#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jyb n ASN 49 N 0.00 2.02 -4.30 1.08 6.94 -1.26 -4.68 115.26 115.06 3jyb n ASN 49 Ca 0.00 -1.68 -0.39 0.00 -0.02 0.00 0.00 54.58 52.49 3jyb n ASN 49 Cb 0.00 -0.02 -0.12 0.00 -2.36 0.00 0.00 39.78 37.28 3jyb n ASN 49 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3jyb s TRP 50 N -1.96 3.27 0.16 -2.53 0.52 -1.26 -1.60 118.94 115.54 3jyb s TRP 50 Ca 0.35 -1.33 0.07 0.00 0.02 0.00 0.00 56.10 55.21 3jyb s TRP 50 Cb 0.20 -2.43 -0.04 0.00 -1.15 0.00 0.00 33.47 30.06 3jyb s TRP 50 CO 0.32 -0.73 -0.15 1.03 0.02 0.00 0.00 176.95 177.44 3jyb s ARG 51 N 1.44 1.20 0.03 4.98 0.52 0.45 -0.93 118.95 126.64 3jyb s ARG 51 Ca 0.00 -1.41 0.03 0.00 -0.52 0.00 0.00 55.73 53.83 3jyb s ARG 51 Cb -0.20 -1.10 -0.02 0.00 0.52 0.00 0.00 34.95 34.15 3jyb s ARG 51 CO 0.04 0.21 -0.09 -1.17 0.02 0.00 0.00 175.30 174.31 3jyb s LEU 52 N -2.81 2.17 -0.06 2.53 2.96 -0.00 -0.48 118.68 122.99 3jyb s LEU 52 Ca 0.15 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3jyb s LEU 52 Cb -0.04 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.39 3jyb s LEU 52 CO 0.05 -0.08 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.76 3jyb s LEU 53 N -1.08 0.99 -0.31 -0.68 2.96 -0.13 -1.67 118.68 118.76 3jyb s LEU 53 Ca -0.04 -0.11 -0.21 0.00 -0.22 0.00 0.00 54.13 53.55 3jyb s LEU 53 Cb -0.07 -0.44 -0.01 0.00 0.50 0.00 0.00 46.19 46.18 3jyb s LEU 53 CO 0.00 -0.12 0.67 -0.13 -1.32 0.00 0.00 176.35 175.45 3jyb s ARG 54 N 1.40 3.89 -0.76 1.98 0.52 -1.26 -0.48 118.95 124.24 3jyb s ARG 54 Ca -0.04 0.33 -0.14 0.00 -0.52 0.00 0.00 55.73 55.37 3jyb s ARG 54 Cb -0.13 -3.74 0.20 0.00 0.52 0.00 0.00 34.95 31.80 3jyb s ARG 54 CO -0.03 -0.62 0.70 0.34 0.02 0.00 0.00 175.30 175.71 3jyb s ASP 55 N 1.66 6.58 0.47 0.23 2.15 0.10 -4.91 116.67 122.95 3jyb s ASP 55 Ca 0.27 -2.51 0.31 0.00 0.43 0.00 0.00 52.55 51.05 3jyb s ASP 55 Cb -0.15 -2.19 1.28 0.00 -0.30 0.00 0.00 42.92 41.56 3jyb s ASP 55 CO 0.12 -0.62 1.91 -0.33 -0.17 0.00 0.00 175.17 176.09 3jyb h GLU 56 N 7.98 0.00 0.00 4.34 4.39 -1.94 0.87 114.58 130.22 3jyb h GLU 56 Ca 0.02 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 3jyb h GLU 56 Cb 1.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 3jyb h GLU 56 CO 0.81 0.00 -0.57 0.66 -1.16 0.00 0.00 179.01 178.75 3jyb h SER 57 N 0.00 0.00 0.00 1.42 4.64 -1.91 -3.41 113.55 114.29 3jyb h SER 57 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jyb h SER 57 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3jyb h SER 57 CO 0.00 0.57 0.00 0.00 -0.87 0.00 0.00 176.83 176.53 3jyb n ALA 58 N -2.29 0.00 0.01 5.18 0.00 -0.95 -4.86 120.51 117.60 3jyb n ALA 58 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 3jyb n ALA 58 Cb 0.69 -1.08 -0.11 0.00 0.00 0.00 0.00 19.45 18.94 3jyb n ALA 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3jyb n GLN 59 N -0.19 0.64 -1.76 0.00 1.13 -1.26 -4.90 117.38 111.04 3jyb n GLN 59 Ca 0.00 -0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.61 3jyb n GLN 59 Cb 0.34 -1.64 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 3jyb n GLN 59 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3jyb s LEU 60 N -5.05 4.37 0.46 1.08 1.02 -1.26 -5.03 118.68 114.27 3jyb s LEU 60 Ca -0.06 2.85 0.08 0.00 0.02 0.00 0.00 54.13 57.02 3jyb s LEU 60 Cb 0.11 -3.61 0.01 0.00 0.02 0.00 0.00 46.19 42.73 3jyb s LEU 60 CO 0.86 -0.94 0.51 -0.13 0.02 0.00 0.00 176.35 176.66 3jyb s ARG 61 N 0.86 2.55 0.21 1.70 0.52 -1.26 -4.94 118.95 118.59 3jyb s ARG 61 Ca 0.72 -1.52 -0.09 0.00 -0.52 0.00 0.00 55.73 54.32 3jyb s ARG 61 Cb -0.49 -2.51 0.30 0.00 0.52 0.00 0.00 34.95 32.77 3jyb s ARG 61 CO 0.35 -0.38 1.74 0.97 0.02 0.00 0.00 175.30 177.99 3jyb h ILE 62 N 0.73 0.75 -0.97 1.52 6.09 -1.99 -0.15 117.51 123.49 3jyb h ILE 62 Ca -0.38 -0.14 0.04 0.00 -1.37 0.00 0.00 64.86 63.01 3jyb h ILE 62 Cb 1.28 0.31 -0.06 0.00 0.47 0.00 0.00 36.82 38.83 3jyb h ILE 62 CO 0.51 0.07 0.63 0.00 -3.07 0.00 0.00 178.15 176.29 3jyb h ALA 63 N 1.44 1.37 -0.52 0.18 0.00 -1.99 -1.34 119.26 118.40 3jyb h ALA 63 Ca 0.32 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3jyb h ALA 63 Cb 0.41 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3jyb h ALA 63 CO -0.32 0.53 -0.05 -0.44 0.00 0.00 0.00 179.25 178.97 3jyb h ASP 64 N 1.22 0.94 -0.61 0.00 3.32 -1.62 -3.16 116.42 116.51 3jyb h ASP 64 Ca 0.38 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3jyb h ASP 64 Cb 0.00 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3jyb h ASP 64 CO -0.12 1.05 0.11 0.58 -1.72 0.00 0.00 179.24 179.14 3jyb h VAL 65 N 0.81 1.26 0.00 -1.35 2.07 -0.60 -2.50 116.25 115.94 3jyb h VAL 65 Ca 0.14 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3jyb h VAL 65 Cb 0.59 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3jyb h VAL 65 CO 0.04 0.37 0.00 -0.07 0.02 0.00 0.00 177.57 177.92 3jyb h LEU 66 N 0.92 0.00 0.00 2.57 3.38 -1.25 0.30 115.31 121.23 3jyb h LEU 66 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3jyb h LEU 66 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3jyb h LEU 66 CO 0.01 0.00 -0.27 0.00 0.09 0.00 0.00 178.44 178.27 3jyb n GLN 67 N -3.03 0.05 -0.52 1.13 1.13 -0.95 -4.17 117.38 111.02 3jyb n GLN 67 Ca -0.02 0.03 0.07 0.00 -1.94 0.00 0.00 57.00 55.14 3jyb n GLN 67 Cb 0.15 -1.55 0.17 0.00 0.11 0.00 0.00 30.24 29.12 3jyb n GLN 67 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3jyb n ARG 68 N -1.63 1.34 -0.12 -1.09 1.74 0.08 -4.82 116.66 112.16 3jyb n ARG 68 Ca 0.06 -2.94 0.16 0.00 -0.77 0.00 0.00 57.85 54.36 3jyb n ARG 68 Cb 0.36 -1.43 0.55 0.00 -1.02 0.00 0.00 32.46 30.91 3jyb n ARG 68 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3jyb h LYS 69 N 0.69 0.31 0.00 5.56 1.57 -1.69 0.28 116.57 123.29 3jyb h LYS 69 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3jyb h LYS 69 Cb 1.08 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3jyb h LYS 69 CO 0.01 0.20 0.00 -0.85 -0.57 0.00 0.00 179.45 178.24 3jyb n GLU 70 N -4.45 0.20 0.09 3.15 0.00 -1.26 -2.72 120.64 115.65 3jyb n GLU 70 Ca 0.13 0.39 0.13 0.00 0.00 0.00 0.00 57.16 57.81 3jyb n GLU 70 Cb 0.54 -1.85 0.32 0.00 0.00 0.00 0.00 31.44 30.45 3jyb n GLU 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3jyb n GLN 71 N -2.22 0.28 -2.30 3.44 6.02 0.09 -4.84 117.38 117.84 3jyb n GLN 71 Ca 0.03 0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.78 3jyb n GLN 71 Cb 0.25 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 3jyb n GLN 71 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3jyb s PHE 72 N -3.13 3.34 0.09 1.08 0.40 -1.10 -4.81 117.98 113.85 3jyb s PHE 72 Ca 0.09 1.43 0.09 0.00 -0.60 0.00 0.00 56.93 57.94 3jyb s PHE 72 Cb 0.13 -3.49 -0.03 0.00 0.51 0.00 0.00 43.02 40.13 3jyb s PHE 72 CO 0.64 -1.37 -0.24 1.03 0.70 0.00 0.00 175.22 175.98 3jyb s ARG 73 N -0.76 1.42 0.40 0.44 1.81 -0.67 -4.86 118.95 116.73 3jyb s ARG 73 Ca 0.51 -1.18 -0.27 0.00 -1.72 0.00 0.00 55.73 53.08 3jyb s ARG 73 Cb -0.35 -1.73 -0.09 0.00 -0.45 0.00 0.00 34.95 32.33 3jyb s ARG 73 CO 0.41 0.42 1.36 -2.14 -0.68 0.00 0.00 175.30 174.67 3jyb s PRO 74 N -1.68 4.00 0.24 3.54 0.02 -1.26 -0.82 135.00 139.04 3jyb s PRO 74 Ca 0.11 2.29 -0.22 0.00 0.02 0.00 0.00 61.00 63.20 3jyb s PRO 74 Cb -0.10 -2.82 -0.09 0.00 0.02 0.00 0.00 34.50 31.51 3jyb s PRO 74 CO 0.04 -0.51 0.78 -0.51 -0.33 0.00 0.00 177.00 176.47 3jyb s LEU 75 N -2.33 4.36 0.16 -5.54 1.43 -0.11 -4.83 118.68 111.83 3jyb s LEU 75 Ca 0.56 1.53 0.24 0.00 -1.03 0.00 0.00 54.13 55.43 3jyb s LEU 75 Cb -0.41 -3.66 0.43 0.00 0.03 0.00 0.00 46.19 42.58 3jyb s LEU 75 CO 0.53 0.02 1.42 0.00 0.23 0.00 0.00 176.35 178.56 3jyb h ALA 76 N 3.44 0.69 -2.57 4.21 0.00 -1.93 -3.47 119.26 119.62 3jyb h ALA 76 Ca -0.48 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3jyb h ALA 76 Cb 1.19 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.83 3jyb h ALA 76 CO 0.65 0.00 -0.10 -1.59 0.00 0.00 0.00 179.25 178.21 3jyb s LYS 77 N -3.17 0.95 -1.24 0.00 -2.85 -1.26 -5.06 119.74 107.11 3jyb s LYS 77 Ca 0.07 -0.44 -0.07 0.00 -1.00 0.00 0.00 55.97 54.52 3jyb s LYS 77 Cb 0.13 0.42 -0.02 0.00 -2.06 0.00 0.00 37.83 36.30 3jyb s LYS 77 CO 0.69 -0.34 2.81 0.54 0.10 0.00 0.00 175.35 179.16 3jyb n ARG 78 N 0.35 3.73 -3.63 1.78 1.74 -1.26 -4.79 116.66 114.58 3jyb n ARG 78 Ca -0.18 -2.54 -0.04 0.00 -0.77 0.00 0.00 57.85 54.32 3jyb n ARG 78 Cb 0.61 -2.59 -0.01 0.00 -1.02 0.00 0.00 32.46 29.44 3jyb n ARG 78 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3jyb s SER 79 N 1.34 -0.20 0.13 0.55 1.04 -1.26 -1.83 113.70 113.47 3jyb s SER 79 Ca 0.63 -0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.71 3jyb s SER 79 Cb 0.21 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.72 3jyb s SER 79 CO -0.08 -0.60 0.45 0.72 0.98 0.00 0.00 173.24 174.71 3jyb s PHE 80 N -2.94 -0.29 -0.08 5.02 -0.12 -0.62 -4.97 117.98 113.98 3jyb s PHE 80 Ca 0.10 0.03 -0.05 0.00 -0.05 0.00 0.00 56.93 56.96 3jyb s PHE 80 Cb 0.00 0.33 0.03 0.00 -0.63 0.00 0.00 43.02 42.75 3jyb s PHE 80 CO -0.03 -0.73 0.19 -1.50 -0.05 0.00 0.00 175.22 173.10 3jyb s ILE 81 N -3.69 -0.03 0.03 -4.49 2.07 -1.26 -2.17 121.20 111.67 3jyb s ILE 81 Ca 0.02 0.11 0.04 0.00 -1.41 0.00 0.00 60.65 59.41 3jyb s ILE 81 Cb 0.01 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.28 3jyb s ILE 81 CO -0.11 0.04 -0.12 -0.36 -1.91 0.00 0.00 174.94 172.48 3jyb s PHE 82 N 0.83 1.07 0.71 3.50 0.08 0.17 -4.98 117.98 119.35 3jyb s PHE 82 Ca -0.06 -0.33 -0.16 0.00 0.12 0.00 0.00 56.93 56.49 3jyb s PHE 82 Cb -0.08 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.72 3jyb s PHE 82 CO -0.05 0.01 0.79 -2.30 -0.10 0.00 0.00 175.22 173.58 3jyb n PRO 83 N 2.02 0.46 -1.67 0.24 -0.02 -1.26 -0.99 135.00 133.77 3jyb n PRO 83 Ca -0.18 0.20 -0.47 0.00 -2.02 0.00 0.00 63.50 61.03 3jyb n PRO 83 Cb 0.55 -2.06 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 3jyb n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jyb n ALA 84 N -2.38 1.09 -3.81 3.55 0.00 -1.26 -4.45 120.51 113.25 3jyb n ALA 84 Ca 0.12 0.38 -0.07 0.00 0.00 0.00 0.00 53.44 53.87 3jyb n ALA 84 Cb 0.49 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 3jyb n ALA 84 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3jyb s SER 85 N 2.28 -0.28 0.00 0.00 1.04 -1.26 -4.95 113.70 110.53 3jyb s SER 85 Ca 0.85 -0.54 0.06 0.00 0.48 0.00 0.00 55.95 56.80 3jyb s SER 85 Cb -0.69 0.69 0.21 0.00 0.10 0.00 0.00 66.02 66.33 3jyb s SER 85 CO 0.44 -1.27 1.15 -0.81 0.98 0.00 0.00 173.24 173.73 3jyb n PRO 86 N -0.45 1.29 -1.50 4.02 -0.04 -1.26 -4.62 135.00 132.44 3jyb n PRO 86 Ca -0.05 -0.45 -0.34 0.00 -0.04 0.00 0.00 63.50 62.62 3jyb n PRO 86 Cb 0.60 -1.12 0.09 0.00 -0.04 0.00 0.00 33.50 33.02 3jyb n PRO 86 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3jyb s GLN 87 N -1.84 2.25 -0.21 0.54 -2.07 -1.26 -4.54 119.66 112.53 3jyb s GLN 87 Ca 0.11 1.75 -0.06 0.00 -1.82 0.00 0.00 55.36 55.33 3jyb s GLN 87 Cb 0.05 -1.85 -0.03 0.00 -1.09 0.00 0.00 33.01 30.10 3jyb s GLN 87 CO 0.08 -1.75 0.04 0.00 -1.32 0.00 0.00 175.29 172.34 3jyb s ALA 88 N -1.97 3.17 -0.21 2.60 0.00 0.26 -4.60 121.76 121.02 3jyb s ALA 88 Ca 0.74 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 51.58 3jyb s ALA 88 Cb -0.29 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 3jyb s ALA 88 CO 0.44 -0.15 0.40 0.08 0.00 0.00 0.00 175.76 176.53 3jyb s VAL 89 N 1.00 5.19 -0.15 0.00 1.01 -1.26 0.01 120.40 126.20 3jyb s VAL 89 Ca 0.03 0.71 -0.04 0.00 0.00 0.00 0.00 61.98 62.68 3jyb s VAL 89 Cb -0.14 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3jyb s VAL 89 CO 0.02 0.24 -0.02 0.26 0.00 0.00 0.00 175.10 175.61 3jyb s TRP 90 N 1.37 3.07 -0.15 5.22 0.52 0.37 -4.25 118.94 125.09 3jyb s TRP 90 Ca 0.19 -0.16 -0.06 0.00 0.02 0.00 0.00 56.10 56.08 3jyb s TRP 90 Cb -0.15 -1.94 -0.04 0.00 -1.15 0.00 0.00 33.47 30.19 3jyb s TRP 90 CO 0.08 0.08 0.07 -1.17 0.02 0.00 0.00 176.95 176.03 3jyb s LEU 91 N 0.15 3.93 -0.15 2.99 2.96 0.41 -0.95 118.68 128.02 3jyb s LEU 91 Ca -0.00 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3jyb s LEU 91 Cb -0.13 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.61 3jyb s LEU 91 CO 0.02 0.27 -0.18 -1.58 -1.32 0.00 0.00 176.35 173.57 3jyb s GLN 92 N -0.23 2.67 -0.18 1.98 0.74 0.37 -1.26 119.66 123.76 3jyb s GLN 92 Ca 0.08 -0.71 0.01 0.00 0.05 0.00 0.00 55.36 54.79 3jyb s GLN 92 Cb -0.12 -2.27 0.03 0.00 1.10 0.00 0.00 33.01 31.75 3jyb s GLN 92 CO 0.01 -0.13 -0.15 0.08 -0.55 0.00 0.00 175.29 174.56 3jyb s VAL 93 N 1.14 1.76 -0.24 1.34 1.01 -0.33 -0.41 120.40 124.67 3jyb s VAL 93 Ca -0.01 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 3jyb s VAL 93 Cb -0.14 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3jyb s VAL 93 CO -0.07 0.38 0.27 -1.10 0.00 0.00 0.00 175.10 174.58 3jyb s GLN 94 N 1.39 4.08 0.04 2.72 -0.21 -0.63 -0.66 119.66 126.39 3jyb s GLN 94 Ca 0.03 -0.09 0.05 0.00 0.02 0.00 0.00 55.36 55.37 3jyb s GLN 94 Cb -0.14 -3.57 -0.02 0.00 1.00 0.00 0.00 33.01 30.28 3jyb s GLN 94 CO -0.10 -0.04 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.36 3jyb s LEU 95 N 1.35 2.16 1.09 2.90 1.43 -1.26 -4.84 118.68 121.52 3jyb s LEU 95 Ca 0.12 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 3jyb s LEU 95 Cb -0.14 -0.71 0.25 0.00 0.03 0.00 0.00 46.19 45.61 3jyb s LEU 95 CO 0.07 0.07 1.21 -2.16 0.23 0.00 0.00 176.35 175.77 3jyb s PRO 96 N -1.11 -0.36 0.30 1.29 0.04 -1.26 -4.58 135.00 129.32 3jyb s PRO 96 Ca 0.03 -0.23 -0.29 0.00 0.04 0.00 0.00 61.00 60.55 3jyb s PRO 96 Cb -0.08 -1.71 -0.13 0.00 0.04 0.00 0.00 34.50 32.62 3jyb s PRO 96 CO 0.01 -3.11 1.37 0.00 0.04 0.00 0.00 177.00 175.31 3jyb n ALA 97 N -4.30 1.43 -2.85 8.56 0.00 -1.25 -4.56 120.51 117.54 3jyb n ALA 97 Ca 0.14 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.64 3jyb n ALA 97 Cb 0.59 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 3jyb n ALA 97 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3jyb s GLN 98 N -1.24 3.22 -0.01 0.00 -1.52 -1.26 -4.95 119.66 113.89 3jyb s GLN 98 Ca 0.61 -0.48 0.11 0.00 -1.95 0.00 0.00 55.36 53.65 3jyb s GLN 98 Cb -0.58 -2.93 -0.17 0.00 -0.22 0.00 0.00 33.01 29.10 3jyb s GLN 98 CO 0.57 0.62 0.28 1.63 -0.25 0.00 0.00 175.29 178.14 3jyb n LYS 99 N 0.69 0.75 -4.15 2.91 5.02 -1.26 -4.50 118.16 117.62 3jyb n LYS 99 Ca -0.09 -0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.01 3jyb n LYS 99 Cb 0.52 -1.24 -0.10 0.00 -0.02 0.00 0.00 35.03 34.19 3jyb n LYS 99 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3jyb s VAL 100 N -2.69 0.58 0.25 -0.18 -7.23 -1.26 -5.07 120.40 104.79 3jyb s VAL 100 Ca -0.03 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 57.97 3jyb s VAL 100 Cb 0.07 -1.59 -0.13 0.00 0.56 0.00 0.00 36.38 35.30 3jyb s VAL 100 CO 0.47 -0.88 1.45 -2.65 -0.31 0.00 0.00 175.10 173.18 3jyb n PRO 101 N 0.07 2.16 -3.81 4.82 -0.02 -1.26 -4.86 135.00 132.10 3jyb n PRO 101 Ca -0.13 0.77 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3jyb n PRO 101 Cb 0.61 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3jyb n PRO 101 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jyb s SER 102 N 0.35 -0.07 0.04 2.55 1.04 -1.26 -3.89 113.70 112.45 3jyb s SER 102 Ca 0.68 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 56.53 3jyb s SER 102 Cb -0.62 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 3jyb s SER 102 CO 0.49 -0.88 -0.08 0.26 0.98 0.00 0.00 173.24 174.00 3jyb s TRP 103 N -3.88 0.73 -0.24 5.02 0.51 -0.06 -1.07 118.94 119.95 3jyb s TRP 103 Ca 0.09 -0.46 -0.25 0.00 -2.12 0.00 0.00 56.10 53.36 3jyb s TRP 103 Cb 0.02 -0.43 -0.00 0.00 -0.81 0.00 0.00 33.47 32.25 3jyb s TRP 103 CO -0.06 -0.06 0.85 -1.17 -0.51 0.00 0.00 176.95 176.00 3jyb s LEU 104 N -1.46 4.08 -0.14 2.99 2.96 0.09 -0.93 118.68 126.27 3jyb s LEU 104 Ca -0.08 1.06 -0.11 0.00 -0.22 0.00 0.00 54.13 54.78 3jyb s LEU 104 Cb -0.09 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.33 3jyb s LEU 104 CO 0.01 -0.54 0.22 0.86 -1.32 0.00 0.00 176.35 175.58 3jyb s TRP 105 N 2.89 3.53 -0.07 5.38 -0.00 0.36 -1.26 118.94 129.76 3jyb s TRP 105 Ca 0.36 0.56 0.00 0.00 -0.00 0.00 0.00 56.10 57.03 3jyb s TRP 105 Cb -0.15 -2.17 0.02 0.00 -0.00 0.00 0.00 33.47 31.17 3jyb s TRP 105 CO 0.07 0.46 -0.06 0.42 -0.00 0.00 0.00 176.95 177.84 3jyb s ILE 106 N -0.22 0.74 -0.40 5.86 1.01 0.07 -1.67 121.20 126.59 3jyb s ILE 106 Ca 0.15 -0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 3jyb s ILE 106 Cb -0.13 -0.77 0.06 0.00 0.01 0.00 0.00 42.46 41.63 3jyb s ILE 106 CO 0.04 0.29 0.23 0.12 0.00 0.00 0.00 174.94 175.63 3jyb s PHE 107 N 1.33 3.30 -0.54 3.97 5.36 -0.01 0.45 117.98 131.84 3jyb s PHE 107 Ca -0.04 -1.36 0.06 0.00 -0.96 0.00 0.00 56.93 54.64 3jyb s PHE 107 Cb -0.14 -2.76 0.22 0.00 -0.34 0.00 0.00 43.02 40.01 3jyb s PHE 107 CO -0.03 -0.78 0.56 0.00 -1.46 0.00 0.00 175.22 173.51 3jyb n ALA 108 N 4.93 3.26 -1.84 11.12 0.00 -1.26 -1.04 120.51 135.68 3jyb n ALA 108 Ca -0.11 -4.04 -0.41 0.00 0.00 0.00 0.00 53.44 48.88 3jyb n ALA 108 Cb 0.44 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 3jyb n ALA 108 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jyb s PRO 109 N -1.46 4.21 -0.01 0.00 0.04 -1.26 -2.37 135.00 134.15 3jyb s PRO 109 Ca 0.34 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.79 3jyb s PRO 109 Cb 0.10 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.55 3jyb s PRO 109 CO -0.11 -0.52 0.00 0.54 0.04 0.00 0.00 177.00 176.95 3jyb n ARG 110 N 2.48 -0.83 -2.42 4.56 1.74 -1.26 -4.95 116.66 115.98 3jyb n ARG 110 Ca 0.08 0.22 -0.42 0.00 -0.77 0.00 0.00 57.85 56.96 3jyb n ARG 110 Cb 0.39 -3.85 -0.03 0.00 -1.02 0.00 0.00 32.46 27.95 3jyb n ARG 110 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jyb s VAL 111 N -1.59 4.07 -0.12 1.55 1.01 -1.00 -4.66 120.40 119.65 3jyb s VAL 111 Ca 0.00 1.47 -0.07 0.00 0.00 0.00 0.00 61.98 63.38 3jyb s VAL 111 Cb 0.00 -3.94 -0.26 0.00 0.00 0.00 0.00 36.38 32.18 3jyb s VAL 111 CO 0.00 0.08 0.35 0.00 0.00 0.00 0.00 175.10 175.54 3jyb n GLN 112 N 4.28 0.76 -4.14 2.72 6.02 -0.41 -1.82 117.38 124.79 3jyb n GLN 112 Ca 0.10 0.26 -0.28 0.00 -0.01 0.00 0.00 57.00 57.07 3jyb n GLN 112 Cb 0.46 -1.71 -0.17 0.00 1.02 0.00 0.00 30.24 29.85 3jyb n GLN 112 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3jyb s TYR 113 N -2.56 1.90 -0.15 1.08 2.02 -1.10 -0.94 117.35 117.60 3jyb s TYR 113 Ca -0.23 -0.98 0.00 0.00 -0.37 0.00 0.00 57.07 55.50 3jyb s TYR 113 Cb 0.07 -1.42 0.03 0.00 -0.40 0.00 0.00 41.96 40.23 3jyb s TYR 113 CO 0.76 -0.56 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.91 3jyb s LEU 114 N 1.37 1.62 -0.15 -1.29 0.20 -0.43 -1.70 118.68 118.29 3jyb s LEU 114 Ca 0.01 -0.51 0.00 0.00 0.69 0.00 0.00 54.13 54.32 3jyb s LEU 114 Cb -0.13 -1.07 -0.00 0.00 -0.43 0.00 0.00 46.19 44.55 3jyb s LEU 114 CO -0.07 -0.10 -0.15 -1.81 -0.29 0.00 0.00 176.35 173.94 3jyb s ASP 115 N 1.55 3.74 -0.10 3.68 1.01 0.03 -0.41 116.67 126.16 3jyb s ASP 115 Ca 0.04 -0.44 0.01 0.00 0.71 0.00 0.00 52.55 52.87 3jyb s ASP 115 Cb -0.13 -1.57 -0.02 0.00 1.01 0.00 0.00 42.92 42.20 3jyb s ASP 115 CO -0.09 0.10 -0.14 -0.47 0.21 0.00 0.00 175.17 174.78 3jyb s TYR 116 N 0.72 2.76 -0.04 4.23 5.04 0.43 -0.60 117.35 129.89 3jyb s TYR 116 Ca -0.07 -0.51 0.02 0.00 -2.44 0.00 0.00 57.07 54.07 3jyb s TYR 116 Cb -0.15 -1.77 0.01 0.00 0.35 0.00 0.00 41.96 40.40 3jyb s TYR 116 CO 0.01 -0.10 -0.08 0.71 -1.34 0.00 0.00 175.55 174.76 3jyb s TYR 117 N 0.01 0.91 -0.12 4.97 2.02 0.34 -0.32 117.35 125.17 3jyb s TYR 117 Ca -0.04 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 3jyb s TYR 117 Cb -0.14 -0.70 -0.01 0.00 -0.40 0.00 0.00 41.96 40.71 3jyb s TYR 117 CO 0.04 -0.15 -0.19 -1.17 -1.57 0.00 0.00 175.55 172.52 3jyb s LEU 118 N 0.49 2.40 -0.12 -1.29 2.96 -0.06 -0.55 118.68 122.51 3jyb s LEU 118 Ca -0.08 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3jyb s LEU 118 Cb -0.11 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 3jyb s LEU 118 CO 0.01 0.16 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.33 3jyb s VAL 119 N 0.36 2.62 -0.01 1.68 1.01 -0.01 0.07 120.40 126.11 3jyb s VAL 119 Ca -0.15 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.03 3jyb s VAL 119 Cb -0.17 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.15 3jyb s VAL 119 CO 0.07 0.54 -0.01 -1.10 0.00 0.00 0.00 175.10 174.59 3jyb s GLN 120 N 0.43 0.22 -1.48 2.72 -0.21 -0.49 -1.45 119.66 119.39 3jyb s GLN 120 Ca -0.13 -0.02 -0.06 0.00 0.02 0.00 0.00 55.36 55.16 3jyb s GLN 120 Cb -0.17 -0.28 0.05 0.00 1.00 0.00 0.00 33.01 33.61 3jyb s GLN 120 CO 0.06 -0.02 0.63 -0.25 -2.12 0.00 0.00 175.29 173.59 3jyb n ASP 121 N 3.42 -1.81 0.00 5.90 10.43 -1.26 -1.65 116.55 131.58 3jyb n ASP 121 Ca -0.18 -0.95 0.00 0.00 2.57 0.00 0.00 54.79 56.23 3jyb n ASP 121 Cb 0.56 -3.25 0.00 0.00 1.84 0.00 0.00 41.12 40.27 3jyb n ASP 121 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3jyb n GLY 122 N -1.75 0.42 3.46 0.44 0.00 -1.26 -4.99 105.19 101.51 3jyb n GLY 122 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 3jyb n GLY 122 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3jyb s GLN 123 N -0.63 1.88 -0.37 1.61 -2.07 -0.66 -5.09 119.66 114.33 3jyb s GLN 123 Ca 0.00 -1.11 -0.29 0.00 -1.82 0.00 0.00 55.36 52.15 3jyb s GLN 123 Cb 0.00 -2.12 -0.00 0.00 -1.09 0.00 0.00 33.01 29.80 3jyb s GLN 123 CO 0.00 0.50 1.52 -1.17 -1.32 0.00 0.00 175.29 174.83 3jyb s LEU 124 N -1.79 3.61 -0.05 2.60 2.96 -1.26 -1.40 118.68 123.35 3jyb s LEU 124 Ca 0.16 1.04 0.18 0.00 -0.22 0.00 0.00 54.13 55.30 3jyb s LEU 124 Cb -0.10 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.77 3jyb s LEU 124 CO 0.07 -1.47 0.36 0.52 -1.32 0.00 0.00 176.35 174.52 3jyb n VAL 125 N 7.06 0.17 -3.85 1.68 0.31 0.11 -4.96 118.33 118.85 3jyb n VAL 125 Ca 0.18 -0.47 -0.12 0.00 -0.01 0.00 0.00 64.34 63.92 3jyb n VAL 125 Cb 0.47 -0.02 -0.10 0.00 -0.91 0.00 0.00 33.84 33.28 3jyb n VAL 125 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3jyb s ARG 126 N -3.18 0.42 -0.30 5.55 0.52 -1.04 -4.95 118.95 115.97 3jyb s ARG 126 Ca -0.07 -0.20 0.05 0.00 -0.52 0.00 0.00 55.73 54.98 3jyb s ARG 126 Cb 0.11 0.18 0.18 0.00 0.52 0.00 0.00 34.95 35.94 3jyb s ARG 126 CO 0.77 -0.09 0.52 0.34 0.02 0.00 0.00 175.30 176.86 3jyb s ASP 127 N -0.96 -0.85 -0.07 0.23 -1.08 -1.25 -0.88 116.67 111.81 3jyb s ASP 127 Ca -0.10 -0.08 0.04 0.00 -0.52 0.00 0.00 52.55 51.89 3jyb s ASP 127 Cb -0.06 1.67 -0.00 0.00 -1.46 0.00 0.00 42.92 43.07 3jyb s ASP 127 CO 0.01 -0.32 -0.20 -1.10 0.52 0.00 0.00 175.17 174.08 3jyb s GLN 128 N 2.67 2.37 -0.22 4.34 -0.21 0.56 -4.99 119.66 124.19 3jyb s GLN 128 Ca 0.10 -0.73 -0.03 0.00 0.02 0.00 0.00 55.36 54.72 3jyb s GLN 128 Cb -0.11 -1.92 -0.01 0.00 1.00 0.00 0.00 33.01 31.98 3jyb s GLN 128 CO -0.27 0.22 -0.06 -1.01 -2.12 0.00 0.00 175.29 172.05 3jyb s HIS 129 N 0.20 2.94 0.00 0.91 3.76 -1.26 -0.43 115.29 121.41 3jyb s HIS 129 Ca -0.11 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 3jyb s HIS 129 Cb -0.15 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.46 3jyb s HIS 129 CO 0.05 -0.58 0.00 -2.37 -0.85 0.00 0.00 174.74 170.99 3jyb n THR 130 N 4.77 0.00 0.00 1.30 5.66 0.45 -5.02 114.28 121.44 3jyb n THR 130 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 3jyb n THR 130 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 3jyb n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3jyb n GLY 131 N 0.00 2.12 0.29 1.09 0.00 -1.26 -1.32 105.19 106.11 3jyb n GLY 131 Ca 0.00 -2.09 0.17 0.00 0.00 0.00 0.00 46.02 44.10 3jyb n GLY 131 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jyb h GLU 132 N 0.00 0.00 -0.30 1.61 5.08 -1.00 -1.67 114.58 118.30 3jyb h GLU 132 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3jyb h GLU 132 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3jyb h GLU 132 CO 0.00 0.05 0.00 0.43 -1.00 0.00 0.00 179.01 178.49 3jyb n SER 133 N -3.30 2.13 -3.83 1.42 7.64 -0.12 -4.22 113.62 113.34 3jyb n SER 133 Ca -0.01 -1.86 -0.30 0.00 1.01 0.00 0.00 58.87 57.71 3jyb n SER 133 Cb 0.22 -0.19 -0.09 0.00 -1.01 0.00 0.00 64.21 63.13 3jyb n SER 133 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3jyb n ARG 134 N 0.63 2.27 -0.94 1.43 3.00 -0.63 -5.05 116.66 117.37 3jyb n ARG 134 Ca 0.16 -4.54 -0.17 0.00 -0.01 0.00 0.00 57.85 53.28 3jyb n ARG 134 Cb 0.37 -2.31 0.13 0.00 0.00 0.00 0.00 32.46 30.65 3jyb n ARG 134 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3jyb n PRO 135 N 1.71 -1.28 -0.96 5.56 -0.02 -1.26 -4.33 135.00 134.42 3jyb n PRO 135 Ca 0.23 -1.15 0.00 0.00 -2.02 0.00 0.00 63.50 60.56 3jyb n PRO 135 Cb 0.37 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 3jyb n PRO 135 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3jyb n PHE 136 N -3.36 0.00 -3.67 6.00 3.72 -1.26 -5.00 117.46 113.90 3jyb n PHE 136 Ca 0.09 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.13 3jyb n PHE 136 Cb 0.34 -0.39 -0.10 0.00 -0.94 0.00 0.00 39.48 38.39 3jyb n PHE 136 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3jyb s GLN 137 N -0.35 4.00 -0.22 -1.08 -0.21 -1.26 -5.07 119.66 115.46 3jyb s GLN 137 Ca 0.00 -0.31 -0.24 0.00 0.02 0.00 0.00 55.36 54.83 3jyb s GLN 137 Cb 0.00 -3.54 -0.01 0.00 1.00 0.00 0.00 33.01 30.46 3jyb s GLN 137 CO 0.00 -0.02 0.81 -1.83 -2.12 0.00 0.00 175.29 172.13 3jyb s GLU 138 N 1.27 4.21 -0.07 2.91 1.03 -1.26 -5.05 118.70 121.73 3jyb s GLU 138 Ca 0.07 0.92 0.01 0.00 0.03 0.00 0.00 54.97 56.00 3jyb s GLU 138 Cb -0.14 -3.62 -0.03 0.00 -0.80 0.00 0.00 34.13 29.54 3jyb s GLU 138 CO 0.06 -0.45 -0.08 1.03 -1.33 0.00 0.00 175.26 174.49 3jyb s ARG 139 N 2.59 2.79 0.24 -4.83 0.52 -1.26 -5.05 118.95 113.95 3jyb s ARG 139 Ca 0.35 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 3jyb s ARG 139 Cb -0.16 -2.57 0.27 0.00 0.52 0.00 0.00 34.95 33.01 3jyb s ARG 139 CO 0.09 0.61 1.62 -1.00 0.02 0.00 0.00 175.30 176.63 3jyb h PRO 140 N 5.43 0.49 -6.35 3.54 0.13 -1.97 -3.45 132.00 129.82 3jyb h PRO 140 Ca -0.46 -0.24 -0.54 0.00 -0.87 0.00 0.00 66.00 63.88 3jyb h PRO 140 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 3jyb h PRO 140 CO 0.53 0.81 0.30 -0.51 -0.23 0.00 0.00 178.00 178.90 3jyb s LEU 141 N -8.46 4.38 0.47 1.56 1.43 -1.26 -4.94 118.68 111.86 3jyb s LEU 141 Ca -0.07 1.57 0.25 0.00 -1.03 0.00 0.00 54.13 54.85 3jyb s LEU 141 Cb 0.13 -3.46 1.29 0.00 0.03 0.00 0.00 46.19 44.18 3jyb s LEU 141 CO 0.81 -0.19 1.85 -0.65 0.23 0.00 0.00 176.35 178.40 3jyb h PRO 142 N 6.58 0.20 0.00 1.29 0.11 -1.88 0.13 132.00 138.44 3jyb h PRO 142 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3jyb h PRO 142 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3jyb h PRO 142 CO 0.74 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.54 3jyb n SER 143 N -4.40 0.08 -1.68 -2.05 3.41 -1.25 -4.89 113.62 102.84 3jyb n SER 143 Ca 0.21 0.51 -0.19 0.00 -0.26 0.00 0.00 58.87 59.14 3jyb n SER 143 Cb 0.88 -0.53 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 3jyb n SER 143 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jyb n ARG 144 N -1.58 -1.36 -0.67 4.33 5.12 0.46 -4.99 116.66 117.97 3jyb n ARG 144 Ca 0.06 1.07 -0.31 0.00 -1.93 0.00 0.00 57.85 56.73 3jyb n ARG 144 Cb 0.30 -5.44 0.17 0.00 -1.16 0.00 0.00 32.46 26.33 3jyb n ARG 144 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3jyb n SER 145 N -1.20 -0.19 -4.69 0.55 7.64 -1.26 -4.86 113.62 109.61 3jyb n SER 145 Ca -0.20 0.36 -0.35 0.00 1.01 0.00 0.00 58.87 59.69 3jyb n SER 145 Cb 0.63 -1.42 -0.09 0.00 -1.01 0.00 0.00 64.21 62.32 3jyb n SER 145 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3jyb s TYR 146 N -2.58 3.16 -0.05 1.43 1.51 0.17 -4.73 117.35 116.26 3jyb s TYR 146 Ca 0.66 0.18 0.04 0.00 -1.01 0.00 0.00 57.07 56.94 3jyb s TYR 146 Cb -0.23 -1.77 -0.00 0.00 -0.11 0.00 0.00 41.96 39.85 3jyb s TYR 146 CO 0.60 0.48 -0.16 -0.51 -1.11 0.00 0.00 175.55 174.85 3jyb s LEU 147 N -1.01 1.88 -0.15 -1.29 1.43 -1.26 -0.75 118.68 117.53 3jyb s LEU 147 Ca 0.15 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3jyb s LEU 147 Cb -0.11 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.21 3jyb s LEU 147 CO 0.04 0.13 -0.07 -0.36 0.23 0.00 0.00 176.35 176.32 3jyb s PHE 148 N 0.12 1.69 0.10 0.29 0.08 -0.39 -4.97 117.98 114.90 3jyb s PHE 148 Ca -0.05 -0.98 -0.31 0.00 0.12 0.00 0.00 56.93 55.71 3jyb s PHE 148 Cb -0.12 -1.32 -0.07 0.00 -0.57 0.00 0.00 43.02 40.94 3jyb s PHE 148 CO 0.02 -0.59 1.31 0.45 -0.10 0.00 0.00 175.22 176.32 3jyb s SER 149 N 1.64 6.93 -0.29 1.36 0.15 -1.26 -0.73 113.70 121.49 3jyb s SER 149 Ca 0.03 2.21 -0.10 0.00 0.70 0.00 0.00 55.95 58.79 3jyb s SER 149 Cb -0.14 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 3jyb s SER 149 CO -0.08 -0.57 0.15 -0.76 1.20 0.00 0.00 173.24 173.18 3jyb s LEU 150 N 1.02 3.95 0.42 3.45 1.43 -0.23 -4.93 118.68 123.79 3jyb s LEU 150 Ca 0.62 -0.25 -0.26 0.00 -1.03 0.00 0.00 54.13 53.21 3jyb s LEU 150 Cb -0.34 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 43.76 3jyb s LEU 150 CO 0.30 -0.11 1.31 -2.16 0.23 0.00 0.00 176.35 175.93 3jyb s PRO 151 N 1.68 3.88 -0.78 1.29 0.04 -1.26 -4.29 135.00 135.56 3jyb s PRO 151 Ca 0.06 2.17 -0.13 0.00 0.04 0.00 0.00 61.00 63.14 3jyb s PRO 151 Cb -0.16 -2.70 0.21 0.00 0.04 0.00 0.00 34.50 31.88 3jyb s PRO 151 CO 0.08 -0.57 0.71 0.08 0.04 0.00 0.00 177.00 177.34 3jyb s VAL 152 N -1.27 5.40 -0.01 -0.36 1.01 -1.26 -4.42 120.40 119.48 3jyb s VAL 152 Ca 0.58 -2.42 0.01 0.00 0.00 0.00 0.00 61.98 60.15 3jyb s VAL 152 Cb -0.38 -4.36 0.02 0.00 0.00 0.00 0.00 36.38 31.66 3jyb s VAL 152 CO 0.49 -1.00 0.93 -0.90 0.00 0.00 0.00 175.10 174.62 3jyb n ASP 153 N 4.05 0.17 0.00 3.32 5.68 -1.26 -5.01 116.55 123.49 3jyb n ASP 153 Ca 0.11 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 3jyb n ASP 153 Cb 0.45 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3jyb n ASP 153 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jyb n GLY 154 N -0.10 0.94 3.25 6.12 0.00 -1.26 -5.02 105.19 109.13 3jyb n GLY 154 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3jyb n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jyb s LYS 155 N -0.07 1.49 0.00 1.61 1.02 -1.26 -4.87 119.74 117.66 3jyb s LYS 155 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.07 3jyb s LYS 155 Cb 0.00 -1.58 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 3jyb s LYS 155 CO 0.00 0.41 0.00 -0.35 -0.92 0.00 0.00 175.35 174.49 3jyb n PRO 156 N 1.97 -0.01 -3.72 -1.68 -0.04 -1.26 -3.94 135.00 126.32 3jyb n PRO 156 Ca -0.17 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 3jyb n PRO 156 Cb 0.53 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.85 3jyb n PRO 156 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3jyb s THR 158 N -0.43 -0.13 -0.04 0.52 2.01 -0.53 -4.63 115.64 112.41 3jyb s THR 158 Ca 0.00 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 3jyb s THR 158 Cb 0.00 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 3jyb s THR 158 CO 0.00 0.09 0.10 -0.76 -0.69 0.00 0.00 174.62 173.36 3jyb s LEU 159 N 1.56 4.06 -0.03 4.42 1.43 0.17 -0.83 118.68 129.46 3jyb s LEU 159 Ca -0.06 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 3jyb s LEU 159 Cb -0.11 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.87 3jyb s LEU 159 CO -0.07 0.32 -0.16 -0.31 0.23 0.00 0.00 176.35 176.36 3jyb s TYR 160 N -1.14 1.54 -0.09 0.29 1.51 0.28 -1.19 117.35 118.55 3jyb s TYR 160 Ca 0.21 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 3jyb s TYR 160 Cb -0.12 -1.04 0.02 0.00 -0.11 0.00 0.00 41.96 40.71 3jyb s TYR 160 CO 0.11 -0.13 -0.08 0.08 -1.11 0.00 0.00 175.55 174.42 3jyb s VAL 161 N -0.01 0.99 0.50 0.71 1.01 -0.39 -0.50 120.40 122.71 3jyb s VAL 161 Ca -0.02 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 61.74 3jyb s VAL 161 Cb -0.10 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.34 3jyb s VAL 161 CO 0.01 0.35 0.64 -0.60 0.00 0.00 0.00 175.10 175.50 3jyb s ARG 162 N 1.36 2.52 0.00 2.72 3.52 0.23 -0.44 118.95 128.86 3jyb s ARG 162 Ca -0.02 -1.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.07 3jyb s ARG 162 Cb -0.14 -2.62 0.00 0.00 -1.56 0.00 0.00 34.95 30.63 3jyb s ARG 162 CO -0.04 -0.55 0.00 0.25 -0.81 0.00 0.00 175.30 174.15 3jyb n THR 164 N -1.99 0.00 -3.57 4.11 -2.24 -0.69 -0.79 114.28 109.11 3jyb n THR 164 Ca 0.10 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 3jyb n THR 164 Cb 0.61 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 3jyb n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3jyb s SER 165 N 0.00 -0.36 0.05 3.42 0.15 -1.26 -1.28 113.70 114.41 3jyb s SER 165 Ca 0.00 -0.11 0.26 0.00 0.70 0.00 0.00 55.95 56.80 3jyb s SER 165 Cb 0.00 0.50 0.69 0.00 -1.71 0.00 0.00 66.02 65.51 3jyb s SER 165 CO 0.00 -0.84 1.57 0.59 1.20 0.00 0.00 173.24 175.76 3jyb n ASN 166 N -0.08 0.44 -4.98 5.45 3.02 -1.26 -4.45 115.26 113.41 3jyb n ASN 166 Ca -0.17 0.12 -0.18 0.00 -0.03 0.00 0.00 54.58 54.32 3jyb n ASN 166 Cb 0.63 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.73 3jyb n ASN 166 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3jyb s HIS 167 N -3.05 2.79 0.11 3.10 3.76 -1.26 -4.74 115.29 116.00 3jyb s HIS 167 Ca 0.11 -0.42 -0.35 0.00 -0.15 0.00 0.00 55.06 54.24 3jyb s HIS 167 Cb 0.16 -2.32 -0.17 0.00 1.11 0.00 0.00 32.58 31.36 3jyb s HIS 167 CO 0.65 -0.33 1.14 -2.30 -0.85 0.00 0.00 174.74 173.05 3jyb n PRO 168 N -1.77 0.79 -3.30 8.40 -0.02 -1.26 -4.43 135.00 133.41 3jyb n PRO 168 Ca 0.07 0.28 -0.35 0.00 -2.02 0.00 0.00 63.50 61.48 3jyb n PRO 168 Cb 0.60 -1.79 -0.06 0.00 -0.02 0.00 0.00 33.50 32.23 3jyb n PRO 168 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3jyb s LEU 169 N 0.64 4.33 0.00 2.45 0.20 -0.16 -4.90 118.68 121.24 3jyb s LEU 169 Ca 0.80 1.15 0.00 0.00 0.69 0.00 0.00 54.13 56.77 3jyb s LEU 169 Cb -0.99 -3.35 0.00 0.00 -0.43 0.00 0.00 46.19 41.42 3jyb s LEU 169 CO 0.52 0.08 0.00 0.00 -0.29 0.00 0.00 176.35 176.66 3jyb n ALA 171 N 0.76 0.00 -2.50 5.97 0.00 -0.92 -0.65 120.51 123.16 3jyb n ALA 171 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 3jyb n ALA 171 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 3jyb n ALA 171 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3jyb s TRP 172 N -1.91 2.60 0.05 0.00 0.51 -0.21 -1.59 118.94 118.40 3jyb s TRP 172 Ca 0.00 -0.23 -0.22 0.00 -2.12 0.00 0.00 56.10 53.54 3jyb s TRP 172 Cb 0.00 -1.42 0.05 0.00 -0.81 0.00 0.00 33.47 31.29 3jyb s TRP 172 CO 0.00 0.35 0.51 -0.59 -0.51 0.00 0.00 176.95 176.70 3jyb s PHE 173 N -1.07 -0.40 -0.09 -1.98 -0.71 -0.76 -0.83 117.98 112.14 3jyb s PHE 173 Ca 0.17 0.41 -0.32 0.00 -1.04 0.00 0.00 56.93 56.15 3jyb s PHE 173 Cb -0.11 0.33 0.12 0.00 -1.21 0.00 0.00 43.02 42.16 3jyb s PHE 173 CO 0.09 -0.65 1.10 0.34 -1.34 0.00 0.00 175.22 174.76 3jyb s ASP 174 N -2.05 -0.20 0.04 1.98 -1.08 -0.67 -4.72 116.67 109.96 3jyb s ASP 174 Ca -0.05 -0.04 -0.27 0.00 -0.52 0.00 0.00 52.55 51.68 3jyb s ASP 174 Cb -0.01 0.24 -0.05 0.00 -1.46 0.00 0.00 42.92 41.65 3jyb s ASP 174 CO -0.03 -0.40 0.83 -1.58 0.52 0.00 0.00 175.17 174.51 3jyb s GLN 175 N -2.70 4.54 0.05 4.34 0.74 -1.26 -0.49 119.66 124.89 3jyb s GLN 175 Ca 0.09 1.18 0.06 0.00 0.05 0.00 0.00 55.36 56.73 3jyb s GLN 175 Cb -0.00 -3.39 -0.02 0.00 1.10 0.00 0.00 33.01 30.69 3jyb s GLN 175 CO -0.06 0.20 -0.16 0.96 -0.55 0.00 0.00 175.29 175.68 3jyb s ILE 176 N 0.21 1.29 0.03 -2.34 -4.36 -0.10 -4.96 121.20 110.97 3jyb s ILE 176 Ca 0.42 -1.13 0.00 0.00 -0.26 0.00 0.00 60.65 59.69 3jyb s ILE 176 Cb -0.21 -1.17 0.01 0.00 1.25 0.00 0.00 42.46 42.34 3jyb s ILE 176 CO 0.25 0.02 0.04 -0.90 0.24 0.00 0.00 174.94 174.59 3jyb n ASP 177 N 1.75 0.08 -0.31 4.36 5.68 -1.26 -0.88 116.55 125.97 3jyb n ASP 177 Ca -0.18 -1.06 0.03 0.00 -0.50 0.00 0.00 54.79 53.08 3jyb n ASP 177 Cb 0.54 -0.02 0.17 0.00 -1.14 0.00 0.00 41.12 40.67 3jyb n ASP 177 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3jyb h GLU 178 N 0.00 0.85 -0.97 0.11 4.22 -1.98 -0.80 114.58 116.01 3jyb h GLU 178 Ca -0.01 -0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.41 3jyb h GLU 178 Cb 0.05 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 3jyb h GLU 178 CO 0.02 0.56 0.64 0.00 -2.18 0.00 0.00 179.01 178.05 3jyb h ALA 179 N 1.46 1.37 -0.38 2.92 0.00 -1.94 -1.34 119.26 121.35 3jyb h ALA 179 Ca 0.41 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 3jyb h ALA 179 Cb 0.34 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3jyb h ALA 179 CO -0.23 0.54 -0.23 0.78 0.00 0.00 0.00 179.25 180.11 3jyb h GLY 180 N 1.23 0.90 0.63 0.00 0.00 -1.76 -3.32 103.07 100.75 3jyb h GLY 180 Ca 0.39 -0.84 0.06 0.00 0.00 0.00 0.00 47.33 46.94 3jyb h GLY 180 CO -0.12 0.76 0.29 -2.00 0.00 0.00 0.00 176.54 175.47 3jyb h LEU 181 N 0.63 0.39 -0.41 3.11 7.12 -0.26 -2.80 115.31 123.09 3jyb h LEU 181 Ca 0.08 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.13 3jyb h LEU 181 Cb 0.79 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.90 3jyb h LEU 181 CO 0.06 0.26 0.00 1.33 -0.13 0.00 0.00 178.44 179.96 3jyb n VAL 182 N -4.88 0.74 0.71 1.05 0.24 -0.59 -2.40 118.33 113.20 3jyb n VAL 182 Ca 0.07 0.08 0.12 0.00 -2.04 0.00 0.00 64.34 62.56 3jyb n VAL 182 Cb 0.18 -0.95 0.15 0.00 -1.47 0.00 0.00 33.84 31.75 3jyb n VAL 182 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jyb n GLY 183 N 0.44 1.30 3.79 7.63 0.00 -1.06 -5.01 105.19 112.28 3jyb n GLY 183 Ca 0.03 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 3jyb n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jyb s LEU 184 N -1.78 3.73 0.00 0.99 1.43 -1.01 -5.13 118.68 116.91 3jyb s LEU 184 Ca 0.32 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3jyb s LEU 184 Cb 0.21 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.87 3jyb s LEU 184 CO 0.31 -1.01 0.03 -0.62 0.23 0.00 0.00 176.35 175.29