 -2.94 116.42 121.74 1x1x h ASP 22 Ca -0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1x1x h ASP 22 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1x1x h ASP 22 CO 0.59 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.25 1x1x n ASN 23 N -3.32 0.43 -4.46 6.45 6.94 -1.26 -4.83 115.26 115.22 1x1x n ASN 23 Ca -0.02 -1.98 -0.32 0.00 -0.02 0.00 0.00 54.58 52.25 1x1x n ASN 23 Cb 0.18 -0.21 -0.13 0.00 -2.36 0.00 0.00 39.78 37.25 1x1x n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1x1x s TYR 24 N -1.57 2.61 -0.03 -2.53 2.02 -1.11 -1.20 117.35 115.54 1x1x s TYR 24 Ca 0.00 -0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 56.44 1x1x s TYR 24 Cb 0.00 -1.54 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1x1x s TYR 24 CO 0.00 0.21 0.09 0.96 -1.57 0.00 0.00 175.55 175.24 1x1x s ILE 25 N -0.83 0.02 0.87 2.71 -4.36 -0.39 -4.91 121.20 114.30 1x1x s ILE 25 Ca 0.13 -0.14 -0.11 0.00 -0.26 0.00 0.00 60.65 60.28 1x1x s ILE 25 Cb -0.11 -0.18 0.11 0.00 1.25 0.00 0.00 42.46 43.53 1x1x s ILE 25 CO 0.03 -0.07 1.10 0.42 0.24 0.00 0.00 174.94 176.66 1x1x s THR 26 N -0.20 2.77 0.24 8.37 -4.23 -1.18 -1.79 115.64 119.62 1x1x s THR 26 Ca -0.03 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 60.68 1x1x s THR 26 Cb -0.02 -2.60 0.22 0.00 1.34 0.00 0.00 72.50 71.44 1x1x s THR 26 CO 0.00 -0.33 1.87 0.11 -0.54 0.00 0.00 174.62 175.74 1x1x h LYS 27 N -1.52 1.04 0.01 3.99 1.57 -1.96 -1.45 116.57 118.25 1x1x h LYS 27 Ca -0.46 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1x1x h LYS 27 Cb 1.26 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1x1x h LYS 27 CO 0.50 0.69 -0.13 1.03 -0.57 0.00 0.00 179.45 180.97 1x1x h SER 28 N 1.07 -0.37 -0.80 0.86 0.87 -1.99 0.69 113.55 113.88 1x1x h SER 28 Ca 0.37 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1x1x h SER 28 Cb 0.09 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 1x1x h SER 28 CO -0.15 -0.19 0.48 -0.33 -0.53 0.00 0.00 176.83 176.12 1x1x h GLU 29 N -0.22 1.08 -0.57 2.24 5.08 -1.81 -0.15 114.58 120.22 1x1x h GLU 29 Ca 0.04 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1x1x h GLU 29 Cb 0.28 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1x1x h GLU 29 CO -0.12 0.76 0.09 0.00 -1.00 0.00 0.00 179.01 178.74 1x1x h ALA 30 N 1.26 0.76 -0.51 3.43 0.00 -1.00 -2.00 119.26 121.20 1x1x h ALA 30 Ca 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1x1x h ALA 30 Cb -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1x1x h ALA 30 CO -0.05 0.51 0.24 0.37 0.00 0.00 0.00 179.25 180.32 1x1x h GLN 31 N 0.85 0.71 0.00 0.00 4.15 -0.33 0.93 115.11 121.42 1x1x h GLN 31 Ca 0.17 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1x1x h GLN 31 Cb 0.42 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 1x1x h GLN 31 CO 0.01 0.56 -0.00 0.00 -1.93 0.00 0.00 178.83 177.47 1x1x h ALA 32 N 1.55 1.00 -0.00 3.38 0.00 -0.32 -1.66 119.26 123.21 1x1x h ALA 32 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1x1x h ALA 32 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1x1x h ALA 32 CO -0.02 0.01 -0.47 1.28 0.00 0.00 0.00 179.25 180.04 1x1x n LEU 33 N -3.10 0.49 0.00 0.00 4.32 0.23 -4.91 117.00 114.03 1x1x n LEU 33 Ca -0.00 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1x1x n LEU 33 Cb 0.24 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 1x1x n LEU 33 CO 0.25 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 1x1x n GLY 34 N 1.49 1.36 3.71 -0.72 0.00 -0.63 -4.92 105.19 105.49 1x1x n GLY 34 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1x1x n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x1x s TRP 35 N -2.00 3.38 -0.29 1.61 -0.00 -0.63 -4.99 118.94 116.02 1x1x s TRP 35 Ca 0.00 1.19 -0.01 0.00 -0.00 0.00 0.00 56.10 57.28 1x1x s TRP 35 Cb 0.00 -3.50 0.09 0.00 -0.00 0.00 0.00 33.47 30.06 1x1x s TRP 35 CO 0.00 -1.63 0.07 0.08 -0.00 0.00 0.00 176.95 175.47 1x1x s VAL 36 N 1.05 0.91 0.18 5.86 1.01 -1.26 -4.44 120.40 123.71 1x1x s VAL 36 Ca 0.60 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 1x1x s VAL 36 Cb -0.32 -1.60 0.11 0.00 0.00 0.00 0.00 36.38 34.56 1x1x s VAL 36 CO 0.30 -0.56 1.38 0.00 0.00 0.00 0.00 175.10 176.22 1x1x n ALA 37 N 4.85 -0.29 0.15 5.51 0.00 -1.26 -0.04 120.51 129.44 1x1x n ALA 37 Ca -0.04 0.84 0.09 0.00 0.00 0.00 0.00 53.44 54.34 1x1x n ALA 37 Cb 0.43 -0.29 0.50 0.00 0.00 0.00 0.00 19.45 20.09 1x1x n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x1x n SER 38 N -5.24 0.48 0.01 0.00 3.41 -1.26 -0.65 113.62 110.36 1x1x n SER 38 Ca 0.06 0.70 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 1x1x n SER 38 Cb 0.31 -0.74 -0.10 0.00 -0.26 0.00 0.00 64.21 63.42 1x1x n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x1x n LYS 39 N -2.16 0.36 -3.63 4.33 5.02 0.95 -4.98 118.16 118.05 1x1x n LYS 39 Ca -0.01 -0.08 -0.27 0.00 -2.02 0.00 0.00 58.31 55.93 1x1x n LYS 39 Cb 0.10 -1.54 0.03 0.00 -0.02 0.00 0.00 35.03 33.60 1x1x n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x1x n GLY 40 N 1.36 -0.51 1.93 0.72 0.00 0.17 -4.87 105.19 103.99 1x1x n GLY 40 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1x1x n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1x n ASN 41 N -2.71 5.29 -0.01 1.61 6.94 -1.26 -3.74 115.26 121.38 1x1x n ASN 41 Ca 0.00 -3.03 -0.09 0.00 -0.02 0.00 0.00 54.58 51.45 1x1x n ASN 41 Cb 0.55 -0.71 -0.03 0.00 -2.36 0.00 0.00 39.78 37.23 1x1x n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1x1x h LEU 42 N 3.37 -0.52 -0.92 -4.53 5.85 -1.89 -1.59 115.31 115.08 1x1x h LEU 42 Ca 0.11 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1x1x h LEU 42 Cb 2.11 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 43.36 1x1x h LEU 42 CO 0.59 -0.21 0.36 0.00 -0.34 0.00 0.00 178.44 178.84 1x1x h ALA 43 N 0.87 1.15 -0.63 1.25 0.00 -1.83 0.79 119.26 120.85 1x1x h ALA 43 Ca 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1x1x h ALA 43 Cb 0.35 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1x1x h ALA 43 CO -0.27 0.63 0.42 -0.44 0.00 0.00 0.00 179.25 179.60 1x1x h ASP 44 N 1.13 0.71 0.00 0.00 3.32 -1.74 0.10 116.42 119.94 1x1x h ASP 44 Ca 0.27 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1x1x h ASP 44 Cb 0.14 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1x1x h ASP 44 CO -0.03 0.51 -0.86 0.55 -1.72 0.00 0.00 179.24 177.68 1x1x n VAL 45 N -4.45 0.00 -2.90 -1.35 3.14 -0.65 -4.70 118.33 107.42 1x1x n VAL 45 Ca 0.07 -0.10 -0.13 0.00 -2.96 0.00 0.00 64.34 61.21 1x1x n VAL 45 Cb 0.06 0.96 0.01 0.00 -1.06 0.00 0.00 33.84 33.81 1x1x n VAL 45 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x1x n ALA 46 N -1.44 -0.21 -1.76 1.55 0.00 0.27 -4.93 120.51 113.99 1x1x n ALA 46 Ca 0.03 -2.01 -0.41 0.00 0.00 0.00 0.00 53.44 51.05 1x1x n ALA 46 Cb 0.28 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 1x1x n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x1x s PRO 47 N 0.14 4.12 0.00 0.00 0.04 0.32 -2.09 135.00 137.54 1x1x s PRO 47 Ca 0.33 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.95 1x1x s PRO 47 Cb 0.19 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1x1x s PRO 47 CO -0.20 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1x1x n GLY 48 N 2.18 0.95 3.97 0.56 0.00 -1.26 -5.03 105.19 106.56 1x1x n GLY 48 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1x1x n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1x s LYS 49 N -0.10 3.14 0.02 1.61 -0.14 -0.89 -4.75 119.74 118.64 1x1x s LYS 49 Ca 0.00 -0.99 -0.12 0.00 -1.36 0.00 0.00 55.97 53.50 1x1x s LYS 49 Cb 0.00 -2.79 0.01 0.00 -1.68 0.00 0.00 37.83 33.37 1x1x s LYS 49 CO 0.00 0.15 0.24 -1.12 -0.76 0.00 0.00 175.35 173.87 1x1x s SER 50 N -4.10 -0.06 0.23 2.83 0.01 -0.34 -4.85 113.70 107.41 1x1x s SER 50 Ca 0.42 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 1x1x s SER 50 Cb -0.09 0.30 -0.09 0.00 0.21 0.00 0.00 66.02 66.35 1x1x s SER 50 CO 0.30 -0.52 1.22 -0.63 0.41 0.00 0.00 173.24 174.02 1x1x s ILE 51 N -2.07 3.33 0.00 1.44 1.09 -1.26 -1.26 121.20 122.47 1x1x s ILE 51 Ca -0.09 1.19 0.00 0.00 -1.10 0.00 0.00 60.65 60.66 1x1x s ILE 51 Cb -0.03 -3.76 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 1x1x s ILE 51 CO -0.01 0.23 0.00 0.61 -0.10 0.00 0.00 174.94 175.67 1x1x n GLY 52 N 1.76 1.54 0.00 6.18 0.00 -0.74 0.62 105.19 114.55 1x1x n GLY 52 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1x1x n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1x n GLY 53 N -0.24 0.30 3.83 -0.02 0.00 0.20 -3.08 105.19 106.18 1x1x n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1x1x n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x1x s ASP 54 N -2.17 6.06 0.26 1.61 1.01 -1.22 -4.75 116.67 117.47 1x1x s ASP 54 Ca 0.00 1.62 -0.30 0.00 0.71 0.00 0.00 52.55 54.58 1x1x s ASP 54 Cb 0.00 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 1x1x s ASP 54 CO 0.00 -0.98 1.43 -0.63 0.21 0.00 0.00 175.17 175.20 1x1x s ILE 55 N -2.77 2.64 -0.30 0.77 1.09 -1.26 -1.51 121.20 119.86 1x1x s ILE 55 Ca 0.59 0.55 -0.08 0.00 -1.10 0.00 0.00 60.65 60.61 1x1x s ILE 55 Cb -0.13 -3.35 0.00 0.00 -1.06 0.00 0.00 42.46 37.93 1x1x s ILE 55 CO 0.42 0.09 0.10 0.12 -0.10 0.00 0.00 174.94 175.58 1x1x s PHE 56 N -0.15 3.15 -2.02 3.97 5.36 0.11 -4.78 117.98 123.63 1x1x s PHE 56 Ca 0.58 -0.82 0.26 0.00 -0.96 0.00 0.00 56.93 56.00 1x1x s PHE 56 Cb -0.42 -2.29 1.55 0.00 -0.34 0.00 0.00 43.02 41.52 1x1x s PHE 56 CO 0.45 -0.53 2.00 0.43 -1.46 0.00 0.00 175.22 176.11 1x1x n SER 57 N 4.91 0.09 -4.32 6.13 7.64 -1.26 -4.05 113.62 122.74 1x1x n SER 57 Ca -0.14 -1.19 -0.33 0.00 1.01 0.00 0.00 58.87 58.22 1x1x n SER 57 Cb 0.48 -0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.59 1x1x n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x1x n ASN 58 N -0.85 0.28 0.05 6.43 5.15 -1.26 -4.74 115.26 120.31 1x1x n ASN 58 Ca 0.20 -1.24 0.21 0.00 -0.60 0.00 0.00 54.58 53.14 1x1x n ASN 58 Cb 0.10 -1.75 0.64 0.00 -0.53 0.00 0.00 39.78 38.25 1x1x n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1x1x h ARG 59 N -1.64 0.00 -0.31 1.20 3.08 -2.01 0.13 114.38 114.83 1x1x h ARG 59 Ca -0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.40 1x1x h ARG 59 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1x1x h ARG 59 CO 0.74 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 180.03 1x1x n GLU 60 N -3.44 2.95 -1.69 0.04 1.02 -1.26 -4.96 120.64 113.30 1x1x n GLU 60 Ca 0.10 -2.49 -0.20 0.00 -0.02 0.00 0.00 57.16 54.55 1x1x n GLU 60 Cb 0.85 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.61 1x1x n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x1x n GLY 61 N 0.00 1.54 0.30 0.62 0.00 0.45 -4.87 105.19 103.23 1x1x n GLY 61 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 1x1x n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x1x h LYS 62 N 0.00 1.00 -6.97 1.61 1.57 -1.93 -3.44 116.57 108.41 1x1x h LYS 62 Ca -0.41 -0.30 -0.45 0.00 -1.87 0.00 0.00 60.65 57.61 1x1x h LYS 62 Cb 1.29 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1x1x h LYS 62 CO 0.58 0.98 0.32 -0.51 -0.57 0.00 0.00 179.45 180.26 1x1x s LEU 63 N -9.28 4.09 0.01 2.94 1.43 -1.26 -4.98 118.68 111.64 1x1x s LEU 63 Ca -0.11 1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 54.40 1x1x s LEU 63 Cb 0.14 -4.31 -0.08 0.00 0.03 0.00 0.00 46.19 41.97 1x1x s LEU 63 CO 0.85 -0.24 1.93 -2.16 0.23 0.00 0.00 176.35 176.95 1x1x s PRO 64 N -2.75 4.10 0.21 1.29 0.04 -1.26 -4.98 135.00 131.66 1x1x s PRO 64 Ca 0.57 2.52 -0.07 0.00 0.04 0.00 0.00 61.00 64.06 1x1x s PRO 64 Cb -0.13 -4.15 -0.06 0.00 0.04 0.00 0.00 34.50 30.21 1x1x s PRO 64 CO 0.17 -0.99 0.49 0.20 0.04 0.00 0.00 177.00 176.91 1x1x s GLY 65 N 4.44 2.18 -0.06 0.56 0.00 -1.26 -5.10 107.32 108.08 1x1x s GLY 65 Ca 0.87 -0.42 -0.21 0.00 0.00 0.00 0.00 44.72 44.95 1x1x s GLY 65 CO 0.39 -0.31 0.48 1.25 0.00 0.00 0.00 173.10 174.91 1x1x s LYS 66 N -2.91 0.79 0.03 2.90 2.20 -1.26 -5.08 119.74 116.41 1x1x s LYS 66 Ca 0.45 0.15 -0.30 0.00 -0.36 0.00 0.00 55.97 55.91 1x1x s LYS 66 Cb -0.11 0.37 -0.08 0.00 -1.51 0.00 0.00 37.83 36.49 1x1x s LYS 66 CO 0.24 -0.21 1.87 0.45 -0.36 0.00 0.00 175.35 177.34 1x1x s SER 67 N -0.95 6.50 0.00 1.43 0.15 -1.26 -1.11 113.70 118.46 1x1x s SER 67 Ca -0.10 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.13 1x1x s SER 67 Cb -0.03 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1x1x s SER 67 CO 0.06 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1x1x n GLY 68 N 4.39 0.97 3.69 9.45 0.00 -1.26 -5.04 105.19 117.39 1x1x n GLY 68 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1x1x n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x1x s ARG 69 N -0.51 4.24 0.11 1.61 3.52 -0.27 -4.94 118.95 122.71 1x1x s ARG 69 Ca 0.00 0.39 0.10 0.00 -0.13 0.00 0.00 55.73 56.09 1x1x s ARG 69 Cb 0.00 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 1x1x s ARG 69 CO 0.00 -0.02 -0.24 0.95 -0.81 0.00 0.00 175.30 175.18 1x1x s THR 70 N 1.22 2.00 0.20 4.11 -4.23 -1.26 -4.70 115.64 112.98 1x1x s THR 70 Ca 0.24 -1.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.21 1x1x s THR 70 Cb -0.15 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 1x1x s THR 70 CO 0.10 0.04 -0.07 0.26 -0.54 0.00 0.00 174.62 174.40 1x1x s TRP 71 N -1.09 2.65 0.18 3.99 0.52 -1.26 -0.37 118.94 123.57 1x1x s TRP 71 Ca 0.10 -0.22 -0.00 0.00 0.02 0.00 0.00 56.10 56.00 1x1x s TRP 71 Cb -0.10 -1.26 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 1x1x s TRP 71 CO 0.05 0.54 0.07 1.03 0.02 0.00 0.00 176.95 178.66 1x1x s ARG 72 N -3.04 1.11 0.14 4.98 0.52 -0.57 0.06 118.95 122.15 1x1x s ARG 72 Ca 0.27 -1.56 -0.02 0.00 -0.52 0.00 0.00 55.73 53.89 1x1x s ARG 72 Cb -0.08 0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.42 1x1x s ARG 72 CO 0.16 -0.28 0.10 -1.83 0.02 0.00 0.00 175.30 173.48 1x1x s GLU 73 N -4.05 0.96 -0.03 3.54 -1.05 -0.57 -2.31 118.70 115.19 1x1x s GLU 73 Ca 0.30 -1.39 -0.23 0.00 -0.15 0.00 0.00 54.97 53.51 1x1x s GLU 73 Cb 0.07 0.27 0.05 0.00 -0.44 0.00 0.00 34.13 34.07 1x1x s GLU 73 CO 0.07 -0.29 0.49 0.00 0.95 0.00 0.00 175.26 176.48 1x1x s ALA 74 N -4.03 -1.27 0.29 -0.84 0.00 -0.74 0.61 121.76 115.77 1x1x s ALA 74 Ca 0.23 0.82 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 1x1x s ALA 74 Cb 0.07 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.13 1x1x s ALA 74 CO 0.01 -0.32 1.05 -0.51 0.00 0.00 0.00 175.76 175.99 1x1x s ASP 75 N -1.26 7.28 -0.00 0.00 1.11 0.20 -0.76 116.67 123.23 1x1x s ASP 75 Ca -0.12 2.13 0.08 0.00 0.18 0.00 0.00 52.55 54.82 1x1x s ASP 75 Cb -0.03 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 1x1x s ASP 75 CO 0.07 -0.12 -0.24 -0.63 1.18 0.00 0.00 175.17 175.43 1x1x s ILE 76 N -1.27 1.91 -0.08 0.77 -1.09 -0.49 -4.70 121.20 116.26 1x1x s ILE 76 Ca 0.46 -1.10 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 1x1x s ILE 76 Cb -0.28 -1.60 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 1x1x s ILE 76 CO 0.36 0.48 0.00 0.59 -1.23 0.00 0.00 174.94 175.13 1x1x n ASN 77 N 2.31 -4.05 -4.72 3.58 5.03 -0.26 -4.42 115.26 112.72 1x1x n ASN 77 Ca -0.16 0.02 -0.41 0.00 0.87 0.00 0.00 54.58 54.90 1x1x n ASN 77 Cb 0.52 -1.62 -0.04 0.00 -1.02 0.00 0.00 39.78 37.62 1x1x n ASN 77 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1x1x s TYR 78 N -1.70 3.76 0.10 3.10 5.04 -1.26 -4.92 117.35 121.46 1x1x s TYR 78 Ca 0.00 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 1x1x s TYR 78 Cb 0.00 -3.05 0.00 0.00 0.35 0.00 0.00 41.96 39.26 1x1x s TYR 78 CO 0.00 0.15 0.00 0.25 -1.34 0.00 0.00 175.55 174.61 1x1x n THR 79 N 3.12 1.20 -3.81 4.34 -2.24 -1.26 -4.94 114.28 110.69 1x1x n THR 79 Ca 0.03 0.40 -0.06 0.00 -2.27 0.00 0.00 64.05 62.15 1x1x n THR 79 Cb 0.50 -1.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.13 1x1x n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x1x s SER 80 N -5.97 -0.24 0.00 3.42 1.04 -1.26 -4.73 113.70 105.96 1x1x s SER 80 Ca 0.00 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1x1x s SER 80 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1x1x s SER 80 CO 0.00 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1x1x n GLY 81 N -0.46 0.08 3.79 7.32 0.00 -1.25 -4.85 105.19 109.83 1x1x n GLY 81 Ca -0.05 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 1x1x n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1x s PHE 82 N 0.00 3.68 0.73 1.61 0.08 -1.26 -4.54 117.98 118.29 1x1x s PHE 82 Ca 0.00 1.61 -0.15 0.00 0.12 0.00 0.00 56.93 58.51 1x1x s PHE 82 Cb 0.00 -2.79 0.04 0.00 -0.57 0.00 0.00 43.02 39.70 1x1x s PHE 82 CO 0.00 0.28 1.21 1.03 -0.10 0.00 0.00 175.22 177.63 1x1x s ARG 83 N -1.98 2.12 0.00 0.44 0.52 -1.26 -5.01 118.95 113.78 1x1x s ARG 83 Ca 0.46 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 1x1x s ARG 83 Cb -0.18 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.46 1x1x s ARG 83 CO 0.23 -1.85 0.00 0.27 0.02 0.00 0.00 175.30 173.97 1x1x n ASN 84 N -2.74 0.03 -1.56 0.23 0.23 -1.26 -5.04 115.26 105.15 1x1x n ASN 84 Ca 0.13 -0.46 0.09 0.00 -0.53 0.00 0.00 54.58 53.81 1x1x n ASN 84 Cb 0.50 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.56 1x1x n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1x1x n SER 85 N -1.37 4.76 -4.71 0.53 3.41 -1.26 -4.95 113.62 110.03 1x1x n SER 85 Ca 0.00 -2.48 -0.35 0.00 -0.26 0.00 0.00 58.87 55.78 1x1x n SER 85 Cb 0.00 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.29 1x1x n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x1x s ASP 86 N -0.95 6.11 -0.02 4.04 1.01 -1.26 -2.59 116.67 123.02 1x1x s ASP 86 Ca 0.51 0.19 -0.07 0.00 0.71 0.00 0.00 52.55 53.89 1x1x s ASP 86 Cb 0.33 -2.07 0.01 0.00 1.01 0.00 0.00 42.92 42.19 1x1x s ASP 86 CO 0.24 0.17 0.15 -0.13 0.21 0.00 0.00 175.17 175.81 1x1x s ARG 87 N 0.43 0.42 -0.12 8.23 1.81 -0.57 -1.39 118.95 127.75 1x1x s ARG 87 Ca 0.07 -0.23 -0.01 0.00 -1.72 0.00 0.00 55.73 53.85 1x1x s ARG 87 Cb -0.11 0.18 -0.02 0.00 -0.45 0.00 0.00 34.95 34.54 1x1x s ARG 87 CO -0.01 -0.09 -0.09 -1.50 -0.68 0.00 0.00 175.30 172.93 1x1x s ILE 88 N -0.99 3.46 -0.17 1.52 2.07 0.06 -1.41 121.20 125.72 1x1x s ILE 88 Ca -0.11 -0.53 -0.02 0.00 -1.41 0.00 0.00 60.65 58.58 1x1x s ILE 88 Cb -0.06 -2.46 -0.01 0.00 0.13 0.00 0.00 42.46 40.06 1x1x s ILE 88 CO 0.01 0.53 -0.09 -0.76 -1.91 0.00 0.00 174.94 172.72 1x1x s LEU 89 N 0.06 2.79 -0.01 8.50 2.01 0.15 -1.79 118.68 130.39 1x1x s LEU 89 Ca -0.03 -0.36 0.04 0.00 0.01 0.00 0.00 54.13 53.79 1x1x s LEU 89 Cb -0.14 -1.67 -0.01 0.00 0.01 0.00 0.00 46.19 44.38 1x1x s LEU 89 CO 0.04 0.08 -0.12 -0.72 1.01 0.00 0.00 176.35 176.63 1x1x s TYR 90 N 0.87 1.10 0.46 0.29 1.13 -0.98 0.10 117.35 120.33 1x1x s TYR 90 Ca -0.02 -0.21 0.06 0.00 -1.41 0.00 0.00 57.07 55.49 1x1x s TYR 90 Cb -0.15 -0.71 0.02 0.00 -1.10 0.00 0.00 41.96 40.02 1x1x s TYR 90 CO 0.00 -0.02 0.64 -1.54 -2.51 0.00 0.00 175.55 172.12 1x1x s SER 91 N -0.29 5.52 0.50 -0.18 1.04 -0.24 -1.52 113.70 118.52 1x1x s SER 91 Ca 0.05 -0.34 0.19 0.00 0.48 0.00 0.00 55.95 56.33 1x1x s SER 91 Cb -0.05 -0.66 1.25 0.00 0.10 0.00 0.00 66.02 66.67 1x1x s SER 91 CO -0.00 -0.90 2.08 0.77 0.98 0.00 0.00 173.24 176.17 1x1x h SER 92 N 0.46 0.00 -0.64 7.02 4.64 -1.05 0.29 113.55 124.27 1x1x h SER 92 Ca -0.40 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.75 1x1x h SER 92 Cb 1.28 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.27 1x1x h SER 92 CO 0.46 0.10 0.22 -0.90 -0.87 0.00 0.00 176.83 175.84 1x1x n ASP 93 N -4.22 4.61 -3.40 4.97 5.75 -1.26 -4.94 116.55 118.06 1x1x n ASP 93 Ca -0.03 -3.04 -0.24 0.00 -0.01 0.00 0.00 54.79 51.47 1x1x n ASP 93 Cb 0.18 -0.72 0.06 0.00 -1.03 0.00 0.00 41.12 39.61 1x1x n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1x1x n TRP 94 N -0.01 -2.46 -3.01 2.11 7.02 0.09 -5.01 117.44 116.17 1x1x n TRP 94 Ca 0.35 0.80 -0.36 0.00 -1.02 0.00 0.00 57.50 57.27 1x1x n TRP 94 Cb 1.25 -4.68 -0.06 0.00 -2.42 0.00 0.00 31.31 25.40 1x1x n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1x1x s LEU 95 N -7.05 4.29 -0.07 -0.99 1.43 -1.26 -4.81 118.68 110.22 1x1x s LEU 95 Ca 0.48 1.52 0.01 0.00 -1.03 0.00 0.00 54.13 55.11 1x1x s LEU 95 Cb -0.22 -3.79 0.02 0.00 0.03 0.00 0.00 46.19 42.23 1x1x s LEU 95 CO 0.59 -0.04 -0.09 -0.63 0.23 0.00 0.00 176.35 176.42 1x1x s ILE 96 N -1.63 0.95 0.36 -0.59 1.01 -0.91 -1.08 121.20 119.32 1x1x s ILE 96 Ca 0.47 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.83 1x1x s ILE 96 Cb -0.16 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 1x1x s ILE 96 CO 0.21 0.33 0.07 -0.31 0.00 0.00 0.00 174.94 175.23 1x1x s TYR 97 N 1.05 1.95 0.07 3.97 1.51 0.29 -1.26 117.35 124.93 1x1x s TYR 97 Ca -0.08 -1.02 -0.10 0.00 -1.01 0.00 0.00 57.07 54.87 1x1x s TYR 97 Cb -0.14 -1.31 0.00 0.00 -0.11 0.00 0.00 41.96 40.40 1x1x s TYR 97 CO -0.01 -0.02 0.22 -1.59 -1.11 0.00 0.00 175.55 173.04 1x1x s LYS 98 N -3.84 0.81 -0.04 -0.62 -2.85 -0.81 0.30 119.74 112.70 1x1x s LYS 98 Ca 0.31 -0.80 -0.03 0.00 -1.00 0.00 0.00 55.97 54.46 1x1x s LYS 98 Cb 0.07 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 36.19 1x1x s LYS 98 CO 0.15 -0.26 0.10 -0.08 0.10 0.00 0.00 175.35 175.36 1x1x s THR 99 N -3.33 -0.01 -0.01 3.79 -1.32 -0.50 -2.31 115.64 111.95 1x1x s THR 99 Ca 0.01 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1x1x s THR 99 Cb 0.02 -0.15 0.00 0.00 -1.51 0.00 0.00 72.50 70.86 1x1x s THR 99 CO -0.08 0.01 0.60 0.35 -2.21 0.00 0.00 174.62 173.29 1x1x n THR 100 N 3.24 0.19 -2.14 5.08 -2.24 -1.26 -1.52 114.28 115.63 1x1x n THR 100 Ca -0.15 -0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 60.81 1x1x n THR 100 Cb 0.58 0.90 0.02 0.00 -2.10 0.00 0.00 70.33 69.73 1x1x n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x1x n ASP 101 N -0.09 4.67 -3.66 3.42 3.85 -1.24 -4.65 116.55 118.84 1x1x n ASP 101 Ca 0.00 -3.64 -0.29 0.00 -0.71 0.00 0.00 54.79 50.15 1x1x n ASP 101 Cb 0.05 -0.37 0.04 0.00 -1.35 0.00 0.00 41.12 39.50 1x1x n ASP 101 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 1x1x n HIS 102 N -0.66 -1.95 -1.33 2.11 -0.00 -1.07 -2.48 115.22 109.85 1x1x n HIS 102 Ca 0.41 0.52 -0.11 0.00 -0.00 0.00 0.00 57.72 58.53 1x1x n HIS 102 Cb 0.91 -3.56 -0.05 0.00 -0.00 0.00 0.00 29.99 27.30 1x1x n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1x1x n TYR 103 N -4.11 0.00 -0.03 1.57 4.02 -1.26 -4.89 117.16 112.45 1x1x n TYR 103 Ca -0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.63 1x1x n TYR 103 Cb 0.60 -2.43 -0.10 0.00 -0.02 0.00 0.00 39.34 37.39 1x1x n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1x1x h GLN 104 N 0.07 0.24 -4.51 -0.72 4.20 -1.90 -3.47 115.11 109.01 1x1x h GLN 104 Ca -0.23 -0.22 -0.25 0.00 0.06 0.00 0.00 58.65 58.02 1x1x h GLN 104 Cb 0.97 0.05 -0.20 0.00 0.30 0.00 0.00 27.48 28.61 1x1x h GLN 104 CO 0.34 0.90 -0.72 0.95 -0.67 0.00 0.00 178.83 179.63 1x1x s THR 105 N -3.39 0.52 -0.00 -0.54 -4.23 -1.26 -5.12 115.64 101.62 1x1x s THR 105 Ca -0.15 -1.27 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1x1x s THR 105 Cb 0.02 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 73.02 1x1x s THR 105 CO 0.75 -0.52 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.83 1x1x s PHE 106 N -1.95 1.11 -0.02 3.99 0.08 -1.26 -4.48 117.98 115.44 1x1x s PHE 106 Ca -0.05 -0.23 0.04 0.00 0.12 0.00 0.00 56.93 56.80 1x1x s PHE 106 Cb -0.06 -0.70 -0.01 0.00 -0.57 0.00 0.00 43.02 41.68 1x1x s PHE 106 CO -0.01 -0.01 -0.15 0.95 -0.10 0.00 0.00 175.22 175.90 1x1x s THR 107 N -0.39 1.22 0.22 0.64 -4.23 -0.98 -4.94 115.64 107.18 1x1x s THR 107 Ca 0.04 -0.63 -0.30 0.00 -1.18 0.00 0.00 61.69 59.62 1x1x s THR 107 Cb -0.05 -1.03 -0.09 0.00 1.34 0.00 0.00 72.50 72.66 1x1x s THR 107 CO -0.00 0.35 1.23 -0.75 -0.54 0.00 0.00 174.62 174.90 1x1x s LYS 108 N -0.15 4.47 0.00 3.99 2.20 -1.26 -1.93 119.74 127.07 1x1x s LYS 108 Ca 0.01 1.96 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 1x1x s LYS 108 Cb -0.08 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1x1x s LYS 108 CO 0.00 -0.09 0.16 0.44 -0.36 0.00 0.00 175.35 175.50 1x1x n ILE 109 N 2.08 0.00 -1.42 5.43 -5.35 -0.39 -4.96 119.36 114.76 1x1x n ILE 109 Ca 0.03 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1x1x n ILE 109 Cb 0.44 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 1x1x n ILE 109 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65