#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bik h GLN 27 N 0.00 0.00 -7.01 0.00 -0.00 -1.98 -3.42 115.11 102.70 1bik h GLN 27 Ca 0.27 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.42 1bik h GLN 27 Cb 1.35 0.00 0.06 0.00 -0.00 0.00 0.00 27.48 28.89 1bik h GLN 27 CO -0.00 0.33 0.48 -0.51 -0.00 0.00 0.00 178.83 179.12 1bik s LEU 28 N -6.22 3.99 0.85 0.06 1.43 0.15 -5.01 118.68 113.94 1bik s LEU 28 Ca 0.03 2.28 -0.12 0.00 -1.03 0.00 0.00 54.13 55.29 1bik s LEU 28 Cb 0.07 -4.27 0.10 0.00 0.03 0.00 0.00 46.19 42.13 1bik s LEU 28 CO 0.74 -0.92 1.12 -0.83 0.23 0.00 0.00 176.35 176.69 1bik s GLY 29 N -1.41 1.60 0.58 -3.19 0.00 -1.26 -4.87 107.32 98.77 1bik s GLY 29 Ca 0.64 -0.38 -0.16 0.00 0.00 0.00 0.00 44.72 44.82 1bik s GLY 29 CO 0.33 0.11 1.05 -2.52 0.00 0.00 0.00 173.10 172.07 1bik s TYR 30 N -3.24 3.06 -0.11 1.90 -0.85 -1.26 -4.87 117.35 111.98 1bik s TYR 30 Ca 0.62 1.50 -0.01 0.00 -0.52 0.00 0.00 57.07 58.66 1bik s TYR 30 Cb -0.14 -2.97 0.03 0.00 0.38 0.00 0.00 41.96 39.26 1bik s TYR 30 CO 0.54 -1.01 -0.02 0.45 -1.52 0.00 0.00 175.55 173.99 1bik s SER 31 N -2.85 2.09 0.32 -0.18 0.15 -1.26 -5.01 113.70 106.96 1bik s SER 31 Ca 0.63 -0.33 0.15 0.00 0.70 0.00 0.00 55.95 57.10 1bik s SER 31 Cb -0.15 -0.61 0.50 0.00 -1.71 0.00 0.00 66.02 64.05 1bik s SER 31 CO 0.36 -0.20 1.66 0.00 1.20 0.00 0.00 173.24 176.27 1bik h ALA 32 N 8.26 0.95 0.00 5.45 0.00 -1.87 -3.41 119.26 128.63 1bik h ALA 32 Ca -0.22 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1bik h ALA 32 Cb 1.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1bik h ALA 32 CO 0.32 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1bik n GLY 33 N 0.33 -1.32 0.09 0.00 0.00 -1.24 -0.12 105.19 102.93 1bik n GLY 33 Ca -0.00 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.55 1bik n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bik n PRO 34 N -1.55 0.23 -1.51 1.61 -0.04 -1.26 -4.69 135.00 127.79 1bik n PRO 34 Ca 0.00 0.17 -0.29 0.00 -0.04 0.00 0.00 63.50 63.34 1bik n PRO 34 Cb 0.00 -1.75 0.14 0.00 -0.04 0.00 0.00 33.50 31.85 1bik n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bik n MET 36 N -3.83 2.19 -2.06 0.00 2.81 -1.22 -4.50 117.12 110.51 1bik n MET 36 Ca 0.07 -1.62 -0.42 0.00 -1.81 0.00 0.00 57.70 53.92 1bik n MET 36 Cb 0.59 -1.16 -0.00 0.00 -0.71 0.00 0.00 33.22 31.94 1bik n MET 36 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bik n GLY 37 N 0.21 4.71 3.65 3.03 0.00 0.91 -4.98 105.19 112.73 1bik n GLY 37 Ca 0.07 -1.92 -0.49 0.00 0.00 0.00 0.00 46.02 43.68 1bik n GLY 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bik n MET 38 N 4.09 1.82 -3.94 1.61 0.00 -1.25 -3.70 117.12 115.75 1bik n MET 38 Ca 0.49 0.66 -0.10 0.00 0.00 0.00 0.00 57.70 58.75 1bik n MET 38 Cb 0.34 -2.40 -0.10 0.00 0.00 0.00 0.00 33.22 31.07 1bik n MET 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1bik s THR 39 N 1.35 0.12 -0.06 2.03 2.01 0.33 -4.91 115.64 116.51 1bik s THR 39 Ca 0.83 -0.98 -0.25 0.00 0.31 0.00 0.00 61.69 61.61 1bik s THR 39 Cb -0.78 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1bik s THR 39 CO 0.44 -0.54 0.76 -0.44 -0.69 0.00 0.00 174.62 174.15 1bik s SER 40 N -1.78 7.06 0.22 3.53 0.01 -1.26 0.33 113.70 121.81 1bik s SER 40 Ca -0.10 1.28 0.01 0.00 1.31 0.00 0.00 55.95 58.45 1bik s SER 40 Cb -0.05 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 1bik s SER 40 CO -0.02 -0.15 0.07 -0.13 0.41 0.00 0.00 173.24 173.42 1bik s ARG 41 N 0.88 1.28 -0.05 12.44 1.81 0.90 -4.91 118.95 131.30 1bik s ARG 41 Ca 0.40 -1.67 -0.01 0.00 -1.72 0.00 0.00 55.73 52.73 1bik s ARG 41 Cb -0.18 -0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.10 1bik s ARG 41 CO 0.20 -0.26 0.02 0.71 -0.68 0.00 0.00 175.30 175.29 1bik s TYR 42 N -3.79 3.17 0.00 -0.53 2.02 0.13 -0.33 117.35 118.02 1bik s TYR 42 Ca 0.34 0.17 0.01 0.00 -0.37 0.00 0.00 57.07 57.22 1bik s TYR 42 Cb 0.07 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 1bik s TYR 42 CO 0.10 0.49 -0.04 -0.59 -1.57 0.00 0.00 175.55 173.93 1bik s PHE 43 N -0.98 0.39 -0.16 2.71 -0.71 0.98 0.14 117.98 120.35 1bik s PHE 43 Ca 0.16 -0.14 -0.29 0.00 -1.04 0.00 0.00 56.93 55.62 1bik s PHE 43 Cb -0.11 -0.25 -0.01 0.00 -1.21 0.00 0.00 43.02 41.44 1bik s PHE 43 CO 0.06 -0.02 1.08 -0.47 -1.34 0.00 0.00 175.22 174.53 1bik s TYR 44 N -0.31 3.31 -0.50 3.49 5.04 -1.26 -0.38 117.35 126.74 1bik s TYR 44 Ca -0.01 1.42 -0.15 0.00 -2.44 0.00 0.00 57.07 55.89 1bik s TYR 44 Cb -0.03 -3.29 0.11 0.00 0.35 0.00 0.00 41.96 39.09 1bik s TYR 44 CO -0.00 -0.67 0.43 1.21 -1.34 0.00 0.00 175.55 175.19 1bik s ASN 45 N 1.31 6.08 0.09 4.32 3.84 0.57 -4.87 114.94 126.27 1bik s ASN 45 Ca 0.48 -1.64 0.13 0.00 0.21 0.00 0.00 52.86 52.05 1bik s ASN 45 Cb -0.18 -2.16 0.59 0.00 -0.55 0.00 0.00 41.25 38.94 1bik s ASN 45 CO 0.13 -0.75 1.41 0.61 -2.79 0.00 0.00 177.10 175.71 1bik n GLY 46 N 5.17 -0.90 0.12 1.21 0.00 -1.26 0.86 105.19 110.39 1bik n GLY 46 Ca -0.13 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 1bik n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bik h THR 47 N 0.00 1.10 0.00 2.61 2.02 -1.94 -3.34 112.91 113.36 1bik h THR 47 Ca 0.00 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.76 1bik h THR 47 Cb 0.18 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1bik h THR 47 CO 0.00 0.71 -0.54 -1.54 0.37 0.00 0.00 175.52 174.51 1bik n SER 48 N -3.95 0.56 -3.79 4.18 3.41 -0.99 -4.93 113.62 108.11 1bik n SER 48 Ca -0.23 -0.05 -0.26 0.00 -0.26 0.00 0.00 58.87 58.07 1bik n SER 48 Cb 0.89 0.19 0.04 0.00 -0.26 0.00 0.00 64.21 65.07 1bik n SER 48 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1bik n MET 49 N -1.78 -5.62 -3.86 4.33 2.81 0.25 -4.79 117.12 108.46 1bik n MET 49 Ca 0.04 0.64 -0.12 0.00 -1.81 0.00 0.00 57.70 56.46 1bik n MET 49 Cb 0.38 -5.44 -0.12 0.00 -0.71 0.00 0.00 33.22 27.34 1bik n MET 49 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1bik s ALA 50 N -3.44 -0.24 -0.04 3.04 0.00 -0.93 -1.49 121.76 118.67 1bik s ALA 50 Ca 0.40 0.08 -0.28 0.00 0.00 0.00 0.00 51.96 52.16 1bik s ALA 50 Cb -0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1bik s ALA 50 CO 0.81 -0.11 0.90 0.00 0.00 0.00 0.00 175.76 177.37 1bik s GLU 52 N 1.15 2.03 0.21 0.00 2.02 0.49 -4.84 118.70 119.76 1bik s GLU 52 Ca 0.47 -2.21 0.05 0.00 0.02 0.00 0.00 54.97 53.30 1bik s GLU 52 Cb -0.20 -1.51 -0.03 0.00 0.10 0.00 0.00 34.13 32.49 1bik s GLU 52 CO 0.23 -0.20 0.24 0.95 0.02 0.00 0.00 175.26 176.51 1bik s THR 53 N -2.83 4.81 0.01 3.63 -4.23 -1.25 -0.01 115.64 115.76 1bik s THR 53 Ca 0.23 -1.11 -0.27 0.00 -1.18 0.00 0.00 61.69 59.37 1bik s THR 53 Cb 0.06 -3.55 0.06 0.00 1.34 0.00 0.00 72.50 70.42 1bik s THR 53 CO 0.12 -0.25 0.61 0.72 -0.54 0.00 0.00 174.62 175.28 1bik s PHE 54 N -1.94 -0.56 -0.34 3.99 -0.71 0.55 -4.90 117.98 114.06 1bik s PHE 54 Ca 0.33 0.79 -0.25 0.00 -1.04 0.00 0.00 56.93 56.76 1bik s PHE 54 Cb -0.09 0.40 0.01 0.00 -1.21 0.00 0.00 43.02 42.13 1bik s PHE 54 CO 0.26 -0.65 0.89 -0.65 -1.34 0.00 0.00 175.22 173.73 1bik s GLN 55 N -1.95 3.89 -0.16 1.99 -1.52 -1.26 -0.07 119.66 120.59 1bik s GLN 55 Ca -0.08 0.60 -0.10 0.00 -1.95 0.00 0.00 55.36 53.84 1bik s GLN 55 Cb -0.01 -3.78 -0.05 0.00 -0.22 0.00 0.00 33.01 28.96 1bik s GLN 55 CO 0.03 -0.85 0.17 -0.47 -0.25 0.00 0.00 175.29 173.91 1bik s TYR 56 N 3.30 3.50 -0.68 0.91 5.04 0.15 -4.56 117.35 125.01 1bik s TYR 56 Ca 0.36 0.47 0.22 0.00 -2.44 0.00 0.00 57.07 55.68 1bik s TYR 56 Cb -0.13 -2.12 0.88 0.00 0.35 0.00 0.00 41.96 40.95 1bik s TYR 56 CO 0.16 0.46 1.67 0.41 -1.34 0.00 0.00 175.55 176.90 1bik n GLY 57 N 2.89 -1.27 0.00 8.97 0.00 0.83 -0.51 105.19 116.10 1bik n GLY 57 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1bik n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bik n GLY 58 N 0.25 0.45 3.39 -0.02 0.00 -1.24 -0.06 105.19 107.97 1bik n GLY 58 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1bik n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bik n MET 60 N 0.16 -1.38 0.00 0.00 2.81 -1.26 -4.03 117.12 113.41 1bik n MET 60 Ca -0.18 1.30 0.00 0.00 -1.81 0.00 0.00 57.70 57.01 1bik n MET 60 Cb 0.62 -4.84 0.00 0.00 -0.71 0.00 0.00 33.22 28.29 1bik n MET 60 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bik n GLY 61 N -1.74 5.76 2.81 3.03 0.00 -1.26 -3.63 105.19 110.16 1bik n GLY 61 Ca -0.09 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.86 1bik n GLY 61 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bik n ASN 62 N 0.00 2.02 0.23 1.61 0.23 -1.26 -5.03 115.26 113.06 1bik n ASN 62 Ca 0.00 -2.77 0.16 0.00 -0.53 0.00 0.00 54.58 51.43 1bik n ASN 62 Cb 0.00 0.60 0.63 0.00 -2.08 0.00 0.00 39.78 38.93 1bik n ASN 62 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1bik h GLY 63 N 1.17 0.00 -6.08 4.83 0.00 -1.96 -3.35 103.07 97.68 1bik h GLY 63 Ca -0.29 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.33 1bik h GLY 63 CO 0.48 0.00 3.06 -2.01 0.00 0.00 0.00 176.54 178.07 1bik n ASN 64 N -2.83 3.96 -3.28 0.19 5.15 -1.26 -4.73 115.26 112.46 1bik n ASN 64 Ca 0.01 -2.85 -0.04 0.00 -0.60 0.00 0.00 54.58 51.09 1bik n ASN 64 Cb 0.28 -1.66 -0.05 0.00 -0.53 0.00 0.00 39.78 37.82 1bik n ASN 64 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1bik s ASN 65 N 3.14 -0.33 0.10 1.20 3.84 -1.25 -4.54 114.94 117.10 1bik s ASN 65 Ca 0.47 0.40 0.06 0.00 0.21 0.00 0.00 52.86 54.00 1bik s ASN 65 Cb 0.13 1.48 -0.03 0.00 -0.55 0.00 0.00 41.25 42.29 1bik s ASN 65 CO -0.08 -0.29 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.42 1bik s PHE 66 N 2.66 1.42 0.07 0.43 0.40 0.12 -4.93 117.98 118.15 1bik s PHE 66 Ca 0.15 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 1bik s PHE 66 Cb -0.15 -0.77 -0.24 0.00 0.51 0.00 0.00 43.02 42.37 1bik s PHE 66 CO -0.19 0.13 1.10 0.28 0.70 0.00 0.00 175.22 177.24 1bik h VAL 67 N 3.92 1.47 -3.59 -0.44 2.07 -1.94 0.38 116.25 118.12 1bik h VAL 67 Ca -0.42 -3.15 -0.44 0.00 0.82 0.00 0.00 66.70 63.51 1bik h VAL 67 Cb 1.19 2.81 -0.19 0.00 -1.52 0.00 0.00 31.29 33.58 1bik h VAL 67 CO 0.44 0.87 -0.77 0.42 0.02 0.00 0.00 177.57 178.56 1bik s THR 68 N -2.67 1.41 0.29 2.57 -4.23 -1.26 -4.78 115.64 106.98 1bik s THR 68 Ca -0.03 -1.70 0.21 0.00 -1.18 0.00 0.00 61.69 59.00 1bik s THR 68 Cb 0.09 -1.54 0.20 0.00 1.34 0.00 0.00 72.50 72.58 1bik s THR 68 CO 0.84 -0.36 1.89 -0.08 -0.54 0.00 0.00 174.62 176.37 1bik h GLU 69 N 3.58 0.00 0.46 3.99 4.81 -1.97 -2.59 114.58 122.86 1bik h GLU 69 Ca -0.41 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1bik h GLU 69 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1bik h GLU 69 CO 0.49 0.26 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.59 1bik h LYS 70 N 0.00 -0.60 -0.09 1.92 3.64 -1.99 0.43 116.57 119.88 1bik h LYS 70 Ca -0.00 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1bik h LYS 70 Cb 0.62 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 1bik h LYS 70 CO 0.03 -0.38 -0.20 0.93 -2.27 0.00 0.00 179.45 177.57 1bik h GLU 71 N -0.66 -0.26 -0.26 1.90 5.08 -1.96 0.16 114.58 118.57 1bik h GLU 71 Ca -0.06 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1bik h GLU 71 Cb 0.50 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 1bik h GLU 71 CO 0.10 -0.17 -0.09 0.00 -1.00 0.00 0.00 179.01 177.85 1bik h LEU 73 N -0.04 0.49 -1.85 0.00 3.38 -0.36 0.18 115.31 117.10 1bik h LEU 73 Ca 0.13 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1bik h LEU 73 Cb 0.24 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1bik h LEU 73 CO -0.30 0.75 -0.12 1.56 0.09 0.00 0.00 178.44 180.42 1bik h GLN 74 N 0.22 0.00 0.09 1.13 4.20 -0.57 -0.44 115.11 119.74 1bik h GLN 74 Ca 0.06 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.55 1bik h GLN 74 Cb 0.54 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1bik h GLN 74 CO 0.03 0.12 -1.12 1.15 -0.67 0.00 0.00 178.83 178.34 1bik h THR 75 N 0.00 1.19 0.00 -0.54 2.02 -0.73 -3.42 112.91 111.43 1bik h THR 75 Ca -0.00 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.80 1bik h THR 75 Cb 0.37 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1bik h THR 75 CO 0.02 0.64 -0.97 0.00 0.37 0.00 0.00 175.52 175.57 1bik s ARG 77 N -2.80 3.02 0.43 0.00 3.52 -0.18 -5.04 118.95 117.90 1bik s ARG 77 Ca 0.06 1.95 0.03 0.00 -0.13 0.00 0.00 55.73 57.64 1bik s ARG 77 Cb 0.14 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.45 1bik s ARG 77 CO 0.76 -1.20 0.05 0.95 -0.81 0.00 0.00 175.30 175.05 1bik s THR 78 N -1.49 1.12 -1.53 4.11 -4.23 -1.26 -5.03 115.64 107.33 1bik s THR 78 Ca 0.76 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.50 1bik s THR 78 Cb -0.34 -2.47 0.46 0.00 1.34 0.00 0.00 72.50 71.49 1bik s THR 78 CO 0.37 0.00 1.77 1.33 -0.54 0.00 0.00 174.62 177.56 1bik n VAL 79 N -1.00 0.22 0.39 2.29 0.24 -1.26 -2.68 118.33 116.52 1bik n VAL 79 Ca -0.10 0.05 0.14 0.00 -2.04 0.00 0.00 64.34 62.39 1bik n VAL 79 Cb 0.66 -0.67 0.49 0.00 -1.47 0.00 0.00 33.84 32.85 1bik n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bik h ALA 80 N 3.17 1.00 0.00 2.33 0.00 -1.96 -2.82 119.26 120.98 1bik h ALA 80 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bik h ALA 80 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1bik h ALA 80 CO 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.17 1bik h ALA 81 N 2.21 1.08 0.00 0.00 0.00 -1.87 -2.63 119.26 118.05 1bik h ALA 81 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1bik h ALA 81 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1bik h ALA 81 CO 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 179.25 179.31 1bik n ASN 83 N -3.21 0.66 -4.81 0.00 4.13 -0.99 -4.66 115.26 106.38 1bik n ASN 83 Ca -0.01 -0.45 -0.33 0.00 1.68 0.00 0.00 54.58 55.47 1bik n ASN 83 Cb 0.22 0.26 -0.03 0.00 -1.54 0.00 0.00 39.78 38.69 1bik n ASN 83 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1bik s LEU 84 N -2.88 3.75 0.67 3.41 1.43 -0.61 -5.03 118.68 119.42 1bik s LEU 84 Ca 0.14 1.84 -0.15 0.00 -1.03 0.00 0.00 54.13 54.92 1bik s LEU 84 Cb 0.18 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.86 1bik s LEU 84 CO 0.67 -0.80 1.14 -2.16 0.23 0.00 0.00 176.35 175.42 1bik s PRO 85 N -3.51 2.65 -0.39 1.29 0.04 -1.26 -4.88 135.00 128.94 1bik s PRO 85 Ca 0.65 1.51 -0.25 0.00 0.04 0.00 0.00 61.00 62.95 1bik s PRO 85 Cb -0.15 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1bik s PRO 85 CO 0.24 -1.39 0.91 0.42 0.04 0.00 0.00 177.00 177.22 1bik s ILE 86 N -2.20 4.58 -0.21 0.56 1.01 -1.26 -4.78 121.20 118.91 1bik s ILE 86 Ca 0.69 1.06 -0.04 0.00 0.00 0.00 0.00 60.65 62.37 1bik s ILE 86 Cb -0.23 -4.34 -0.01 0.00 0.01 0.00 0.00 42.46 37.89 1bik s ILE 86 CO 0.41 -0.58 -0.05 -0.69 0.00 0.00 0.00 174.94 174.04 1bik s VAL 87 N 3.48 3.37 0.10 2.92 1.01 -1.26 -4.98 120.40 125.04 1bik s VAL 87 Ca 0.37 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1bik s VAL 87 Cb -0.12 -2.53 -0.24 0.00 0.00 0.00 0.00 36.38 33.50 1bik s VAL 87 CO 0.20 0.43 1.22 -0.09 0.00 0.00 0.00 175.10 176.87 1bik h ARG 88 N 7.96 0.18 0.00 2.72 2.43 -1.94 -3.44 114.38 122.29 1bik h ARG 88 Ca -0.40 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 1bik h ARG 88 Cb 1.16 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1bik h ARG 88 CO 0.60 1.11 0.00 0.41 -1.51 0.00 0.00 179.97 180.58 1bik n GLY 89 N 1.36 -1.66 0.01 2.80 0.00 -1.26 -1.08 105.19 105.36 1bik n GLY 89 Ca -0.05 -1.54 0.14 0.00 0.00 0.00 0.00 46.02 44.56 1bik n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bik n PRO 90 N -2.09 0.03 -2.28 1.61 -0.04 -1.26 -4.69 135.00 126.28 1bik n PRO 90 Ca 0.00 0.02 -0.26 0.00 -0.04 0.00 0.00 63.50 63.23 1bik n PRO 90 Cb 0.00 -1.53 0.06 0.00 -0.04 0.00 0.00 33.50 31.98 1bik n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bik n ARG 92 N -2.79 1.08 -2.47 0.00 1.74 -1.16 -4.34 116.66 108.73 1bik n ARG 92 Ca 0.07 -2.37 -0.42 0.00 -0.77 0.00 0.00 57.85 54.36 1bik n ARG 92 Cb 0.60 -1.33 0.01 0.00 -1.02 0.00 0.00 32.46 30.71 1bik n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bik n ALA 93 N -1.18 5.67 -1.70 7.54 0.00 0.16 -4.99 120.51 126.02 1bik n ALA 93 Ca 0.14 -4.43 -0.44 0.00 0.00 0.00 0.00 53.44 48.71 1bik n ALA 93 Cb 0.66 -2.70 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 1bik n ALA 93 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bik n PHE 94 N 2.41 2.52 -4.08 0.00 3.72 -1.25 -4.02 117.46 116.76 1bik n PHE 94 Ca 0.41 0.22 -0.15 0.00 -0.05 0.00 0.00 57.45 57.88 1bik n PHE 94 Cb 0.32 -2.58 -0.14 0.00 -0.94 0.00 0.00 39.48 36.14 1bik n PHE 94 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1bik s ILE 95 N 0.64 0.31 -0.38 4.37 -4.36 -0.05 -4.95 121.20 116.78 1bik s ILE 95 Ca 0.73 -0.16 -0.20 0.00 -0.26 0.00 0.00 60.65 60.76 1bik s ILE 95 Cb -0.58 -0.27 0.01 0.00 1.25 0.00 0.00 42.46 42.86 1bik s ILE 95 CO 0.40 0.09 0.62 -1.10 0.24 0.00 0.00 174.94 175.20 1bik s GLN 96 N -0.04 3.55 0.52 0.37 -0.21 -1.26 0.64 119.66 123.24 1bik s GLN 96 Ca 0.01 -0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.29 1bik s GLN 96 Cb -0.02 -3.85 -0.00 0.00 1.00 0.00 0.00 33.01 30.13 1bik s GLN 96 CO -0.00 -0.81 0.00 -0.51 -2.12 0.00 0.00 175.29 171.85 1bik s LEU 97 N 2.70 2.22 0.14 2.90 1.02 -0.21 -4.91 118.68 122.54 1bik s LEU 97 Ca 0.23 -1.69 0.04 0.00 0.02 0.00 0.00 54.13 52.73 1bik s LEU 97 Cb -0.14 -0.71 -0.04 0.00 0.02 0.00 0.00 46.19 45.32 1bik s LEU 97 CO 0.16 -0.91 0.12 0.26 0.02 0.00 0.00 176.35 176.00 1bik s TRP 98 N -2.90 3.16 0.06 0.29 0.52 -0.11 -1.02 118.94 118.93 1bik s TRP 98 Ca 0.02 0.01 -0.19 0.00 0.02 0.00 0.00 56.10 55.96 1bik s TRP 98 Cb 0.01 -1.55 0.04 0.00 -1.15 0.00 0.00 33.47 30.82 1bik s TRP 98 CO 0.01 0.52 0.44 0.00 0.02 0.00 0.00 176.95 177.94 1bik s ALA 99 N -1.63 -1.08 -0.14 0.98 0.00 -0.04 0.30 121.76 120.15 1bik s ALA 99 Ca 0.30 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 1bik s ALA 99 Cb -0.11 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1bik s ALA 99 CO 0.23 -0.50 0.54 0.12 0.00 0.00 0.00 175.76 176.15 1bik s PHE 100 N -2.70 3.48 -0.53 0.00 5.36 -1.26 -0.12 117.98 122.21 1bik s PHE 100 Ca -0.04 0.93 -0.18 0.00 -0.96 0.00 0.00 56.93 56.68 1bik s PHE 100 Cb -0.00 -2.65 0.08 0.00 -0.34 0.00 0.00 43.02 40.11 1bik s PHE 100 CO -0.04 0.06 0.58 0.34 -1.46 0.00 0.00 175.22 174.70 1bik s ASP 101 N 0.83 6.19 0.44 6.13 -1.08 0.13 -4.86 116.67 124.45 1bik s ASP 101 Ca 0.28 -1.28 0.14 0.00 -0.52 0.00 0.00 52.55 51.17 1bik s ASP 101 Cb -0.16 -2.26 0.99 0.00 -1.46 0.00 0.00 42.92 40.03 1bik s ASP 101 CO 0.11 -0.90 1.99 0.00 0.52 0.00 0.00 175.17 176.89 1bik h ALA 102 N 8.99 1.69 -0.09 3.66 0.00 -1.83 0.38 119.26 132.05 1bik h ALA 102 Ca -0.29 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1bik h ALA 102 Cb 1.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1bik h ALA 102 CO 1.00 0.24 -0.12 0.28 0.00 0.00 0.00 179.25 180.65 1bik h VAL 103 N 0.01 1.37 0.00 0.00 2.07 -1.95 -3.23 116.25 114.52 1bik h VAL 103 Ca 0.00 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1bik h VAL 103 Cb 0.33 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1bik h VAL 103 CO 0.02 0.37 -0.39 0.11 0.02 0.00 0.00 177.57 177.70 1bik h LYS 104 N -0.18 0.00 -2.52 1.57 1.57 -1.97 -3.47 116.57 111.57 1bik h LYS 104 Ca 0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1bik h LYS 104 Cb 0.65 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.01 1bik h LYS 104 CO 0.03 0.09 -0.21 0.41 -0.57 0.00 0.00 179.45 179.19 1bik n GLY 105 N 1.15 0.49 3.31 3.86 0.00 0.13 -5.03 105.19 109.09 1bik n GLY 105 Ca 0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 1bik n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bik s LYS 106 N -5.41 1.04 -0.22 1.61 -2.85 -0.85 -4.97 119.74 108.09 1bik s LYS 106 Ca 0.18 -0.85 -0.28 0.00 -1.00 0.00 0.00 55.97 54.02 1bik s LYS 106 Cb -0.08 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1bik s LYS 106 CO 0.23 -0.39 0.96 0.00 0.10 0.00 0.00 175.35 176.25 1bik s VAL 108 N 2.91 2.52 -0.11 0.00 -7.23 0.83 -4.92 120.40 114.40 1bik s VAL 108 Ca 0.42 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1bik s VAL 108 Cb -0.15 -2.94 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 1bik s VAL 108 CO 0.08 -0.09 0.03 -0.22 -0.31 0.00 0.00 175.10 174.59 1bik s LEU 109 N -3.84 3.73 0.17 1.32 2.96 -1.26 -0.86 118.68 120.89 1bik s LEU 109 Ca 0.39 0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 54.39 1bik s LEU 109 Cb 0.02 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1bik s LEU 109 CO 0.22 0.35 0.26 0.72 -1.32 0.00 0.00 176.35 176.58 1bik s PHE 110 N -0.71 0.47 -0.37 5.38 -0.71 -0.19 -4.96 117.98 116.89 1bik s PHE 110 Ca 0.11 -0.83 -0.13 0.00 -1.04 0.00 0.00 56.93 55.05 1bik s PHE 110 Cb -0.12 -0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.59 1bik s PHE 110 CO 0.02 -0.71 0.25 -1.25 -1.34 0.00 0.00 175.22 172.20 1bik s PRO 111 N -3.98 3.22 0.06 1.99 0.04 -1.26 -1.04 135.00 134.03 1bik s PRO 111 Ca 0.19 -0.83 -0.26 0.00 0.04 0.00 0.00 61.00 60.14 1bik s PRO 111 Cb 0.04 -3.84 -0.06 0.00 0.04 0.00 0.00 34.50 30.68 1bik s PRO 111 CO 0.01 -0.58 0.80 -0.47 0.04 0.00 0.00 177.00 176.80 1bik s TYR 112 N 1.68 3.76 0.09 0.56 5.04 0.21 -4.75 117.35 123.94 1bik s TYR 112 Ca 0.05 1.53 0.32 0.00 -2.44 0.00 0.00 57.07 56.53 1bik s TYR 112 Cb -0.18 -2.85 1.26 0.00 0.35 0.00 0.00 41.96 40.54 1bik s TYR 112 CO 0.10 0.27 1.95 0.78 -1.34 0.00 0.00 175.55 177.31 1bik h GLY 113 N 5.59 0.00 0.00 8.97 0.00 -1.30 -0.11 103.07 116.22 1bik h GLY 113 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1bik h GLY 113 CO 0.71 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.86 1bik n GLY 114 N 0.08 1.16 3.37 4.60 0.00 -1.26 -0.66 105.19 112.49 1bik n GLY 114 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1bik n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bik n GLN 116 N -0.14 -5.22 -0.51 0.00 6.02 -1.26 -4.12 117.38 112.15 1bik n GLN 116 Ca -0.17 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1bik n GLN 116 Cb 0.63 -5.47 0.00 0.00 1.02 0.00 0.00 30.24 26.43 1bik n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bik n GLY 117 N -1.62 1.48 0.12 1.08 0.00 -1.26 -4.67 105.19 100.32 1bik n GLY 117 Ca 0.03 -2.03 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 1bik n GLY 117 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bik n ASN 118 N -1.81 1.36 0.25 1.61 0.23 -1.26 -4.66 115.26 110.97 1bik n ASN 118 Ca 0.00 -1.08 0.16 0.00 -0.53 0.00 0.00 54.58 53.13 1bik n ASN 118 Cb 0.00 0.03 0.54 0.00 -2.08 0.00 0.00 39.78 38.26 1bik n ASN 118 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1bik h GLY 119 N 0.05 0.00 -6.42 4.83 0.00 -1.57 -3.37 103.07 96.59 1bik h GLY 119 Ca -0.01 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.61 1bik h GLY 119 CO 0.02 0.00 2.93 -2.01 0.00 0.00 0.00 176.54 177.48 1bik n ASN 120 N -3.02 4.11 -3.66 0.19 5.15 -1.26 -4.71 115.26 112.06 1bik n ASN 120 Ca 0.02 -2.86 -0.06 0.00 -0.60 0.00 0.00 54.58 51.08 1bik n ASN 120 Cb 0.36 -1.68 -0.08 0.00 -0.53 0.00 0.00 39.78 37.86 1bik n ASN 120 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1bik s LYS 121 N 3.44 0.41 0.14 1.20 2.20 -1.26 -4.63 119.74 121.24 1bik s LYS 121 Ca 0.49 1.17 0.11 0.00 -0.36 0.00 0.00 55.97 57.37 1bik s LYS 121 Cb 0.12 0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 36.90 1bik s LYS 121 CO -0.05 -0.23 -0.25 -0.06 -0.36 0.00 0.00 175.35 174.40 1bik s PHE 122 N 2.68 2.22 -2.03 4.03 0.08 0.15 -4.96 117.98 120.14 1bik s PHE 122 Ca -0.03 -0.38 0.19 0.00 0.12 0.00 0.00 56.93 56.83 1bik s PHE 122 Cb -0.12 -1.17 0.55 0.00 -0.57 0.00 0.00 43.02 41.70 1bik s PHE 122 CO -0.15 0.36 1.46 0.66 -0.10 0.00 0.00 175.22 177.45 1bik n TYR 123 N 0.75 0.80 -3.54 0.36 4.02 -1.26 -0.93 117.16 117.36 1bik n TYR 123 Ca -0.17 -0.40 -0.12 0.00 -0.01 0.00 0.00 57.90 57.21 1bik n TYR 123 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.82 1bik n TYR 123 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1bik s SER 124 N -1.04 -0.44 0.17 7.72 1.04 -1.26 -4.95 113.70 114.93 1bik s SER 124 Ca 0.41 0.35 -0.11 0.00 0.48 0.00 0.00 55.95 57.08 1bik s SER 124 Cb 0.22 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.80 1bik s SER 124 CO 0.28 -0.51 1.67 -0.08 0.98 0.00 0.00 173.24 175.59 1bik h GLU 125 N 2.48 0.97 -0.35 4.02 4.81 -1.99 -2.35 114.58 122.17 1bik h GLU 125 Ca -0.22 -0.25 0.06 0.00 -0.13 0.00 0.00 59.36 58.82 1bik h GLU 125 Cb 1.19 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.39 1bik h GLU 125 CO 0.33 0.90 0.00 0.87 -0.73 0.00 0.00 179.01 180.39 1bik h LYS 126 N 0.87 0.10 -0.79 1.92 1.57 -1.99 0.67 116.57 118.92 1bik h LYS 126 Ca 0.18 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1bik h LYS 126 Cb 0.39 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1bik h LYS 126 CO 0.01 0.06 0.51 1.49 -0.57 0.00 0.00 179.45 180.95 1bik h GLU 127 N 0.10 0.98 -0.81 3.15 4.81 -1.91 0.34 114.58 121.24 1bik h GLU 127 Ca 0.17 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1bik h GLU 127 Cb 0.23 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1bik h GLU 127 CO -0.28 0.65 0.34 0.00 -0.73 0.00 0.00 179.01 178.98 1bik h ARG 129 N 1.18 0.76 -0.48 0.00 3.08 0.37 -1.37 114.38 117.92 1bik h ARG 129 Ca 0.27 -0.31 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1bik h ARG 129 Cb 0.20 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1bik h ARG 129 CO -0.02 0.92 0.27 0.93 -1.07 0.00 0.00 179.97 181.00 1bik h GLU 130 N 0.56 0.51 -0.06 0.04 5.08 0.02 0.13 114.58 120.86 1bik h GLU 130 Ca 0.09 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1bik h GLU 130 Cb 0.67 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1bik h GLU 130 CO 0.05 0.34 -0.30 1.88 -1.00 0.00 0.00 179.01 179.98 1bik h TYR 131 N 0.53 0.42 -0.55 4.33 -1.99 -1.18 -3.37 116.97 115.16 1bik h TYR 131 Ca 0.20 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1bik h TYR 131 Cb 0.07 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1bik h TYR 131 CO -0.08 0.92 0.00 0.00 -0.00 0.00 0.00 178.16 178.99 1bik n GLY 133 N 0.92 -2.47 0.00 0.00 0.00 0.43 -5.01 105.19 99.06 1bik n GLY 133 Ca 0.22 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1bik n GLY 133 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87