#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhi n SER 2 N 0.00 0.00 0.08 7.83 3.41 -1.26 0.22 113.62 123.90 3dhi n SER 2 Ca 0.00 0.87 -0.12 0.00 -0.26 0.00 0.00 58.87 59.36 3dhi n SER 2 Cb 0.00 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 3dhi n SER 2 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3dhi h THR 3 N 0.00 0.77 -0.38 6.66 2.02 -2.05 0.22 112.91 120.16 3dhi h THR 3 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3dhi h THR 3 Cb 0.00 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3dhi h THR 3 CO 0.00 0.00 0.12 0.25 0.37 0.00 0.00 175.52 176.26 3dhi h LEU 4 N -0.20 0.11 -0.63 2.58 5.85 -1.97 -1.51 115.31 119.54 3dhi h LEU 4 Ca 0.01 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 3dhi h LEU 4 Cb 0.21 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3dhi h LEU 4 CO -0.05 0.10 -0.43 0.00 -0.34 0.00 0.00 178.44 177.72 3dhi h ALA 5 N 1.25 0.81 -0.48 1.25 0.00 0.30 -1.78 119.26 120.61 3dhi h ALA 5 Ca 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3dhi h ALA 5 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dhi h ALA 5 CO -0.19 0.65 0.21 -0.44 0.00 0.00 0.00 179.25 179.48 3dhi h ASP 6 N 0.47 0.65 -0.35 0.00 3.32 -0.68 0.49 116.42 120.32 3dhi h ASP 6 Ca 0.03 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 3dhi h ASP 6 Cb 0.94 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 3dhi h ASP 6 CO 0.08 0.63 -0.06 1.56 -1.72 0.00 0.00 179.24 179.73 3dhi h GLN 7 N 0.64 0.76 -0.40 3.56 4.20 -1.13 -0.29 115.11 122.44 3dhi h GLN 7 Ca 0.16 -0.23 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 3dhi h GLN 7 Cb 0.17 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3dhi h GLN 7 CO -0.02 0.81 -0.31 0.00 -0.67 0.00 0.00 178.83 178.64 3dhi h ALA 8 N 1.23 0.58 -0.24 3.87 0.00 -0.95 -3.22 119.26 120.53 3dhi h ALA 8 Ca 0.13 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3dhi h ALA 8 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3dhi h ALA 8 CO 0.03 0.63 -0.49 1.25 0.00 0.00 0.00 179.25 180.67 3dhi h LEU 9 N 0.74 0.85 -5.79 0.00 5.85 -0.65 -3.36 115.31 112.95 3dhi h LEU 9 Ca 0.07 -0.55 -0.72 0.00 0.84 0.00 0.00 57.88 57.53 3dhi h LEU 9 Cb 0.90 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 3dhi h LEU 9 CO 0.08 1.24 2.96 1.41 -0.34 0.00 0.00 178.44 183.79 3dhi n HIS 10 N -4.12 2.97 -4.45 1.25 8.25 -0.14 -4.86 115.22 114.12 3dhi n HIS 10 Ca -0.05 -2.94 -0.23 0.00 -0.26 0.00 0.00 57.72 54.24 3dhi n HIS 10 Cb 0.59 -2.29 -0.10 0.00 1.12 0.00 0.00 29.99 29.31 3dhi n HIS 10 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3dhi s ASN 11 N 1.96 3.22 -0.18 0.41 4.22 -1.26 -4.92 114.94 118.39 3dhi s ASN 11 Ca 0.52 -1.10 0.14 0.00 -2.14 0.00 0.00 52.86 50.28 3dhi s ASN 11 Cb 0.15 -0.25 0.43 0.00 1.28 0.00 0.00 41.25 42.86 3dhi s ASN 11 CO -0.06 -0.14 1.20 0.59 -2.04 0.00 0.00 177.10 176.65 3dhi n ASN 12 N -0.60 1.93 -4.70 3.54 5.03 -1.26 -4.62 115.26 114.58 3dhi n ASN 12 Ca -0.06 -3.46 -0.42 0.00 0.87 0.00 0.00 54.58 51.51 3dhi n ASN 12 Cb 0.62 -0.46 -0.03 0.00 -1.02 0.00 0.00 39.78 38.88 3dhi n ASN 12 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3dhi s ASN 13 N -3.06 7.13 0.09 6.41 0.02 -1.26 -0.47 114.94 123.80 3dhi s ASN 13 Ca 0.38 1.86 0.04 0.00 -1.02 0.00 0.00 52.86 54.12 3dhi s ASN 13 Cb 0.38 -2.57 -0.03 0.00 0.02 0.00 0.00 41.25 39.04 3dhi s ASN 13 CO -0.08 -0.48 -0.11 0.68 0.02 0.00 0.00 177.10 177.14 3dhi s VAL 14 N 1.53 0.99 0.00 1.60 -7.23 -0.34 -4.40 120.40 112.55 3dhi s VAL 14 Ca 0.56 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 3dhi s VAL 14 Cb -0.26 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.38 3dhi s VAL 14 CO 0.26 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 3dhi n GLY 15 N 0.69 2.35 3.80 2.32 0.00 -0.17 -1.53 105.19 112.66 3dhi n GLY 15 Ca -0.17 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 3dhi n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dhi s PRO 16 N -1.77 4.17 -0.29 1.61 0.04 -1.15 -1.19 135.00 136.42 3dhi s PRO 16 Ca 0.00 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 62.26 3dhi s PRO 16 Cb 0.00 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.24 3dhi s PRO 16 CO 0.00 -0.10 0.05 0.42 0.04 0.00 0.00 177.00 177.42 3dhi s ILE 17 N -1.96 3.68 -0.18 0.56 1.09 -0.15 -1.77 121.20 122.47 3dhi s ILE 17 Ca 0.61 -0.84 -0.08 0.00 -1.10 0.00 0.00 60.65 59.24 3dhi s ILE 17 Cb -0.14 -2.93 -0.04 0.00 -1.06 0.00 0.00 42.46 38.29 3dhi s ILE 17 CO 0.19 0.06 0.07 -0.63 -0.10 0.00 0.00 174.94 174.53 3dhi s ILE 18 N 1.44 4.84 0.14 2.92 -1.09 -0.49 -1.51 121.20 127.45 3dhi s ILE 18 Ca 0.01 -0.02 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 3dhi s ILE 18 Cb -0.17 -3.18 -0.07 0.00 -1.58 0.00 0.00 42.46 37.46 3dhi s ILE 18 CO 0.01 0.46 0.96 0.00 -1.23 0.00 0.00 174.94 175.14 3dhi s ARG 19 N 0.33 4.73 0.02 2.79 1.70 -0.86 -0.97 118.95 126.69 3dhi s ARG 19 Ca 0.04 1.47 -0.38 0.00 -0.47 0.00 0.00 55.73 56.39 3dhi s ARG 19 Cb -0.12 -3.35 -0.19 0.00 -0.57 0.00 0.00 34.95 30.71 3dhi s ARG 19 CO -0.00 0.28 0.99 0.00 -1.08 0.00 0.00 175.30 175.49 3dhi n ALA 20 N 2.48 -3.50 0.00 7.88 0.00 0.05 -4.66 120.51 122.76 3dhi n ALA 20 Ca 0.01 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3dhi n ALA 20 Cb 0.49 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3dhi n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhi n GLY 21 N 1.51 -0.16 0.00 0.00 0.00 -1.26 -4.96 105.19 100.32 3dhi n GLY 21 Ca 0.19 -1.16 0.15 0.00 0.00 0.00 0.00 46.02 45.20 3dhi n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dhi n ASP 22 N 0.00 0.02 -0.01 1.61 3.85 -1.26 -3.08 116.55 117.68 3dhi n ASP 22 Ca 0.00 -0.08 0.11 0.00 -0.71 0.00 0.00 54.79 54.11 3dhi n ASP 22 Cb 0.00 -0.30 0.11 0.00 -1.35 0.00 0.00 41.12 39.57 3dhi n ASP 22 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3dhi n LEU 23 N -1.30 0.72 0.41 -2.12 7.99 -1.26 -4.48 117.00 116.95 3dhi n LEU 23 Ca 0.13 -0.21 -0.16 0.00 -0.01 0.00 0.00 56.01 55.76 3dhi n LEU 23 Cb 0.26 -0.15 -0.08 0.00 -0.11 0.00 0.00 43.42 43.34 3dhi n LEU 23 CO 0.24 0.18 0.49 0.58 -1.51 0.00 0.00 177.39 177.36 3dhi h VAL 24 N 0.05 0.00 -0.26 4.08 2.07 -1.81 -0.69 116.25 119.69 3dhi h VAL 24 Ca 0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3dhi h VAL 24 Cb 0.50 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3dhi h VAL 24 CO 0.00 0.00 0.11 -0.33 0.02 0.00 0.00 177.57 177.37 3dhi h GLU 25 N -1.12 0.39 -0.85 1.57 4.39 -1.82 -1.90 114.58 115.24 3dhi h GLU 25 Ca -0.11 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.62 3dhi h GLU 25 Cb 0.81 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.33 3dhi h GLU 25 CO 0.18 0.42 0.55 -1.35 -1.16 0.00 0.00 179.01 177.65 3dhi h PRO 26 N 0.27 0.78 -0.30 2.33 0.11 -1.78 -1.36 132.00 132.06 3dhi h PRO 26 Ca 0.09 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.99 3dhi h PRO 26 Cb 0.18 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3dhi h PRO 26 CO -0.01 0.51 -0.44 0.28 -0.21 0.00 0.00 178.00 178.14 3dhi h VAL 27 N 0.80 1.29 -0.04 3.15 2.07 -0.84 -0.37 116.25 122.31 3dhi h VAL 27 Ca 0.40 -1.63 0.03 0.00 0.82 0.00 0.00 66.70 66.32 3dhi h VAL 27 Cb 0.45 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 3dhi h VAL 27 CO -0.16 0.53 -0.17 0.40 0.02 0.00 0.00 177.57 178.19 3dhi h ILE 28 N 0.60 0.58 -0.83 4.57 2.04 -0.93 0.11 117.51 123.65 3dhi h ILE 28 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3dhi h ILE 28 Cb 1.04 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 3dhi h ILE 28 CO 0.10 0.00 0.54 -0.33 0.00 0.00 0.00 178.15 178.46 3dhi h GLU 29 N -0.26 1.05 -0.59 2.37 5.08 -1.19 -2.03 114.58 119.02 3dhi h GLU 29 Ca 0.07 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3dhi h GLU 29 Cb 0.35 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3dhi h GLU 29 CO -0.19 0.69 0.09 1.15 -1.00 0.00 0.00 179.01 179.75 3dhi h THR 30 N 1.08 1.26 -0.66 1.13 2.02 -0.74 -1.13 112.91 115.87 3dhi h THR 30 Ca 0.32 -1.00 0.03 0.00 0.77 0.00 0.00 66.41 66.54 3dhi h THR 30 Cb -0.05 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 3dhi h THR 30 CO -0.09 0.37 0.41 0.00 0.37 0.00 0.00 175.52 176.57 3dhi h ALA 31 N 1.01 0.86 0.12 6.16 0.00 -0.50 0.11 119.26 127.02 3dhi h ALA 31 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3dhi h ALA 31 Cb 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dhi h ALA 31 CO 0.01 0.16 -0.06 0.93 0.00 0.00 0.00 179.25 180.29 3dhi h GLU 32 N 0.79 -0.15 -0.41 0.00 5.08 -1.07 -2.93 114.58 115.89 3dhi h GLU 32 Ca 0.27 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 3dhi h GLU 32 Cb 0.04 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3dhi h GLU 32 CO -0.11 0.03 0.11 0.82 -1.00 0.00 0.00 179.01 178.86 3dhi h ILE 33 N -0.30 1.22 -0.00 3.13 2.04 -0.88 -3.20 117.51 119.52 3dhi h ILE 33 Ca -0.02 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3dhi h ILE 33 Cb 0.25 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3dhi h ILE 33 CO 0.03 0.26 -0.09 0.47 0.00 0.00 0.00 178.15 178.82 3dhi n ASP 34 N -4.57 0.58 -3.14 1.72 8.00 0.36 -4.00 116.55 115.50 3dhi n ASP 34 Ca -0.00 -0.76 -0.23 0.00 0.71 0.00 0.00 54.79 54.50 3dhi n ASP 34 Cb 0.19 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 3dhi n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dhi n ASN 35 N -0.79 2.43 -4.76 -2.24 4.13 -1.11 -4.75 115.26 108.16 3dhi n ASN 35 Ca 0.16 -3.26 -0.38 0.00 1.68 0.00 0.00 54.58 52.78 3dhi n ASN 35 Cb 0.27 -0.61 0.02 0.00 -1.54 0.00 0.00 39.78 37.92 3dhi n ASN 35 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3dhi s PRO 36 N -2.60 3.52 -1.95 3.52 0.04 -1.25 -1.42 135.00 134.86 3dhi s PRO 36 Ca 0.42 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.61 3dhi s PRO 36 Cb 0.27 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3dhi s PRO 36 CO -0.09 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.50 3dhi n GLY 37 N 0.63 1.78 3.46 0.56 0.00 -1.26 -4.99 105.19 105.37 3dhi n GLY 37 Ca 0.08 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3dhi n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dhi s LYS 38 N -3.55 3.17 -0.00 1.61 -0.14 -0.51 -5.11 119.74 115.21 3dhi s LYS 38 Ca 0.00 -0.62 -0.30 0.00 -1.36 0.00 0.00 55.97 53.69 3dhi s LYS 38 Cb 0.00 -2.64 -0.04 0.00 -1.68 0.00 0.00 37.83 33.47 3dhi s LYS 38 CO 0.00 0.38 1.21 -2.00 -0.76 0.00 0.00 175.35 174.18 3dhi s GLU 39 N -0.07 4.38 -0.21 1.68 2.12 -1.26 -4.98 118.70 120.37 3dhi s GLU 39 Ca -0.01 1.73 -0.10 0.00 0.36 0.00 0.00 54.97 56.95 3dhi s GLU 39 Cb -0.14 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 3dhi s GLU 39 CO 0.03 -0.37 0.12 0.42 -0.54 0.00 0.00 175.26 174.92 3dhi s ILE 40 N 1.76 5.26 -0.03 -3.70 -1.09 -1.26 -4.53 121.20 117.61 3dhi s ILE 40 Ca 0.57 0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 59.13 3dhi s ILE 40 Cb -0.27 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 3dhi s ILE 40 CO 0.25 0.42 0.05 0.42 -1.23 0.00 0.00 174.94 174.85 3dhi s THR 41 N 0.56 4.58 -0.07 2.92 -4.23 -0.00 -4.96 115.64 114.45 3dhi s THR 41 Ca 0.07 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 3dhi s THR 41 Cb -0.12 -3.05 0.02 0.00 1.34 0.00 0.00 72.50 70.70 3dhi s THR 41 CO 0.00 0.42 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.76 3dhi s VAL 42 N -1.10 0.66 -0.19 2.29 1.01 -1.26 -1.14 120.40 120.67 3dhi s VAL 42 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 3dhi s VAL 42 Cb -0.12 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 3dhi s VAL 42 CO 0.10 0.28 -0.10 -1.61 0.00 0.00 0.00 175.10 173.77 3dhi s GLU 43 N 1.29 3.30 -0.37 2.72 2.02 -0.15 -4.97 118.70 122.53 3dhi s GLU 43 Ca -0.05 -0.69 -0.16 0.00 0.02 0.00 0.00 54.97 54.10 3dhi s GLU 43 Cb -0.14 -2.81 -0.00 0.00 0.10 0.00 0.00 34.13 31.28 3dhi s GLU 43 CO -0.02 -0.09 0.39 0.34 0.02 0.00 0.00 175.26 175.90 3dhi s ASP 44 N 1.13 6.19 -0.16 -0.19 3.68 -1.26 -1.06 116.67 125.00 3dhi s ASP 44 Ca 0.01 -0.38 0.16 0.00 2.13 0.00 0.00 52.55 54.47 3dhi s ASP 44 Cb -0.14 -2.21 0.52 0.00 -1.45 0.00 0.00 42.92 39.64 3dhi s ASP 44 CO -0.03 -0.42 1.43 0.54 0.13 0.00 0.00 175.17 176.81 3dhi n ARG 45 N 5.46 3.05 0.00 4.34 5.12 0.17 -5.01 116.66 129.79 3dhi n ARG 45 Ca -0.08 -2.77 0.00 0.00 -1.93 0.00 0.00 57.85 53.07 3dhi n ARG 45 Cb 0.49 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 3dhi n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3dhi n ARG 46 N -0.29 0.00 0.23 5.56 0.63 -1.26 -4.00 116.66 117.52 3dhi n ARG 46 Ca 0.21 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.27 3dhi n ARG 46 Cb 0.86 0.00 0.33 0.00 0.45 0.00 0.00 32.46 34.10 3dhi n ARG 46 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3dhi h ALA 47 N 0.00 1.00 -2.59 5.13 0.00 -1.96 -3.41 119.26 117.43 3dhi h ALA 47 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3dhi h ALA 47 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 3dhi h ALA 47 CO 0.00 0.00 0.15 1.52 0.00 0.00 0.00 179.25 180.92 3dhi s TYR 48 N -3.33 -0.53 -0.07 0.00 -0.85 -1.26 -0.77 117.35 110.55 3dhi s TYR 48 Ca 0.06 0.56 0.05 0.00 -0.52 0.00 0.00 57.07 57.21 3dhi s TYR 48 Cb 0.07 0.45 -0.00 0.00 0.38 0.00 0.00 41.96 42.85 3dhi s TYR 48 CO 0.62 -0.72 -0.21 0.14 -1.52 0.00 0.00 175.55 173.86 3dhi s VAL 49 N -2.72 1.80 -0.44 -3.49 -7.23 -0.15 -0.66 120.40 107.52 3dhi s VAL 49 Ca -0.04 -0.90 -0.16 0.00 -1.81 0.00 0.00 61.98 59.07 3dhi s VAL 49 Cb -0.01 -1.55 0.04 0.00 0.56 0.00 0.00 36.38 35.42 3dhi s VAL 49 CO -0.04 0.50 0.41 -0.60 -0.31 0.00 0.00 175.10 175.07 3dhi s ARG 50 N 0.16 3.04 -0.15 4.82 3.52 -0.22 -1.40 118.95 128.71 3dhi s ARG 50 Ca -0.10 -0.99 -0.03 0.00 -0.13 0.00 0.00 55.73 54.48 3dhi s ARG 50 Cb -0.15 -4.03 -0.02 0.00 -1.56 0.00 0.00 34.95 29.19 3dhi s ARG 50 CO 0.05 -0.91 -0.06 0.42 -0.81 0.00 0.00 175.30 173.99 3dhi s ILE 51 N 1.96 3.69 0.03 4.11 1.01 -0.73 -0.98 121.20 130.30 3dhi s ILE 51 Ca 0.09 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 3dhi s ILE 51 Cb -0.20 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.67 3dhi s ILE 51 CO 0.11 0.50 0.21 0.00 0.00 0.00 0.00 174.94 175.75 3dhi s ALA 52 N 0.39 -0.42 0.16 9.38 0.00 -0.30 -2.92 121.76 128.05 3dhi s ALA 52 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3dhi s ALA 52 Cb -0.15 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3dhi s ALA 52 CO 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 175.76 175.49 3dhi s ALA 53 N -2.40 1.13 -0.17 0.00 0.00 -0.58 -0.82 121.76 118.92 3dhi s ALA 53 Ca -0.06 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.04 3dhi s ALA 53 Cb -0.02 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 3dhi s ALA 53 CO -0.03 -0.43 1.23 -2.00 0.00 0.00 0.00 175.76 174.53 3dhi s GLU 54 N -4.01 4.24 0.00 0.00 2.56 -1.26 -1.20 118.70 119.03 3dhi s GLU 54 Ca 0.26 1.63 0.00 0.00 0.00 0.00 0.00 54.97 56.86 3dhi s GLU 54 Cb 0.07 -3.74 0.00 0.00 2.00 0.00 0.00 34.13 32.46 3dhi s GLU 54 CO 0.04 -0.68 0.00 0.41 -0.56 0.00 0.00 175.26 174.47 3dhi n GLY 55 N 3.56 1.31 3.39 -1.50 0.00 0.38 -4.82 105.19 107.52 3dhi n GLY 55 Ca 0.13 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 3dhi n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dhi s GLU 56 N 0.00 0.72 -0.12 1.61 2.12 -1.26 -1.90 118.70 119.87 3dhi s GLU 56 Ca 0.00 0.38 -0.05 0.00 0.36 0.00 0.00 54.97 55.66 3dhi s GLU 56 Cb 0.00 0.34 0.06 0.00 0.26 0.00 0.00 34.13 34.79 3dhi s GLU 56 CO 0.00 -0.16 0.25 -1.17 -0.54 0.00 0.00 175.26 173.65 3dhi s LEU 57 N -0.47 -0.04 -0.03 2.70 0.20 -0.20 -4.73 118.68 116.11 3dhi s LEU 57 Ca -0.06 0.56 -0.00 0.00 0.69 0.00 0.00 54.13 55.32 3dhi s LEU 57 Cb -0.03 0.70 -0.04 0.00 -0.43 0.00 0.00 46.19 46.39 3dhi s LEU 57 CO 0.04 -0.21 0.03 -0.63 -0.29 0.00 0.00 176.35 175.28 3dhi s ILE 58 N 1.99 4.40 -0.13 6.68 -1.09 -1.26 -1.23 121.20 130.55 3dhi s ILE 58 Ca -0.03 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 3dhi s ILE 58 Cb -0.11 -2.94 0.02 0.00 -1.58 0.00 0.00 42.46 37.85 3dhi s ILE 58 CO -0.08 0.44 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.19 3dhi s LEU 59 N -1.40 1.52 0.10 2.97 1.43 -0.02 -4.66 118.68 118.62 3dhi s LEU 59 Ca 0.19 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.78 3dhi s LEU 59 Cb -0.12 -1.06 -0.06 0.00 0.03 0.00 0.00 46.19 44.98 3dhi s LEU 59 CO 0.09 -0.07 0.40 0.42 0.23 0.00 0.00 176.35 177.42 3dhi s THR 60 N 1.54 5.10 0.23 5.49 -4.23 -1.26 -0.75 115.64 121.75 3dhi s THR 60 Ca 0.04 0.35 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 3dhi s THR 60 Cb -0.13 -3.64 0.18 0.00 1.34 0.00 0.00 72.50 70.25 3dhi s THR 60 CO -0.10 0.20 1.82 -0.09 -0.54 0.00 0.00 174.62 175.92 3dhi h ARG 61 N 3.42 0.77 -0.47 3.99 2.43 -1.02 -1.28 114.38 122.21 3dhi h ARG 61 Ca -0.48 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.62 3dhi h ARG 61 Cb 1.18 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3dhi h ARG 61 CO 0.68 0.51 0.20 -0.22 -1.51 0.00 0.00 179.97 179.63 3dhi h LYS 62 N 0.80 0.70 -0.34 0.20 3.64 -1.94 -0.04 116.57 119.58 3dhi h LYS 62 Ca 0.34 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3dhi h LYS 62 Cb 0.21 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3dhi h LYS 62 CO -0.19 0.62 0.01 1.15 -2.27 0.00 0.00 179.45 178.77 3dhi h THR 63 N 0.62 1.25 -0.36 1.00 2.02 -1.91 -1.93 112.91 113.60 3dhi h THR 63 Ca 0.16 -0.94 0.02 0.00 0.77 0.00 0.00 66.41 66.42 3dhi h THR 63 Cb 0.17 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3dhi h THR 63 CO -0.02 0.31 0.20 -0.07 0.37 0.00 0.00 175.52 176.31 3dhi h LEU 64 N 0.41 0.30 -0.55 2.58 3.38 -0.97 -0.28 115.31 120.18 3dhi h LEU 64 Ca 0.10 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3dhi h LEU 64 Cb 0.43 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3dhi h LEU 64 CO 0.02 0.22 0.30 -0.08 0.09 0.00 0.00 178.44 178.99 3dhi h GLU 65 N 0.40 0.57 -0.46 1.13 4.81 -0.92 0.13 114.58 120.24 3dhi h GLU 65 Ca 0.15 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3dhi h GLU 65 Cb 0.03 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3dhi h GLU 65 CO -0.09 0.38 0.29 1.49 -0.73 0.00 0.00 179.01 180.35 3dhi h GLU 66 N 0.59 0.57 0.00 1.92 4.81 -0.74 -0.93 114.58 120.79 3dhi h GLU 66 Ca 0.24 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 3dhi h GLU 66 Cb 0.10 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3dhi h GLU 66 CO -0.14 0.38 -0.66 1.96 -0.73 0.00 0.00 179.01 179.82 3dhi h GLN 67 N 0.59 0.00 -0.02 1.92 1.08 -0.69 -3.04 115.11 114.95 3dhi h GLN 67 Ca 0.18 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.19 3dhi h GLN 67 Cb -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3dhi h GLN 67 CO -0.06 0.66 -0.81 -0.07 -0.95 0.00 0.00 178.83 177.61 3dhi h LEU 68 N 0.00 0.32 0.00 1.46 3.38 -0.66 -3.42 115.31 116.38 3dhi h LEU 68 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3dhi h LEU 68 Cb 1.21 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3dhi h LEU 68 CO 0.09 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.22 3dhi n GLY 69 N 0.72 0.49 3.27 0.83 0.00 -0.36 -5.05 105.19 105.08 3dhi n GLY 69 Ca -0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 3dhi n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dhi s ARG 70 N -0.97 0.94 0.23 1.61 1.70 -1.22 -5.06 118.95 116.18 3dhi s ARG 70 Ca 0.00 -0.76 -0.31 0.00 -0.47 0.00 0.00 55.73 54.18 3dhi s ARG 70 Cb 0.00 0.40 -0.14 0.00 -0.57 0.00 0.00 34.95 34.64 3dhi s ARG 70 CO 0.00 -0.34 1.29 -2.30 -1.08 0.00 0.00 175.30 172.88 3dhi n PRO 71 N -0.03 1.72 -3.71 3.89 -0.02 -1.26 -4.72 135.00 130.87 3dhi n PRO 71 Ca -0.16 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 61.81 3dhi n PRO 71 Cb 0.63 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.79 3dhi n PRO 71 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3dhi s PHE 72 N -0.24 -0.42 -0.07 6.00 5.36 -1.26 -5.08 117.98 122.27 3dhi s PHE 72 Ca 0.68 0.95 -0.03 0.00 -0.96 0.00 0.00 56.93 57.57 3dhi s PHE 72 Cb -0.71 0.09 -0.04 0.00 -0.34 0.00 0.00 43.02 42.02 3dhi s PHE 72 CO 0.52 -0.29 0.08 -0.80 -1.46 0.00 0.00 175.22 173.28 3dhi s ASN 73 N 1.54 5.83 0.36 6.13 0.01 -1.26 -4.88 114.94 122.67 3dhi s ASN 73 Ca -0.07 0.27 0.09 0.00 -0.71 0.00 0.00 52.86 52.43 3dhi s ASN 73 Cb -0.10 -1.75 0.83 0.00 0.41 0.00 0.00 41.25 40.63 3dhi s ASN 73 CO -0.10 0.35 1.89 -0.03 -1.51 0.00 0.00 177.10 177.70 3dhi h MET 74 N 4.68 0.66 0.00 -0.60 4.05 -1.89 -1.04 114.93 120.79 3dhi h MET 74 Ca -0.52 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 58.84 3dhi h MET 74 Cb 1.20 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.85 3dhi h MET 74 CO 0.59 0.44 -0.11 0.37 0.23 0.00 0.00 176.91 178.42 3dhi h GLN 75 N 0.68 0.00 0.00 0.39 5.75 -1.92 -1.83 115.11 118.18 3dhi h GLN 75 Ca 0.42 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 3dhi h GLN 75 Cb 0.65 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.20 3dhi h GLN 75 CO -0.18 0.11 0.00 0.93 -2.65 0.00 0.00 178.83 177.04 3dhi h GLU 76 N 0.00 0.00 -0.02 1.69 5.08 -1.61 -2.77 114.58 116.96 3dhi h GLU 76 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dhi h GLU 76 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3dhi h GLU 76 CO 0.01 0.00 0.01 1.25 -1.00 0.00 0.00 179.01 179.29 3dhi h LEU 77 N 0.00 0.00 -0.86 1.33 5.85 -1.47 -1.43 115.31 118.73 3dhi h LEU 77 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3dhi h LEU 77 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3dhi h LEU 77 CO 0.00 0.00 0.00 -1.84 -0.34 0.00 0.00 178.44 176.26 3dhi n GLU 78 N -4.12 0.11 0.23 1.25 0.28 -1.05 -0.71 120.64 116.63 3dhi n GLU 78 Ca -0.03 0.54 0.07 0.00 -0.16 0.00 0.00 57.16 57.58 3dhi n GLU 78 Cb 0.10 -1.80 0.54 0.00 1.43 0.00 0.00 31.44 31.71 3dhi n GLU 78 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3dhi h ILE 79 N 0.00 0.99 0.00 3.84 2.04 -1.51 -3.33 117.51 119.54 3dhi h ILE 79 Ca 0.00 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3dhi h ILE 79 Cb 0.08 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3dhi h ILE 79 CO 0.00 0.20 0.00 0.59 0.00 0.00 0.00 178.15 178.94 3dhi n ASN 80 N -4.05 0.34 -4.49 1.72 3.02 0.11 -4.93 115.26 106.97 3dhi n ASN 80 Ca -0.02 -0.66 -0.43 0.00 -0.03 0.00 0.00 54.58 53.44 3dhi n ASN 80 Cb 0.28 0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 39.88 3dhi n ASN 80 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3dhi s LEU 81 N -0.89 4.57 0.25 3.41 2.96 -0.07 -2.03 118.68 126.87 3dhi s LEU 81 Ca 0.00 -2.19 0.07 0.00 -0.22 0.00 0.00 54.13 51.79 3dhi s LEU 81 Cb 0.00 -2.46 0.28 0.00 0.50 0.00 0.00 46.19 44.51 3dhi s LEU 81 CO 0.00 -1.10 1.57 0.00 -1.32 0.00 0.00 176.35 175.50 3dhi h ALA 82 N 8.50 0.89 -2.62 5.97 0.00 -1.60 -3.47 119.26 126.92 3dhi h ALA 82 Ca 0.24 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3dhi h ALA 82 Cb 0.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3dhi h ALA 82 CO 1.25 0.76 0.26 0.45 0.00 0.00 0.00 179.25 181.97 3dhi n SER 83 N -3.83 -1.60 -3.49 0.00 2.88 -1.12 -5.03 113.62 101.43 3dhi n SER 83 Ca -0.02 -2.05 -0.14 0.00 -1.33 0.00 0.00 58.87 55.33 3dhi n SER 83 Cb 0.63 2.65 -0.04 0.00 -0.75 0.00 0.00 64.21 66.69 3dhi n SER 83 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3dhi s PHE 84 N -3.76 -0.55 -0.09 0.66 -0.12 -1.26 -0.98 117.98 111.87 3dhi s PHE 84 Ca 0.13 0.70 -0.05 0.00 -0.05 0.00 0.00 56.93 57.65 3dhi s PHE 84 Cb -0.03 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 3dhi s PHE 84 CO 0.08 -0.65 0.12 0.00 -0.05 0.00 0.00 175.22 174.72 3dhi s ALA 85 N -2.27 3.79 0.00 1.99 0.00 -0.33 -4.95 121.76 119.99 3dhi s ALA 85 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3dhi s ALA 85 Cb -0.01 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3dhi s ALA 85 CO -0.01 0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.80 3dhi n GLY 86 N 1.82 1.69 3.83 0.00 0.00 -1.26 -1.00 105.19 110.27 3dhi n GLY 86 Ca -0.18 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 3dhi n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhi s GLN 87 N -2.32 3.22 -0.00 1.61 -0.21 0.14 -4.76 119.66 117.34 3dhi s GLN 87 Ca 0.00 0.96 0.08 0.00 0.02 0.00 0.00 55.36 56.42 3dhi s GLN 87 Cb 0.00 -2.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.96 3dhi s GLN 87 CO 0.00 -0.87 -0.26 -1.50 -2.12 0.00 0.00 175.29 170.54 3dhi s ILE 88 N -2.94 2.04 -0.05 1.08 2.07 -1.26 -0.99 121.20 121.16 3dhi s ILE 88 Ca 0.58 -1.17 -0.02 0.00 -1.41 0.00 0.00 60.65 58.63 3dhi s ILE 88 Cb -0.13 -1.71 0.04 0.00 0.13 0.00 0.00 42.46 40.78 3dhi s ILE 88 CO 0.50 0.51 0.09 -1.58 -1.91 0.00 0.00 174.94 172.55 3dhi s GLN 89 N -0.79 -0.03 0.01 3.50 0.74 -0.17 -5.01 119.66 117.92 3dhi s GLN 89 Ca 0.10 0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.94 3dhi s GLN 89 Cb -0.10 -0.38 -0.01 0.00 1.10 0.00 0.00 33.01 33.62 3dhi s GLN 89 CO -0.00 -0.29 -0.07 0.00 -0.55 0.00 0.00 175.29 174.38 3dhi s ALA 90 N 1.98 0.58 0.00 1.58 0.00 -1.26 -0.46 121.76 124.18 3dhi s ALA 90 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3dhi s ALA 90 Cb -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3dhi s ALA 90 CO -0.04 0.09 0.00 -0.40 0.00 0.00 0.00 175.76 175.41 3dhi n ASP 91 N 2.37 0.00 0.27 0.00 3.85 -0.55 -5.02 116.55 117.47 3dhi n ASP 91 Ca -0.17 -1.00 0.15 0.00 -0.71 0.00 0.00 54.79 53.07 3dhi n ASP 91 Cb 0.57 0.00 0.75 0.00 -1.35 0.00 0.00 41.12 41.09 3dhi n ASP 91 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3dhi h GLU 92 N 0.00 0.00 0.00 0.11 4.11 -2.01 -3.21 114.58 113.58 3dhi h GLU 92 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.12 3dhi h GLU 92 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3dhi h GLU 92 CO 0.00 0.08 -2.21 -0.25 0.07 0.00 0.00 179.01 176.70 3dhi n ASP 93 N -3.33 0.15 -3.60 3.06 8.00 -1.26 -4.41 116.55 115.15 3dhi n ASP 93 Ca -0.01 0.07 -0.06 0.00 0.71 0.00 0.00 54.79 55.50 3dhi n ASP 93 Cb 0.26 0.94 -0.02 0.00 -0.02 0.00 0.00 41.12 42.29 3dhi n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dhi s GLN 94 N -2.64 0.94 -0.03 -1.24 -2.07 -1.21 -0.39 119.66 113.02 3dhi s GLN 94 Ca -0.09 -0.43 0.07 0.00 -1.82 0.00 0.00 55.36 53.09 3dhi s GLN 94 Cb 0.07 0.38 -0.02 0.00 -1.09 0.00 0.00 33.01 32.35 3dhi s GLN 94 CO 0.84 -0.42 -0.24 0.42 -1.32 0.00 0.00 175.29 174.57 3dhi s ILE 95 N -3.15 2.25 -0.14 3.63 1.01 0.07 -1.48 121.20 123.39 3dhi s ILE 95 Ca 0.08 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.72 3dhi s ILE 95 Cb -0.01 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.67 3dhi s ILE 95 CO -0.05 0.58 -0.19 -0.60 0.00 0.00 0.00 174.94 174.68 3dhi s ARG 96 N -0.61 2.73 -0.18 2.79 3.52 0.39 -0.84 118.95 126.76 3dhi s ARG 96 Ca 0.09 -0.74 -0.07 0.00 -0.13 0.00 0.00 55.73 54.88 3dhi s ARG 96 Cb -0.10 -2.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.98 3dhi s ARG 96 CO -0.00 -0.07 0.06 -0.06 -0.81 0.00 0.00 175.30 174.42 3dhi s PHE 97 N 0.98 3.26 0.18 5.12 0.40 -0.37 -1.00 117.98 126.56 3dhi s PHE 97 Ca -0.04 0.10 -0.19 0.00 -0.60 0.00 0.00 56.93 56.20 3dhi s PHE 97 Cb -0.15 -2.06 0.04 0.00 0.51 0.00 0.00 43.02 41.35 3dhi s PHE 97 CO -0.04 0.19 0.54 1.52 0.70 0.00 0.00 175.22 178.13 3dhi s TYR 98 N 0.27 -0.22 0.08 0.36 -0.85 -0.16 -1.04 117.35 115.79 3dhi s TYR 98 Ca 0.04 -0.10 0.10 0.00 -0.52 0.00 0.00 57.07 56.59 3dhi s TYR 98 Cb -0.12 0.43 -0.03 0.00 0.38 0.00 0.00 41.96 42.62 3dhi s TYR 98 CO 0.00 -0.90 -0.26 -0.06 -1.52 0.00 0.00 175.55 172.82 3dhi s PHE 99 N -3.84 2.25 0.05 -3.49 0.08 -0.80 0.25 117.98 112.49 3dhi s PHE 99 Ca 0.07 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.66 3dhi s PHE 99 Cb -0.01 -1.30 -0.29 0.00 -0.57 0.00 0.00 43.02 40.85 3dhi s PHE 99 CO -0.06 0.20 1.05 -0.44 -0.10 0.00 0.00 175.22 175.87 3dhi h ASP 100 N 4.45 0.47 -2.43 1.36 3.32 -2.00 -3.48 116.42 118.12 3dhi h ASP 100 Ca -0.48 -0.54 -0.53 0.00 0.02 0.00 0.00 57.03 55.51 3dhi h ASP 100 Cb 1.15 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 3dhi h ASP 100 CO 0.42 1.43 -0.51 -0.54 -1.72 0.00 0.00 179.24 178.31 3dhi s LYS 101 N -2.64 3.10 -0.23 3.56 1.02 -1.26 -5.11 119.74 118.17 3dhi s LYS 101 Ca -0.06 -0.86 -0.02 0.00 0.02 0.00 0.00 55.97 55.05 3dhi s LYS 101 Cb 0.07 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.67 3dhi s LYS 101 CO 0.88 0.46 -0.07 0.99 -0.92 0.00 0.00 175.35 176.69 3dhi s THR 102 N -1.91 2.92 -2.09 2.17 2.01 -1.26 -5.03 115.64 112.46 3dhi s THR 102 Ca 0.33 -0.88 0.17 0.00 0.31 0.00 0.00 61.69 61.62 3dhi s THR 102 Cb -0.09 -2.42 0.13 0.00 0.01 0.00 0.00 72.50 70.13 3dhi s THR 102 CO 0.26 0.29 1.03 0.23 -0.69 0.00 0.00 174.62 175.74