#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6n n ARG 23 N 0.00 0.00 -1.76 1.96 1.85 -1.26 -5.14 116.66 112.31 3a6n n ARG 23 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 3a6n n ARG 23 Cb 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.47 3a6n n ARG 23 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3a6n s ASP 24 N 0.00 4.79 0.12 2.89 1.01 -1.26 -4.97 116.67 119.25 3a6n s ASP 24 Ca 0.00 2.34 -0.13 0.00 0.71 0.00 0.00 52.55 55.46 3a6n s ASP 24 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3a6n s ASP 24 CO 0.00 -1.86 1.49 0.78 0.21 0.00 0.00 175.17 175.79 3a6n h ASN 25 N 0.34 0.82 0.50 0.27 2.35 -2.00 -2.90 115.58 114.95 3a6n h ASN 25 Ca -0.49 -0.41 -0.05 0.00 -0.55 0.00 0.00 56.30 54.79 3a6n h ASN 25 Cb 1.29 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 3a6n h ASN 25 CO 0.53 1.05 -0.26 -0.29 -1.65 0.00 0.00 177.43 176.81 3a6n h ILE 26 N 0.58 0.86 0.00 2.81 2.10 -1.96 0.26 117.51 122.17 3a6n h ILE 26 Ca 0.08 -1.00 0.00 0.00 1.08 0.00 0.00 64.86 65.02 3a6n h ILE 26 Cb 0.75 1.59 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 3a6n h ILE 26 CO 0.06 0.25 0.00 0.00 -1.08 0.00 0.00 178.15 177.38 3a6n n GLN 27 N -3.77 0.09 0.26 2.19 1.13 -1.11 -1.45 117.38 114.73 3a6n n GLN 27 Ca -0.01 0.30 0.14 0.00 -1.94 0.00 0.00 57.00 55.48 3a6n n GLN 27 Cb 0.36 -1.66 0.68 0.00 0.11 0.00 0.00 30.24 29.72 3a6n n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3a6n h GLY 28 N 2.70 0.00 -7.29 1.08 0.00 -0.34 -3.34 103.07 95.87 3a6n h GLY 28 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 3a6n h GLY 28 CO 0.00 0.00 0.81 -0.42 0.00 0.00 0.00 176.54 176.93 3a6n s ILE 29 N -3.92 4.23 0.71 2.60 1.01 -0.53 -4.99 121.20 120.31 3a6n s ILE 29 Ca -0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 3a6n s ILE 29 Cb 0.11 -4.79 0.02 0.00 0.01 0.00 0.00 42.46 37.81 3a6n s ILE 29 CO 0.58 -1.60 1.07 0.42 0.00 0.00 0.00 174.94 175.41 3a6n s THR 30 N 4.26 3.79 0.05 2.92 -4.23 -1.26 -4.88 115.64 116.29 3a6n s THR 30 Ca 0.29 0.58 -0.21 0.00 -1.18 0.00 0.00 61.69 61.17 3a6n s THR 30 Cb -0.11 -3.42 -0.10 0.00 1.34 0.00 0.00 72.50 70.21 3a6n s THR 30 CO 0.05 -0.76 1.34 0.50 -0.54 0.00 0.00 174.62 175.21 3a6n h LYS 31 N -0.74 -0.56 -0.94 3.99 3.64 -1.94 0.27 116.57 120.29 3a6n h LYS 31 Ca -0.45 0.04 0.28 0.00 -1.27 0.00 0.00 60.65 59.25 3a6n h LYS 31 Cb 1.23 0.13 -0.15 0.00 -0.41 0.00 0.00 32.23 33.03 3a6n h LYS 31 CO 0.60 -0.37 0.38 -1.00 -2.27 0.00 0.00 179.45 176.79 3a6n h PRO 32 N -0.58 0.24 -0.26 1.90 0.13 -1.98 0.40 132.00 131.84 3a6n h PRO 32 Ca -0.03 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3a6n h PRO 32 Cb 0.52 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3a6n h PRO 32 CO -0.06 0.16 0.11 0.00 -0.23 0.00 0.00 178.00 177.98 3a6n h ALA 33 N 1.83 0.34 -0.62 -0.56 0.00 -1.78 0.12 119.26 118.59 3a6n h ALA 33 Ca 0.64 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 3a6n h ALA 33 Cb 1.40 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3a6n h ALA 33 CO -0.65 -0.08 0.27 0.82 0.00 0.00 0.00 179.25 179.61 3a6n h ILE 34 N 0.28 1.21 0.12 0.00 2.04 0.15 -1.67 117.51 119.65 3a6n h ILE 34 Ca 0.09 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3a6n h ILE 34 Cb 0.16 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3a6n h ILE 34 CO -0.01 0.26 -0.13 0.03 0.00 0.00 0.00 178.15 178.31 3a6n h ARG 35 N 0.88 -0.27 -0.64 2.37 2.47 0.23 -1.20 114.38 118.23 3a6n h ARG 35 Ca 0.21 0.02 0.11 0.00 -1.26 0.00 0.00 59.98 59.06 3a6n h ARG 35 Cb 0.14 0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 28.44 3a6n h ARG 35 CO -0.02 -0.18 0.20 0.00 0.56 0.00 0.00 179.97 180.53 3a6n h ARG 36 N -0.28 0.35 0.30 0.04 3.08 -0.12 0.14 114.38 117.89 3a6n h ARG 36 Ca 0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3a6n h ARG 36 Cb 0.27 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3a6n h ARG 36 CO -0.04 0.23 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.84 3a6n h LEU 37 N 0.36 -0.45 -0.72 3.04 3.38 -1.00 -1.69 115.31 118.23 3a6n h LEU 37 Ca 0.33 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.46 3a6n h LEU 37 Cb 0.47 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 3a6n h LEU 37 CO -0.37 -0.29 0.27 0.00 0.09 0.00 0.00 178.44 178.14 3a6n h ALA 38 N 0.23 0.99 -0.84 1.53 0.00 -0.37 -0.72 119.26 120.08 3a6n h ALA 38 Ca -0.03 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3a6n h ALA 38 Cb 0.38 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3a6n h ALA 38 CO 0.03 -0.22 0.54 0.00 0.00 0.00 0.00 179.25 179.61 3a6n h ARG 39 N 0.42 1.03 0.00 0.00 2.47 -0.31 0.52 114.38 118.50 3a6n h ARG 39 Ca 0.39 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 3a6n h ARG 39 Cb 0.58 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 3a6n h ARG 39 CO -0.40 0.68 0.00 -0.09 0.56 0.00 0.00 179.97 180.72 3a6n h ARG 40 N 1.06 0.00 -0.18 0.04 2.43 -0.26 -0.66 114.38 116.82 3a6n h ARG 40 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3a6n h ARG 40 Cb -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3a6n h ARG 40 CO -0.11 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.76 3a6n n GLY 41 N -0.30 0.29 2.15 2.80 0.00 0.17 -4.92 105.19 105.38 3a6n n GLY 41 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3a6n n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6n n GLY 42 N 1.11 0.69 3.68 -0.02 0.00 -0.25 -5.02 105.19 105.38 3a6n n GLY 42 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3a6n n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a6n s VAL 43 N -2.65 4.25 -0.04 1.61 1.01 -0.83 -4.94 120.40 118.81 3a6n s VAL 43 Ca 0.00 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.61 3a6n s VAL 43 Cb 0.00 -4.00 -0.24 0.00 0.00 0.00 0.00 36.38 32.14 3a6n s VAL 43 CO 0.00 -0.04 0.68 0.50 0.00 0.00 0.00 175.10 176.24 3a6n h LYS 44 N 7.67 0.08 -4.02 2.72 3.64 -1.95 -3.39 116.57 121.32 3a6n h LYS 44 Ca -0.32 -0.13 -0.34 0.00 -1.27 0.00 0.00 60.65 58.59 3a6n h LYS 44 Cb 1.15 0.05 -0.31 0.00 -0.41 0.00 0.00 32.23 32.70 3a6n h LYS 44 CO 0.91 0.73 -0.75 0.50 -2.27 0.00 0.00 179.45 178.56 3a6n s ARG 45 N -2.60 0.44 -0.15 1.90 3.52 -1.26 -5.14 118.95 115.66 3a6n s ARG 45 Ca -0.08 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 3a6n s ARG 45 Cb 0.08 -0.49 -0.00 0.00 -1.56 0.00 0.00 34.95 32.97 3a6n s ARG 45 CO 0.82 -0.01 -0.15 0.42 -0.81 0.00 0.00 175.30 175.56 3a6n s ILE 46 N 0.47 2.71 0.46 4.11 1.09 -1.26 -5.11 121.20 123.66 3a6n s ILE 46 Ca -0.05 -0.76 -0.22 0.00 -1.10 0.00 0.00 60.65 58.52 3a6n s ILE 46 Cb -0.08 -2.14 -0.08 0.00 -1.06 0.00 0.00 42.46 39.10 3a6n s ILE 46 CO -0.01 0.52 1.09 -0.55 -0.10 0.00 0.00 174.94 175.89 3a6n s SER 47 N 0.73 6.37 0.62 3.58 0.15 -1.26 -4.91 113.70 118.99 3a6n s SER 47 Ca -0.07 2.09 0.35 0.00 0.70 0.00 0.00 55.95 59.03 3a6n s SER 47 Cb -0.15 -2.58 2.01 0.00 -1.71 0.00 0.00 66.02 63.58 3a6n s SER 47 CO 0.01 -0.77 2.25 1.23 1.20 0.00 0.00 173.24 177.17 3a6n h GLY 48 N 1.97 0.00 2.00 9.45 0.00 -2.05 -1.40 103.07 113.03 3a6n h GLY 48 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3a6n h GLY 48 CO 0.60 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.18 3a6n n LEU 49 N -3.50 0.38 0.23 3.11 4.77 -1.26 -3.77 117.00 116.95 3a6n n LEU 49 Ca -0.02 0.54 0.08 0.00 -0.03 0.00 0.00 56.01 56.58 3a6n n LEU 49 Cb 0.14 -0.43 0.53 0.00 -2.33 0.00 0.00 43.42 41.33 3a6n n LEU 49 CO 0.24 -0.12 0.85 0.40 -1.33 0.00 0.00 177.39 177.43 3a6n h ILE 50 N 0.00 0.87 -0.19 -0.08 5.03 -1.63 -2.93 117.51 118.58 3a6n h ILE 50 Ca 0.00 -0.90 -0.05 0.00 -0.12 0.00 0.00 64.86 63.78 3a6n h ILE 50 Cb 0.58 1.53 -0.01 0.00 -3.03 0.00 0.00 36.82 35.90 3a6n h ILE 50 CO 0.00 0.23 -0.09 1.88 -0.68 0.00 0.00 178.15 179.49 3a6n h TYR 51 N 0.00 0.46 -0.26 1.37 0.05 -1.77 0.31 116.97 117.12 3a6n h TYR 51 Ca -0.00 -0.11 -0.14 0.00 0.05 0.00 0.00 58.73 58.52 3a6n h TYR 51 Cb 0.51 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3a6n h TYR 51 CO 0.00 0.69 -0.42 0.93 -1.05 0.00 0.00 178.16 178.31 3a6n h GLU 52 N 0.10 0.65 -0.43 4.88 4.39 -1.81 -2.31 114.58 120.04 3a6n h GLU 52 Ca 0.04 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 3a6n h GLU 52 Cb 0.57 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 3a6n h GLU 52 CO 0.03 0.95 0.22 1.49 -1.16 0.00 0.00 179.01 180.53 3a6n h GLU 53 N 0.53 0.62 -0.30 2.33 4.57 -1.38 -2.57 114.58 118.37 3a6n h GLU 53 Ca 0.04 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3a6n h GLU 53 Cb 0.95 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 3a6n h GLU 53 CO 0.09 0.52 0.14 1.15 -1.18 0.00 0.00 179.01 179.73 3a6n h THR 54 N 0.56 1.16 -0.98 0.32 2.02 -0.26 -2.46 112.91 113.27 3a6n h THR 54 Ca 0.15 -0.46 0.07 0.00 0.77 0.00 0.00 66.41 66.94 3a6n h THR 54 Cb 0.10 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 3a6n h THR 54 CO -0.02 0.16 0.62 0.03 0.37 0.00 0.00 175.52 176.69 3a6n h ARG 55 N 0.35 1.08 -0.77 6.66 3.08 -1.29 0.18 114.38 123.67 3a6n h ARG 55 Ca 0.10 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3a6n h ARG 55 Cb 0.13 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3a6n h ARG 55 CO -0.01 0.71 0.41 0.78 -1.07 0.00 0.00 179.97 180.79 3a6n h GLY 56 N 1.11 1.17 0.71 0.04 0.00 -1.15 0.35 103.07 105.29 3a6n h GLY 56 Ca 0.43 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 3a6n h GLY 56 CO -0.19 0.52 -0.03 -2.08 0.00 0.00 0.00 176.54 174.76 3a6n h VAL 57 N 1.08 1.30 -0.69 4.60 2.07 -0.89 -1.15 116.25 122.56 3a6n h VAL 57 Ca 0.27 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.87 3a6n h VAL 57 Cb 0.06 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3a6n h VAL 57 CO -0.04 0.28 0.45 0.25 0.02 0.00 0.00 177.57 178.53 3a6n h LEU 58 N -0.14 0.63 -0.24 2.57 7.12 -0.29 -0.65 115.31 124.30 3a6n h LEU 58 Ca 0.02 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.91 3a6n h LEU 58 Cb 0.45 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.45 3a6n h LEU 58 CO 0.01 0.41 -0.33 0.50 -0.13 0.00 0.00 178.44 178.90 3a6n h LYS 59 N 0.71 0.65 -0.78 1.25 3.64 -0.07 -1.56 116.57 120.42 3a6n h LYS 59 Ca 0.30 -0.38 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3a6n h LYS 59 Cb 0.25 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 3a6n h LYS 59 CO -0.09 0.99 0.35 0.28 -2.27 0.00 0.00 179.45 178.71 3a6n h VAL 60 N 0.36 1.25 0.31 2.00 2.07 -0.45 -1.07 116.25 120.72 3a6n h VAL 60 Ca 0.03 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3a6n h VAL 60 Cb 0.91 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3a6n h VAL 60 CO 0.08 0.30 -0.15 0.15 0.02 0.00 0.00 177.57 177.97 3a6n h PHE 61 N 1.11 -0.39 -0.72 1.57 3.57 -1.06 -2.22 116.94 118.80 3a6n h PHE 61 Ca 0.26 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.78 3a6n h PHE 61 Cb 0.15 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3a6n h PHE 61 CO 0.02 -0.18 0.46 -0.07 -2.23 0.00 0.00 178.31 176.31 3a6n h LEU 62 N -0.51 0.78 -0.15 0.59 3.38 -1.15 -1.52 115.31 116.73 3a6n h LEU 62 Ca -0.04 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3a6n h LEU 62 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3a6n h LEU 62 CO 0.07 0.55 -0.04 -0.33 0.09 0.00 0.00 178.44 178.78 3a6n h GLU 63 N 0.92 -0.01 -0.50 1.13 5.08 -1.10 0.29 114.58 120.40 3a6n h GLU 63 Ca 0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 3a6n h GLU 63 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3a6n h GLU 63 CO -0.09 -0.01 0.22 -0.91 -1.00 0.00 0.00 179.01 177.23 3a6n h ASN 64 N -0.01 0.67 0.06 1.42 2.35 -1.12 0.36 115.58 119.31 3a6n h ASN 64 Ca 0.07 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3a6n h ASN 64 Cb 0.12 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3a6n h ASN 64 CO -0.16 0.63 -0.03 0.58 -1.65 0.00 0.00 177.43 176.80 3a6n h VAL 65 N 0.66 1.20 -0.66 2.81 2.07 -0.99 -2.77 116.25 118.57 3a6n h VAL 65 Ca 0.17 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.80 3a6n h VAL 65 Cb 0.15 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 3a6n h VAL 65 CO -0.02 0.23 0.41 0.40 0.02 0.00 0.00 177.57 178.61 3a6n h ILE 66 N -0.50 1.08 -0.55 4.57 2.04 -0.42 0.37 117.51 124.10 3a6n h ILE 66 Ca -0.01 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.66 3a6n h ILE 66 Cb 0.44 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 3a6n h ILE 66 CO 0.01 0.14 0.20 -0.09 0.00 0.00 0.00 178.15 178.42 3a6n h ARG 67 N 0.79 0.37 -0.37 2.37 2.43 -0.95 0.22 114.38 119.24 3a6n h ARG 67 Ca 0.27 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 3a6n h ARG 67 Cb 0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3a6n h ARG 67 CO -0.11 0.25 -0.19 -0.44 -1.51 0.00 0.00 179.97 177.97 3a6n h ASP 68 N 0.38 0.82 -0.06 -3.80 3.32 -1.05 -2.15 116.42 113.88 3a6n h ASP 68 Ca 0.27 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3a6n h ASP 68 Cb 0.31 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3a6n h ASP 68 CO -0.27 1.04 0.03 0.00 -1.72 0.00 0.00 179.24 178.33 3a6n h ALA 69 N 0.80 0.08 0.00 3.45 0.00 -0.37 -2.02 119.26 121.19 3a6n h ALA 69 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3a6n h ALA 69 Cb 0.74 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3a6n h ALA 69 CO 0.06 -0.39 -0.05 0.28 0.00 0.00 0.00 179.25 179.14 3a6n h VAL 70 N 0.01 0.33 -0.02 0.00 2.07 -0.57 0.11 116.25 118.19 3a6n h VAL 70 Ca 0.02 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 3a6n h VAL 70 Cb 0.07 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3a6n h VAL 70 CO -0.00 0.05 -0.73 0.74 0.02 0.00 0.00 177.57 177.65 3a6n h THR 71 N 0.00 1.48 0.00 2.57 2.02 -0.69 0.75 112.91 119.04 3a6n h THR 71 Ca -0.00 -2.37 -0.20 0.00 0.77 0.00 0.00 66.41 64.61 3a6n h THR 71 Cb 0.21 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 3a6n h THR 71 CO 0.01 0.69 -0.87 1.88 0.37 0.00 0.00 175.52 177.60 3a6n h TYR 72 N 0.07 0.30 0.38 3.16 0.05 -0.60 -2.04 116.97 118.29 3a6n h TYR 72 Ca -0.02 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.58 3a6n h TYR 72 Cb 1.29 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.00 3a6n h TYR 72 CO 0.01 0.97 -0.18 1.15 -1.05 0.00 0.00 178.16 179.06 3a6n h THR 73 N 0.11 0.61 -0.17 -2.88 2.02 -0.73 -2.17 112.91 109.70 3a6n h THR 73 Ca -0.04 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.77 3a6n h THR 73 Cb 1.49 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 3a6n h THR 73 CO 0.13 0.07 0.12 -0.08 0.37 0.00 0.00 175.52 176.13 3a6n h GLU 74 N -0.73 0.18 -0.24 6.66 4.81 -0.89 -1.76 114.58 122.60 3a6n h GLU 74 Ca -0.05 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 58.97 3a6n h GLU 74 Cb 0.51 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3a6n h GLU 74 CO 0.09 0.12 -0.62 1.25 -0.73 0.00 0.00 179.01 179.11 3a6n h HIS 75 N 0.19 1.09 0.00 0.92 2.76 -1.24 -2.23 115.15 116.64 3a6n h HIS 75 Ca 0.07 -0.42 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 3a6n h HIS 75 Cb 0.05 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.82 3a6n h HIS 75 CO -0.00 1.26 0.00 0.00 -1.30 0.00 0.00 177.93 177.89 3a6n n ALA 76 N -2.58 2.29 -3.17 5.26 0.00 -0.75 -4.84 120.51 116.71 3a6n n ALA 76 Ca -0.06 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 3a6n n ALA 76 Cb 0.67 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 19.08 3a6n n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a6n n LYS 77 N -0.57 -4.00 -3.52 0.00 5.02 -0.84 -4.97 118.16 109.28 3a6n n LYS 77 Ca 0.03 0.67 -0.21 0.00 -2.02 0.00 0.00 58.31 56.77 3a6n n LYS 77 Cb 0.01 -5.44 -0.01 0.00 -0.02 0.00 0.00 35.03 29.57 3a6n n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a6n s ARG 78 N -5.83 2.47 0.00 1.97 0.52 -0.74 -5.02 118.95 112.33 3a6n s ARG 78 Ca 0.34 -1.62 0.01 0.00 -0.52 0.00 0.00 55.73 53.94 3a6n s ARG 78 Cb -0.17 -2.38 -0.00 0.00 0.52 0.00 0.00 34.95 32.92 3a6n s ARG 78 CO 0.42 -0.36 0.22 1.63 0.02 0.00 0.00 175.30 177.23 3a6n n LYS 79 N -1.69 3.98 -3.95 3.54 4.76 -1.26 -4.47 118.16 119.07 3a6n n LYS 79 Ca 0.04 -0.20 -0.35 0.00 -2.87 0.00 0.00 58.31 54.93 3a6n n LYS 79 Cb 0.62 -0.72 -0.14 0.00 -1.84 0.00 0.00 35.03 32.95 3a6n n LYS 79 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3a6n s THR 80 N -0.73 2.94 0.02 -0.18 2.01 -1.26 -5.08 115.64 113.36 3a6n s THR 80 Ca 0.01 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 3a6n s THR 80 Cb 0.01 -2.45 -0.06 0.00 0.01 0.00 0.00 72.50 70.00 3a6n s THR 80 CO 0.03 0.25 1.44 -0.69 -0.69 0.00 0.00 174.62 174.96 3a6n s VAL 81 N 1.35 3.57 0.23 3.82 1.01 -1.26 -4.96 120.40 124.17 3a6n s VAL 81 Ca 0.02 0.99 0.06 0.00 0.00 0.00 0.00 61.98 63.04 3a6n s VAL 81 Cb -0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3a6n s VAL 81 CO -0.05 0.01 0.27 0.42 0.00 0.00 0.00 175.10 175.75 3a6n s THR 82 N 2.29 4.85 0.36 3.92 -4.23 -1.26 -4.99 115.64 116.58 3a6n s THR 82 Ca 0.65 -1.16 0.05 0.00 -1.18 0.00 0.00 61.69 60.06 3a6n s THR 82 Cb -0.33 -3.61 0.29 0.00 1.34 0.00 0.00 72.50 70.19 3a6n s THR 82 CO 0.28 -0.30 1.96 0.00 -0.54 0.00 0.00 174.62 176.01 3a6n h ALA 83 N 1.47 1.67 -0.62 3.99 0.00 -1.94 -0.58 119.26 123.25 3a6n h ALA 83 Ca -0.50 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.39 3a6n h ALA 83 Cb 1.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3a6n h ALA 83 CO 0.62 0.22 0.41 0.52 0.00 0.00 0.00 179.25 181.02 3a6n h MET 84 N 0.79 0.82 -0.63 0.00 2.86 -1.94 0.22 114.93 117.05 3a6n h MET 84 Ca 0.31 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.97 3a6n h MET 84 Cb 0.21 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 3a6n h MET 84 CO -0.10 0.55 0.42 -0.44 1.06 0.00 0.00 176.91 178.39 3a6n h ASP 85 N 0.85 0.52 -0.07 1.22 3.32 -1.47 0.20 116.42 120.99 3a6n h ASP 85 Ca 0.23 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.05 3a6n h ASP 85 Cb -0.10 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 39.36 3a6n h ASP 85 CO -0.05 0.33 -0.87 0.58 -1.72 0.00 0.00 179.24 177.52 3a6n h VAL 86 N 0.59 1.30 -0.67 -1.35 2.07 -0.60 -2.02 116.25 115.57 3a6n h VAL 86 Ca 0.27 -2.09 -0.04 0.00 0.82 0.00 0.00 66.70 65.66 3a6n h VAL 86 Cb 0.32 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 3a6n h VAL 86 CO -0.08 0.65 0.27 0.58 0.02 0.00 0.00 177.57 179.01 3a6n h VAL 87 N 0.39 1.23 -0.07 2.57 2.07 0.48 0.18 116.25 123.09 3a6n h VAL 87 Ca -0.09 -0.71 -0.20 0.00 0.82 0.00 0.00 66.70 66.51 3a6n h VAL 87 Cb 1.52 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3a6n h VAL 87 CO 0.17 0.29 -0.80 1.88 0.02 0.00 0.00 177.57 179.13 3a6n h TYR 88 N 0.96 0.66 0.11 1.57 0.05 -0.66 0.36 116.97 120.02 3a6n h TYR 88 Ca 0.23 -0.31 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 3a6n h TYR 88 Cb 0.18 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3a6n h TYR 88 CO 0.01 1.10 -0.06 0.00 -1.05 0.00 0.00 178.16 178.17 3a6n h ALA 89 N 0.81 -0.15 -0.78 3.88 0.00 -0.92 -1.50 119.26 120.60 3a6n h ALA 89 Ca -0.05 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3a6n h ALA 89 Cb 1.40 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 3a6n h ALA 89 CO 0.14 -0.50 0.45 -0.07 0.00 0.00 0.00 179.25 179.27 3a6n h LEU 90 N -0.32 0.68 -1.04 0.00 3.38 -0.63 -1.06 115.31 116.31 3a6n h LEU 90 Ca -0.02 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3a6n h LEU 90 Cb 0.26 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3a6n h LEU 90 CO 0.03 0.42 0.65 0.50 0.09 0.00 0.00 178.44 180.12 3a6n h LYS 91 N 0.81 1.27 -0.10 1.13 3.64 -0.59 0.12 116.57 122.85 3a6n h LYS 91 Ca 0.35 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 3a6n h LYS 91 Cb 0.23 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3a6n h LYS 91 CO -0.20 0.84 -0.48 0.00 -2.27 0.00 0.00 179.45 177.34 3a6n h ARG 92 N 1.31 0.25 -0.02 1.90 3.08 -0.23 -2.17 114.38 118.49 3a6n h ARG 92 Ca 0.36 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3a6n h ARG 92 Cb -0.12 0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3a6n h ARG 92 CO -0.09 0.68 0.00 1.04 -1.07 0.00 0.00 179.97 180.53 3a6n n GLN 93 N -3.97 1.00 -2.02 0.04 1.13 -0.50 -4.85 117.38 108.21 3a6n n GLN 93 Ca -0.02 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.90 3a6n n GLN 93 Cb 0.53 -1.01 -0.02 0.00 0.11 0.00 0.00 30.24 29.84 3a6n n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a6n n GLY 94 N 0.49 0.29 2.55 1.08 0.00 -0.81 -4.93 105.19 103.85 3a6n n GLY 94 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 3a6n n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a6n n ARG 95 N -2.45 3.39 -1.53 1.61 5.12 0.35 -5.01 116.66 118.14 3a6n n ARG 95 Ca -0.16 -4.52 -0.55 0.00 -1.93 0.00 0.00 57.85 50.69 3a6n n ARG 95 Cb 0.58 -2.25 -0.07 0.00 -1.16 0.00 0.00 32.46 29.57 3a6n n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3a6n n THR 96 N -0.45 0.24 -5.01 0.55 -1.04 -1.25 -4.48 114.28 102.84 3a6n n THR 96 Ca 0.39 -0.06 -0.31 0.00 -2.04 0.00 0.00 64.05 62.03 3a6n n THR 96 Cb 0.61 -0.38 -0.17 0.00 -1.82 0.00 0.00 70.33 68.58 3a6n n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3a6n s LEU 97 N 0.44 2.00 -0.04 -4.42 2.96 -1.26 -5.01 118.68 113.35 3a6n s LEU 97 Ca 0.85 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 54.20 3a6n s LEU 97 Cb -1.09 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 3a6n s LEU 97 CO 0.53 0.12 0.16 -0.31 -1.32 0.00 0.00 176.35 175.53 3a6n s TYR 98 N 0.49 3.53 0.00 5.38 1.51 -1.26 -4.63 117.35 122.37 3a6n s TYR 98 Ca -0.16 0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.29 3a6n s TYR 98 Cb -0.17 -1.85 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 3a6n s TYR 98 CO 0.06 0.66 0.00 0.41 -1.11 0.00 0.00 175.55 175.57 3a6n n GLY 99 N 1.30 1.04 1.62 0.71 0.00 -1.26 -5.01 105.19 103.59 3a6n n GLY 99 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 3a6n n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3a6n n PHE 100 N -0.58 1.19 0.00 1.61 3.01 -1.26 -4.91 117.46 116.53 3a6n n PHE 100 Ca 0.00 -1.71 0.00 0.00 1.01 0.00 0.00 57.45 56.75 3a6n n PHE 100 Cb 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 3a6n n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3a6n n GLY 101 N -0.64 1.00 0.00 1.37 0.00 -1.26 -4.43 105.19 101.23 3a6n n GLY 101 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3a6n n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93