#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyc n ALA 2 N 0.00 -0.38 -3.97 0.62 0.00 -1.26 -4.95 120.51 110.57 2jyc n ALA 2 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 2jyc n ALA 2 Cb 0.00 -1.85 -0.14 0.00 0.00 0.00 0.00 19.45 17.46 2jyc n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jyc s SER 3 N -2.54 4.48 -0.20 0.00 0.15 -1.26 -4.56 113.70 109.76 2jyc s SER 3 Ca 0.00 -2.73 -0.28 0.00 0.70 0.00 0.00 55.95 53.64 2jyc s SER 3 Cb 0.00 -1.64 0.12 0.00 -1.71 0.00 0.00 66.02 62.79 2jyc s SER 3 CO 0.00 -0.28 0.98 -0.55 1.20 0.00 0.00 173.24 174.59 2jyc s SER 4 N 0.12 -0.43 -0.42 5.45 0.15 -1.26 -5.02 113.70 112.29 2jyc s SER 4 Ca 0.15 0.61 -0.17 0.00 0.70 0.00 0.00 55.95 57.23 2jyc s SER 4 Cb -0.24 0.54 0.02 0.00 -1.71 0.00 0.00 66.02 64.64 2jyc s SER 4 CO -0.03 -0.29 0.45 -0.76 1.20 0.00 0.00 173.24 173.81 2jyc s LEU 5 N -0.62 4.84 -0.17 3.45 1.43 -1.26 -3.69 118.68 122.66 2jyc s LEU 5 Ca -0.01 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2jyc s LEU 5 Cb -0.02 -2.41 0.04 0.00 0.03 0.00 0.00 46.19 43.84 2jyc s LEU 5 CO -0.00 -0.59 -0.06 0.21 0.23 0.00 0.00 176.35 176.14 2jyc s ASN 6 N 1.82 2.91 0.29 2.29 3.04 -0.58 -5.01 114.94 119.70 2jyc s ASN 6 Ca 0.13 -0.70 0.06 0.00 0.04 0.00 0.00 52.86 52.39 2jyc s ASN 6 Cb -0.17 -0.94 -0.02 0.00 -1.54 0.00 0.00 41.25 38.58 2jyc s ASN 6 CO 0.14 -0.18 0.35 -1.83 -3.04 0.00 0.00 177.10 172.54 2jyc s GLU 7 N 1.61 3.09 0.25 0.43 -1.05 -1.26 -0.97 118.70 120.79 2jyc s GLU 7 Ca 0.00 -1.01 0.11 0.00 -0.15 0.00 0.00 54.97 53.92 2jyc s GLU 7 Cb -0.15 -2.72 -0.05 0.00 -0.44 0.00 0.00 34.13 30.77 2jyc s GLU 7 CO -0.08 0.23 -0.12 -0.51 0.95 0.00 0.00 175.26 175.74 2jyc s ASP 8 N -4.02 4.02 0.70 0.83 1.11 -0.54 -4.99 116.67 113.78 2jyc s ASP 8 Ca 0.39 -0.80 -0.16 0.00 0.18 0.00 0.00 52.55 52.16 2jyc s ASP 8 Cb -0.08 -0.56 -0.03 0.00 1.07 0.00 0.00 42.92 43.32 2jyc s ASP 8 CO 0.28 0.05 0.73 -0.81 1.18 0.00 0.00 175.17 176.60 2jyc n PRO 9 N -0.49 0.44 0.00 8.23 -0.04 -1.26 -4.49 135.00 137.39 2jyc n PRO 9 Ca -0.07 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2jyc n PRO 9 Cb 0.58 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 2jyc n PRO 9 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jyc n GLU 10 N -1.14 0.00 -1.18 0.54 1.02 -1.26 -4.63 120.64 113.99 2jyc n GLU 10 Ca 0.12 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.19 2jyc n GLU 10 Cb 0.49 -0.31 -0.03 0.00 -0.02 0.00 0.00 31.44 31.57 2jyc n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jyc n GLY 11 N 1.51 0.63 3.85 0.62 0.00 -1.26 -4.74 105.19 105.80 2jyc n GLY 11 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 2jyc n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jyc s SER 12 N -2.26 -0.03 0.18 1.61 0.15 -1.26 -4.99 113.70 107.10 2jyc s SER 12 Ca 0.00 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 56.11 2jyc s SER 12 Cb 0.00 0.37 0.07 0.00 -1.71 0.00 0.00 66.02 64.75 2jyc s SER 12 CO 0.00 -0.73 1.58 0.03 1.20 0.00 0.00 173.24 175.33 2jyc h ARG 13 N 2.00 0.95 -5.99 5.44 2.47 -1.88 -3.43 114.38 113.94 2jyc h ARG 13 Ca -0.26 -0.39 -0.58 0.00 -1.26 0.00 0.00 59.98 57.49 2jyc h ARG 13 Cb 1.21 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 29.42 2jyc h ARG 13 CO 0.32 1.05 0.52 0.42 0.56 0.00 0.00 179.97 182.84 2jyc s ILE 14 N -4.69 4.82 -0.14 2.04 1.01 -1.25 0.25 121.20 123.24 2jyc s ILE 14 Ca -0.11 1.76 0.02 0.00 0.00 0.00 0.00 60.65 62.32 2jyc s ILE 14 Cb 0.13 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.41 2jyc s ILE 14 CO 0.86 -0.04 -0.21 -0.89 0.00 0.00 0.00 174.94 174.66 2jyc s THR 15 N 2.48 2.13 -0.11 2.92 2.01 0.89 -4.78 115.64 121.18 2jyc s THR 15 Ca 0.40 -0.96 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 2jyc s THR 15 Cb -0.16 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 2jyc s THR 15 CO 0.11 0.55 0.47 -0.31 -0.69 0.00 0.00 174.62 174.75 2jyc s TYR 16 N 0.80 3.52 0.01 4.92 2.02 -1.26 -0.16 117.35 127.20 2jyc s TYR 16 Ca -0.07 0.89 0.01 0.00 -0.37 0.00 0.00 57.07 57.53 2jyc s TYR 16 Cb -0.16 -2.54 -0.01 0.00 -0.40 0.00 0.00 41.96 38.86 2jyc s TYR 16 CO -0.01 0.19 -0.04 0.08 -1.57 0.00 0.00 175.55 174.20 2jyc s VAL 17 N 0.54 0.27 -0.15 0.71 1.01 0.03 -1.47 120.40 121.34 2jyc s VAL 17 Ca 0.26 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 2jyc s VAL 17 Cb -0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 2jyc s VAL 17 CO 0.10 -0.04 0.11 -1.59 0.00 0.00 0.00 175.10 173.68 2jyc s LYS 18 N -0.40 3.69 0.00 2.72 0.00 -0.14 0.68 119.74 126.29 2jyc s LYS 18 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 55.97 55.74 2jyc s LYS 18 Cb -0.03 -3.22 0.00 0.00 0.00 0.00 0.00 37.83 34.58 2jyc s LYS 18 CO -0.00 0.56 0.00 0.41 0.00 0.00 0.00 175.35 176.31 2jyc n GLY 19 N 2.68 -0.37 3.14 0.59 0.00 -0.79 -1.53 105.19 108.91 2jyc n GLY 19 Ca -0.18 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 2jyc n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jyc s ASP 20 N -4.00 2.55 0.31 1.61 -1.08 -1.26 -4.09 116.67 110.71 2jyc s ASP 20 Ca 0.00 -0.45 0.10 0.00 -0.52 0.00 0.00 52.55 51.67 2jyc s ASP 20 Cb 0.00 -1.16 0.49 0.00 -1.46 0.00 0.00 42.92 40.79 2jyc s ASP 20 CO 0.00 0.11 1.70 0.25 0.52 0.00 0.00 175.17 177.75 2jyc h LEU 21 N 6.80 0.08 -0.11 -1.34 6.46 -1.96 -2.63 115.31 122.61 2jyc h LEU 21 Ca -0.24 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2jyc h LEU 21 Cb 1.22 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2jyc h LEU 21 CO 0.47 0.56 0.00 0.49 -0.62 0.00 0.00 178.44 179.34 2jyc n PHE 22 N -3.96 0.91 0.32 1.25 3.72 -1.26 -2.29 117.46 116.15 2jyc n PHE 22 Ca -0.02 0.28 0.08 0.00 -0.05 0.00 0.00 57.45 57.74 2jyc n PHE 22 Cb 0.51 -0.96 0.23 0.00 -0.94 0.00 0.00 39.48 38.33 2jyc n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jyc n ALA 23 N -1.78 2.51 -2.61 4.37 0.00 -1.00 -4.94 120.51 117.07 2jyc n ALA 23 Ca 0.05 -0.93 -0.38 0.00 0.00 0.00 0.00 53.44 52.18 2jyc n ALA 23 Cb 0.40 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 2jyc n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jyc n PRO 25 N 1.84 0.28 0.00 0.00 -0.02 -1.26 -4.91 135.00 130.93 2jyc n PRO 25 Ca -0.15 0.16 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 2jyc n PRO 25 Cb 0.53 -2.21 0.21 0.00 -0.02 0.00 0.00 33.50 32.01 2jyc n PRO 25 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2jyc n LYS 26 N -2.19 0.00 0.12 -0.52 0.00 -1.26 -3.26 118.16 111.05 2jyc n LYS 26 Ca 0.12 0.34 0.12 0.00 -0.00 0.00 0.00 58.31 58.89 2jyc n LYS 26 Cb 0.50 -1.51 0.47 0.00 -0.00 0.00 0.00 35.03 34.49 2jyc n LYS 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2jyc n THR 27 N -1.51 0.75 -3.86 0.58 -2.24 -1.26 -4.16 114.28 102.58 2jyc n THR 27 Ca 0.02 0.07 -0.37 0.00 -2.27 0.00 0.00 64.05 61.50 2jyc n THR 27 Cb 0.11 -0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 67.30 2jyc n THR 27 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jyc s ASP 28 N -4.32 6.36 0.68 3.42 1.01 -1.20 -4.82 116.67 117.79 2jyc s ASP 28 Ca 0.06 0.43 -0.10 0.00 0.71 0.00 0.00 52.55 53.65 2jyc s ASP 28 Cb 0.10 -2.07 0.01 0.00 1.01 0.00 0.00 42.92 41.97 2jyc s ASP 28 CO 0.46 0.37 1.06 -0.44 0.21 0.00 0.00 175.17 176.83 2jyc s SER 29 N -0.81 5.53 -0.01 0.27 0.01 0.37 -4.78 113.70 114.29 2jyc s SER 29 Ca 0.14 1.08 0.07 0.00 1.31 0.00 0.00 55.95 58.55 2jyc s SER 29 Cb -0.12 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 2jyc s SER 29 CO 0.03 -1.26 -0.22 -0.22 0.41 0.00 0.00 173.24 171.98 2jyc s LEU 30 N -5.28 2.07 -0.01 2.44 0.20 -0.49 0.25 118.68 117.85 2jyc s LEU 30 Ca 0.57 -0.42 -0.04 0.00 0.69 0.00 0.00 54.13 54.93 2jyc s LEU 30 Cb -0.11 -1.11 0.00 0.00 -0.43 0.00 0.00 46.19 44.54 2jyc s LEU 30 CO 0.51 0.25 0.09 0.00 -0.29 0.00 0.00 176.35 176.91 2jyc s ALA 31 N -0.57 -0.21 0.05 5.97 0.00 0.40 0.65 121.76 128.05 2jyc s ALA 31 Ca 0.08 -0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.75 2jyc s ALA 31 Cb -0.09 -0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.11 2jyc s ALA 31 CO -0.00 -0.13 1.04 -3.38 0.00 0.00 0.00 175.76 173.29 2jyc s HIS 32 N -0.73 -0.15 0.05 0.00 -3.43 -0.58 -4.20 115.29 106.24 2jyc s HIS 32 Ca -0.08 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 2jyc s HIS 32 Cb -0.05 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.65 2jyc s HIS 32 CO 0.00 -0.58 0.18 0.00 -2.00 0.00 0.00 174.74 172.34 2jyc s ILE 34 N -1.45 0.00 0.30 0.00 -4.36 0.14 -4.83 121.20 111.00 2jyc s ILE 34 Ca 0.33 -1.80 -0.00 0.00 -0.26 0.00 0.00 60.65 58.91 2jyc s ILE 34 Cb -0.13 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 2jyc s ILE 34 CO 0.25 0.00 0.51 -0.94 0.24 0.00 0.00 174.94 175.00 2jyc s SER 35 N -3.11 6.34 0.43 4.36 1.04 -1.26 -1.89 113.70 119.61 2jyc s SER 35 Ca 0.33 0.47 0.18 0.00 0.48 0.00 0.00 55.95 57.42 2jyc s SER 35 Cb 0.04 -2.04 0.99 0.00 0.10 0.00 0.00 66.02 65.11 2jyc s SER 35 CO 0.11 -0.22 1.92 1.05 0.98 0.00 0.00 173.24 177.08 2jyc h GLU 36 N 1.19 0.00 0.00 4.02 4.11 -0.66 -1.15 114.58 122.09 2jyc h GLU 36 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 2jyc h GLU 36 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2jyc h GLU 36 CO 0.63 0.26 -0.05 -0.44 0.07 0.00 0.00 179.01 179.48 2jyc h ASP 37 N 0.00 0.00 -0.97 3.06 3.32 -1.69 -3.47 116.42 116.67 2jyc h ASP 37 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.70 2jyc h ASP 37 Cb 0.53 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.96 2jyc h ASP 37 CO 0.03 0.05 -0.32 0.00 -1.72 0.00 0.00 179.24 177.28 2jyc h ARG 39 N 0.00 0.48 0.00 0.00 3.08 -1.90 -3.46 114.38 112.58 2jyc h ARG 39 Ca -0.35 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2jyc h ARG 39 Cb 1.12 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2jyc h ARG 39 CO 0.50 0.55 0.00 -1.33 -1.07 0.00 0.00 179.97 178.62 2jyc n MET 40 N -4.25 0.00 0.00 0.04 2.81 -1.26 -4.81 117.12 109.65 2jyc n MET 40 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2jyc n MET 40 Cb 0.27 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.78 2jyc n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jyc n GLY 41 N 0.00 2.13 3.48 3.03 0.00 -1.26 -4.82 105.19 107.76 2jyc n GLY 41 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2jyc n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc s ALA 42 N -0.65 0.24 0.00 4.61 0.00 -1.26 -4.97 121.76 119.74 2jyc s ALA 42 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2jyc s ALA 42 Cb 0.00 1.16 0.00 0.00 0.00 0.00 0.00 23.12 24.28 2jyc s ALA 42 CO 0.00 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2jyc n GLY 43 N -0.38 -2.17 0.07 0.00 0.00 -1.26 -3.83 105.19 97.62 2jyc n GLY 43 Ca -0.00 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.62 2jyc n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jyc n ILE 44 N -0.21 0.38 -0.28 -0.61 3.06 -1.26 -3.48 119.36 116.96 2jyc n ILE 44 Ca 0.00 -0.18 -0.02 0.00 -2.50 0.00 0.00 62.75 60.05 2jyc n ILE 44 Cb 0.00 -0.55 0.15 0.00 0.54 0.00 0.00 39.64 39.78 2jyc n ILE 44 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2jyc h ALA 45 N 2.70 1.27 -0.58 1.51 0.00 -1.88 -1.83 119.26 120.44 2jyc h ALA 45 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2jyc h ALA 45 Cb 0.65 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2jyc h ALA 45 CO 0.00 0.60 0.21 -0.24 0.00 0.00 0.00 179.25 179.82 2jyc h VAL 46 N 1.14 1.22 -0.89 0.00 3.04 -1.66 -0.46 116.25 118.64 2jyc h VAL 46 Ca 0.29 -0.70 -0.00 0.00 -1.01 0.00 0.00 66.70 65.28 2jyc h VAL 46 Cb 0.01 0.54 -0.04 0.00 -2.01 0.00 0.00 31.29 29.79 2jyc h VAL 46 CO -0.05 0.27 0.53 -0.07 -1.01 0.00 0.00 177.57 177.25 2jyc h LEU 47 N 0.84 1.06 -0.84 3.16 3.38 -1.54 -2.30 115.31 119.07 2jyc h LEU 47 Ca 0.20 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2jyc h LEU 47 Cb 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2jyc h LEU 47 CO -0.01 0.82 -0.26 -0.26 0.09 0.00 0.00 178.44 178.81 2jyc h PHE 48 N 1.22 0.64 -0.63 1.13 -1.00 -0.54 -1.86 116.94 115.90 2jyc h PHE 48 Ca 0.32 -0.14 -0.04 0.00 2.81 0.00 0.00 57.97 60.91 2jyc h PHE 48 Cb -0.05 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.33 2jyc h PHE 48 CO 0.01 0.77 0.22 1.57 -1.61 0.00 0.00 178.31 179.27 2jyc h LYS 49 N 0.49 0.94 0.03 1.51 5.09 -0.56 0.30 116.57 124.37 2jyc h LYS 49 Ca 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 60.65 60.64 2jyc h LYS 49 Cb 0.71 -0.15 0.00 0.00 0.10 0.00 0.00 32.23 32.89 2jyc h LYS 49 CO 0.05 0.79 -0.01 0.87 -2.09 0.00 0.00 179.45 179.06 2jyc h LYS 50 N 0.92 -0.03 -0.21 0.07 6.56 -1.46 -2.59 116.57 119.82 2jyc h LYS 50 Ca 0.21 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.71 2jyc h LYS 50 Cb 0.22 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.89 2jyc h LYS 50 CO -0.01 0.61 -0.24 0.87 -2.06 0.00 0.00 179.45 178.61 2jyc h LYS 51 N -0.72 0.54 0.00 3.15 1.57 -1.15 -3.31 116.57 116.65 2jyc h LYS 51 Ca -0.00 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.31 2jyc h LYS 51 Cb 0.66 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 2jyc h LYS 51 CO 0.01 0.89 -1.88 1.19 -0.57 0.00 0.00 179.45 179.08 2jyc n PHE 52 N -4.38 0.37 -3.94 -1.35 3.01 0.11 -4.99 117.46 106.28 2jyc n PHE 52 Ca -0.05 0.12 -0.29 0.00 1.01 0.00 0.00 57.45 58.24 2jyc n PHE 52 Cb 0.44 -0.87 0.01 0.00 -0.01 0.00 0.00 39.48 39.04 2jyc n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jyc n GLY 53 N 1.46 -0.39 1.97 1.37 0.00 -0.98 -4.90 105.19 103.72 2jyc n GLY 53 Ca -0.15 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2jyc n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jyc n GLY 54 N -1.67 6.07 0.22 -0.02 0.00 -1.26 -4.73 105.19 103.80 2jyc n GLY 54 Ca -0.09 -2.38 -0.12 0.00 0.00 0.00 0.00 46.02 43.43 2jyc n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jyc h VAL 55 N 1.71 1.29 -0.50 1.61 2.07 -1.90 -1.99 116.25 118.55 2jyc h VAL 55 Ca 0.41 -1.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 2jyc h VAL 55 Cb 1.35 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 2jyc h VAL 55 CO 0.92 0.43 -0.06 1.56 0.02 0.00 0.00 177.57 180.44 2jyc h GLN 56 N 0.48 0.88 -0.81 1.57 7.50 -1.99 -1.03 115.11 121.71 2jyc h GLN 56 Ca 0.07 -0.28 0.02 0.00 0.50 0.00 0.00 58.65 58.96 2jyc h GLN 56 Cb 0.74 -0.08 -0.04 0.00 0.05 0.00 0.00 27.48 28.15 2jyc h GLN 56 CO 0.06 0.92 0.53 0.93 -1.50 0.00 0.00 178.83 179.76 2jyc h GLU 57 N 0.80 1.02 -0.48 1.46 5.08 -1.86 0.37 114.58 120.98 2jyc h GLU 57 Ca 0.14 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2jyc h GLU 57 Cb 0.56 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2jyc h GLU 57 CO 0.03 0.68 0.01 -0.07 -1.00 0.00 0.00 179.01 178.66 2jyc h LEU 58 N 1.05 0.82 -0.12 1.33 3.38 -0.85 -2.78 115.31 118.15 2jyc h LEU 58 Ca 0.31 -0.30 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2jyc h LEU 58 Cb -0.07 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.47 2jyc h LEU 58 CO -0.08 0.92 -0.71 -0.07 0.09 0.00 0.00 178.44 178.58 2jyc h LEU 59 N 0.70 0.83 -2.22 1.67 3.38 -0.68 -3.20 115.31 115.79 2jyc h LEU 59 Ca 0.14 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 2jyc h LEU 59 Cb 0.49 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jyc h LEU 59 CO 0.02 1.35 -0.06 0.78 0.09 0.00 0.00 178.44 180.62 2jyc h ASN 60 N 0.37 0.00 0.44 -0.43 2.35 -0.28 -0.24 115.58 117.79 2jyc h ASN 60 Ca -0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 2jyc h ASN 60 Cb 1.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.72 2jyc h ASN 60 CO 0.15 0.06 -0.19 1.56 -1.65 0.00 0.00 177.43 177.35 2jyc h GLN 61 N 0.00 0.00 -5.56 0.81 4.20 -1.48 -3.48 115.11 109.60 2jyc h GLN 61 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jyc h GLN 61 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2jyc h GLN 61 CO 0.01 0.19 -1.00 1.04 -0.67 0.00 0.00 178.83 178.40 2jyc n GLN 62 N -3.74 -2.43 -4.78 1.46 6.02 -0.10 -5.03 117.38 108.78 2jyc n GLN 62 Ca -0.02 2.12 -0.29 0.00 -0.01 0.00 0.00 57.00 58.81 2jyc n GLN 62 Cb 0.30 -3.85 -0.14 0.00 1.02 0.00 0.00 30.24 27.57 2jyc n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2jyc s LYS 63 N -1.37 1.65 0.36 -1.09 0.00 -1.26 -5.14 119.74 112.89 2jyc s LYS 63 Ca -0.01 -1.10 0.08 0.00 0.00 0.00 0.00 55.97 54.94 2jyc s LYS 63 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 37.83 35.95 2jyc s LYS 63 CO 0.51 0.47 0.23 0.15 0.00 0.00 0.00 175.35 176.71 2jyc s LYS 64 N -1.33 2.50 -0.16 1.78 -0.14 -1.26 -4.83 119.74 116.30 2jyc s LYS 64 Ca 0.11 -1.49 -0.35 0.00 -1.36 0.00 0.00 55.97 52.88 2jyc s LYS 64 Cb -0.10 -2.28 -0.12 0.00 -1.68 0.00 0.00 37.83 33.65 2jyc s LYS 64 CO 0.02 0.04 1.94 0.43 -0.76 0.00 0.00 175.35 177.02 2jyc n SER 65 N -1.29 3.13 0.00 2.83 7.64 -1.26 -1.02 113.62 123.65 2jyc n SER 65 Ca -0.01 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.71 2jyc n SER 65 Cb 0.61 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2jyc n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jyc n GLY 66 N 4.80 0.92 3.59 0.23 0.00 0.57 -4.97 105.19 110.32 2jyc n GLY 66 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 2jyc n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jyc s GLU 67 N -0.85 1.97 -0.03 1.61 2.02 -0.19 -3.92 118.70 119.31 2jyc s GLU 67 Ca 0.00 -1.81 0.07 0.00 0.02 0.00 0.00 54.97 53.26 2jyc s GLU 67 Cb 0.00 -1.85 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 2jyc s GLU 67 CO 0.00 0.16 -0.25 0.54 0.02 0.00 0.00 175.26 175.72 2jyc s VAL 68 N -2.54 2.02 -0.01 2.63 0.11 -1.26 -1.21 120.40 120.12 2jyc s VAL 68 Ca 0.34 -1.08 -0.01 0.00 -2.93 0.00 0.00 61.98 58.30 2jyc s VAL 68 Cb 0.00 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 2jyc s VAL 68 CO 0.18 0.57 0.08 0.00 -3.33 0.00 0.00 175.10 172.60 2jyc s ALA 69 N -0.48 3.60 -0.02 1.54 0.00 0.03 -4.95 121.76 121.47 2jyc s ALA 69 Ca 0.06 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.21 2jyc s ALA 69 Cb -0.11 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 2jyc s ALA 69 CO 0.00 0.68 -0.13 0.08 0.00 0.00 0.00 175.76 176.39 2jyc s VAL 70 N -1.17 1.07 0.07 0.00 1.01 -1.26 -0.72 120.40 119.39 2jyc s VAL 70 Ca 0.22 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2jyc s VAL 70 Cb -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2jyc s VAL 70 CO 0.13 0.31 -0.17 -0.76 0.00 0.00 0.00 175.10 174.61 2jyc s LEU 71 N -0.11 2.25 -0.18 3.92 1.43 -0.75 -4.94 118.68 120.30 2jyc s LEU 71 Ca 0.01 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 2jyc s LEU 71 Cb -0.07 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2jyc s LEU 71 CO 0.00 0.01 -0.04 -0.75 0.23 0.00 0.00 176.35 175.80 2jyc s LYS 72 N -1.60 3.56 -0.06 1.70 2.20 -1.26 0.15 119.74 124.43 2jyc s LYS 72 Ca 0.02 -0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 55.06 2jyc s LYS 72 Cb -0.09 -2.93 0.03 0.00 -1.51 0.00 0.00 37.83 33.32 2jyc s LYS 72 CO 0.03 0.09 -0.00 0.50 -0.36 0.00 0.00 175.35 175.61 2jyc s ARG 73 N 0.74 0.55 0.00 4.03 6.06 -0.86 -4.95 118.95 124.53 2jyc s ARG 73 Ca -0.02 0.09 0.00 0.00 -2.50 0.00 0.00 55.73 53.30 2jyc s ARG 73 Cb -0.15 -0.84 0.00 0.00 0.06 0.00 0.00 34.95 34.02 2jyc s ARG 73 CO 0.02 -0.24 0.00 -0.25 -2.50 0.00 0.00 175.30 172.33 2jyc n ASP 74 N 4.82 0.00 -0.20 -2.12 8.00 -1.26 -0.10 116.55 125.68 2jyc n ASP 74 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 2jyc n ASP 74 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jyc n GLY 75 N 0.00 0.40 3.82 0.44 0.00 -1.26 -5.13 105.19 103.47 2jyc n GLY 75 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2jyc n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jyc s ARG 76 N 0.00 3.02 -0.22 1.61 0.52 0.85 -4.93 118.95 119.81 2jyc s ARG 76 Ca 0.00 -0.75 -0.07 0.00 -0.52 0.00 0.00 55.73 54.40 2jyc s ARG 76 Cb 0.00 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 2jyc s ARG 76 CO 0.00 0.52 0.05 0.71 0.02 0.00 0.00 175.30 176.60 2jyc s TYR 77 N -1.64 3.10 -0.24 -0.53 2.02 -1.26 -2.02 117.35 116.79 2jyc s TYR 77 Ca 0.31 -0.31 -0.14 0.00 -0.37 0.00 0.00 57.07 56.56 2jyc s TYR 77 Cb -0.11 -2.15 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 2jyc s TYR 77 CO 0.24 -0.20 0.33 0.42 -1.57 0.00 0.00 175.55 174.77 2jyc s ILE 78 N 1.12 5.23 -0.27 2.71 -1.09 0.12 -1.39 121.20 127.63 2jyc s ILE 78 Ca 0.04 0.51 -0.10 0.00 -2.23 0.00 0.00 60.65 58.87 2jyc s ILE 78 Cb -0.14 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 2jyc s ILE 78 CO 0.03 0.24 0.15 -0.31 -1.23 0.00 0.00 174.94 173.82 2jyc s TYR 79 N 1.54 3.18 -0.51 3.97 2.02 0.21 -1.82 117.35 125.94 2jyc s TYR 79 Ca 0.14 -0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 56.72 2jyc s TYR 79 Cb -0.15 -2.34 0.13 0.00 -0.40 0.00 0.00 41.96 39.21 2jyc s TYR 79 CO 0.08 -0.23 0.35 0.71 -1.57 0.00 0.00 175.55 174.89 2jyc s TYR 80 N 1.71 3.50 -0.18 2.71 1.51 0.10 -1.53 117.35 125.17 2jyc s TYR 80 Ca 0.07 -2.28 -0.29 0.00 -1.01 0.00 0.00 57.07 53.56 2jyc s TYR 80 Cb -0.16 -3.35 -0.01 0.00 -0.11 0.00 0.00 41.96 38.33 2jyc s TYR 80 CO 0.09 -0.95 1.27 -0.51 -1.11 0.00 0.00 175.55 174.33 2jyc s LEU 81 N 0.85 4.14 -0.51 -1.29 1.43 -0.41 -0.79 118.68 122.10 2jyc s LEU 81 Ca 0.10 1.62 -0.22 0.00 -1.03 0.00 0.00 54.13 54.61 2jyc s LEU 81 Cb -0.23 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.50 2jyc s LEU 81 CO -0.03 -0.80 0.78 -0.63 0.23 0.00 0.00 176.35 175.90 2jyc s ILE 82 N 3.62 4.63 -0.08 -0.59 -1.09 -0.35 0.23 121.20 127.57 2jyc s ILE 82 Ca 0.55 0.02 -0.06 0.00 -2.23 0.00 0.00 60.65 58.93 2jyc s ILE 82 Cb -0.21 -4.40 -0.04 0.00 -1.58 0.00 0.00 42.46 36.24 2jyc s ILE 82 CO 0.16 -0.91 0.24 0.71 -1.23 0.00 0.00 174.94 173.91 2jyc h THR 83 N 5.95 0.07 -3.10 2.92 1.35 -1.67 0.16 112.91 118.59 2jyc h THR 83 Ca -0.26 -0.92 -0.15 0.00 -0.55 0.00 0.00 66.41 64.52 2jyc h THR 83 Cb 1.08 0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.60 2jyc h THR 83 CO 1.01 0.02 -0.09 0.29 -0.25 0.00 0.00 175.52 176.51 2jyc n LYS 84 N -4.89 0.37 0.01 4.72 4.76 -1.26 -3.94 118.16 117.92 2jyc n LYS 84 Ca -0.03 -1.51 -0.00 0.00 -2.87 0.00 0.00 58.31 53.90 2jyc n LYS 84 Cb 0.09 1.45 -0.00 0.00 -1.84 0.00 0.00 35.03 34.72 2jyc n LYS 84 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2jyc h LYS 85 N 0.00 -0.02 -6.82 1.97 1.57 -1.94 0.14 116.57 111.48 2jyc h LYS 85 Ca -0.14 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.14 2jyc h LYS 85 Cb 0.64 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.96 2jyc h LYS 85 CO 0.20 -0.01 0.09 1.03 -0.57 0.00 0.00 179.45 180.18 2jyc s ARG 86 N -2.28 3.73 0.49 3.15 1.81 -1.26 -2.16 118.95 122.44 2jyc s ARG 86 Ca -0.00 0.39 0.31 0.00 -1.72 0.00 0.00 55.73 54.70 2jyc s ARG 86 Cb 0.00 -2.42 1.15 0.00 -0.45 0.00 0.00 34.95 33.24 2jyc s ARG 86 CO 0.01 -0.03 1.89 0.00 -0.68 0.00 0.00 175.30 176.49 2jyc h ALA 87 N 1.17 1.00 -0.00 2.13 0.00 -1.88 -1.38 119.26 120.30 2jyc h ALA 87 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jyc h ALA 87 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jyc h ALA 87 CO 0.64 0.00 -0.05 0.43 0.00 0.00 0.00 179.25 180.26 2jyc n SER 88 N -2.98 0.31 -4.79 0.00 7.64 -1.26 -4.83 113.62 107.71 2jyc n SER 88 Ca 0.01 -0.58 -0.37 0.00 1.01 0.00 0.00 58.87 58.95 2jyc n SER 88 Cb 0.34 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 2jyc n SER 88 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2jyc s HIS 89 N -2.39 3.69 -0.35 1.43 3.76 -0.52 -5.02 115.29 115.89 2jyc s HIS 89 Ca 0.33 1.71 -0.19 0.00 -0.15 0.00 0.00 55.06 56.75 2jyc s HIS 89 Cb 0.20 -2.86 -0.00 0.00 1.11 0.00 0.00 32.58 31.03 2jyc s HIS 89 CO 0.45 0.24 0.58 0.15 -0.85 0.00 0.00 174.74 175.31 2jyc s LYS 90 N -2.02 3.68 0.59 1.40 3.01 -1.26 -4.87 119.74 120.27 2jyc s LYS 90 Ca 0.48 -0.01 -0.20 0.00 -1.01 0.00 0.00 55.97 55.23 2jyc s LYS 90 Cb -0.18 -3.80 -0.04 0.00 -1.01 0.00 0.00 37.83 32.80 2jyc s LYS 90 CO 0.23 -0.67 1.23 -2.30 0.51 0.00 0.00 175.35 174.35 2jyc n PRO 91 N 5.89 1.29 -3.84 -1.68 -0.02 -1.26 -4.98 135.00 130.40 2jyc n PRO 91 Ca -0.03 0.49 -0.21 0.00 -2.02 0.00 0.00 63.50 61.73 2jyc n PRO 91 Cb 0.49 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2jyc n PRO 91 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jyc s THR 92 N -1.37 3.93 0.20 3.45 -4.23 -1.26 -4.93 115.64 111.43 2jyc s THR 92 Ca 0.76 -1.30 -0.06 0.00 -1.18 0.00 0.00 61.69 59.91 2jyc s THR 92 Cb -0.41 -3.31 0.03 0.00 1.34 0.00 0.00 72.50 70.15 2jyc s THR 92 CO 0.46 -0.22 1.61 1.88 -0.54 0.00 0.00 174.62 177.81 2jyc h TYR 93 N 1.24 0.95 -0.26 3.99 0.05 -1.98 0.38 116.97 121.35 2jyc h TYR 93 Ca -0.46 -0.22 -0.03 0.00 0.05 0.00 0.00 58.73 58.06 2jyc h TYR 93 Cb 1.25 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 2jyc h TYR 93 CO 0.52 0.98 0.03 1.49 -1.05 0.00 0.00 178.16 180.12 2jyc h GLU 94 N 0.73 0.44 -0.56 4.88 4.81 -1.97 0.41 114.58 123.32 2jyc h GLU 94 Ca 0.10 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2jyc h GLU 94 Cb 0.75 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 2jyc h GLU 94 CO 0.06 0.58 0.35 -0.91 -0.73 0.00 0.00 179.01 178.36 2jyc h ASN 95 N 0.24 0.57 -0.37 1.04 4.21 -1.86 0.37 115.58 119.78 2jyc h ASN 95 Ca 0.08 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.51 2jyc h ASN 95 Cb 0.36 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 2jyc h ASN 95 CO 0.01 0.40 -0.09 0.25 -1.29 0.00 0.00 177.43 176.71 2jyc h LEU 96 N 0.69 0.72 -0.42 1.61 5.85 -0.77 -2.71 115.31 120.29 2jyc h LEU 96 Ca 0.22 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.65 2jyc h LEU 96 Cb 0.00 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 2jyc h LEU 96 CO -0.09 0.92 0.09 -0.61 -0.34 0.00 0.00 178.44 178.41 2jyc h GLN 97 N 0.52 0.21 -0.80 1.25 4.15 0.41 -0.31 115.11 120.55 2jyc h GLN 97 Ca 0.09 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.59 2jyc h GLN 97 Cb 0.60 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.17 2jyc h GLN 97 CO 0.04 0.14 0.45 0.87 -1.93 0.00 0.00 178.83 178.40 2jyc h LYS 98 N 0.22 0.75 -0.29 1.69 1.79 -0.22 0.20 116.57 120.70 2jyc h LYS 98 Ca 0.20 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 2jyc h LYS 98 Cb 0.25 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 2jyc h LYS 98 CO -0.26 0.49 0.11 0.77 -1.08 0.00 0.00 179.45 179.48 2jyc h SER 99 N 0.77 0.41 -0.82 0.86 0.02 -0.95 0.11 113.55 113.95 2jyc h SER 99 Ca 0.38 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2jyc h SER 99 Cb 0.34 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 2jyc h SER 99 CO -0.24 0.47 0.53 -0.07 -1.14 0.00 0.00 176.83 176.38 2jyc h LEU 100 N 0.32 0.95 0.15 5.07 -0.00 -0.26 0.17 115.31 121.72 2jyc h LEU 100 Ca 0.10 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 2jyc h LEU 100 Cb 0.20 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2jyc h LEU 100 CO -0.01 0.70 -0.07 -0.33 -0.00 0.00 0.00 178.44 178.72 2jyc h GLU 101 N 1.11 -0.20 -0.45 1.13 5.08 -0.28 0.24 114.58 121.21 2jyc h GLU 101 Ca 0.30 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 2jyc h GLU 101 Cb -0.11 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 2jyc h GLU 101 CO -0.06 -0.01 0.17 0.00 -1.00 0.00 0.00 179.01 178.11 2jyc h ALA 102 N 0.46 0.55 0.25 3.43 0.00 -0.63 0.72 119.26 124.04 2jyc h ALA 102 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jyc h ALA 102 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jyc h ALA 102 CO 0.03 -0.22 -0.12 1.98 0.00 0.00 0.00 179.25 180.93 2jyc h MET 103 N 0.34 -0.32 -0.24 0.00 1.85 -0.46 -0.92 114.93 115.18 2jyc h MET 103 Ca 0.21 0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 59.25 2jyc h MET 103 Cb 0.20 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.29 2jyc h MET 103 CO -0.21 -0.21 -0.16 1.57 -0.40 0.00 0.00 176.91 177.50 2jyc h LYS 104 N -0.34 0.41 -0.12 0.39 5.09 -0.17 -0.18 116.57 121.65 2jyc h LYS 104 Ca -0.03 -0.12 -0.15 0.00 0.09 0.00 0.00 60.65 60.44 2jyc h LYS 104 Cb 0.26 -0.04 -0.01 0.00 0.10 0.00 0.00 32.23 32.54 2jyc h LYS 104 CO 0.06 0.56 -0.58 0.77 -2.09 0.00 0.00 179.45 178.17 2jyc h SER 105 N 0.38 0.42 -0.19 7.07 0.02 -0.75 -2.02 113.55 118.48 2jyc h SER 105 Ca 0.07 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 2jyc h SER 105 Cb 0.50 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2jyc h SER 105 CO 0.03 0.91 -0.02 -0.74 -1.14 0.00 0.00 176.83 175.87 2jyc h HIS 106 N 0.28 0.37 -0.63 3.45 -0.00 -0.59 -2.60 115.15 115.44 2jyc h HIS 106 Ca -0.00 -0.07 0.14 0.00 -0.00 0.00 0.00 60.37 60.43 2jyc h HIS 106 Cb 1.10 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 28.37 2jyc h HIS 106 CO 0.03 0.56 0.43 0.00 -0.00 0.00 0.00 177.93 178.95 2jyc h LEU 108 N 0.26 0.75 -0.58 0.00 3.38 -0.99 0.34 115.31 118.47 2jyc h LEU 108 Ca 0.30 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2jyc h LEU 108 Cb 0.82 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2jyc h LEU 108 CO -0.07 0.81 -0.27 0.07 0.09 0.00 0.00 178.44 179.07 2jyc h LYS 109 N 0.65 0.00 0.00 1.13 2.10 -0.95 -3.25 116.57 116.25 2jyc h LYS 109 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2jyc h LYS 109 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2jyc h LYS 109 CO 0.01 0.27 -1.51 0.27 -2.00 0.00 0.00 179.45 176.49 2jyc n ASN 110 N -3.27 1.56 0.00 7.07 0.23 -1.00 -5.02 115.26 114.82 2jyc n ASN 110 Ca 0.01 -0.12 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 2jyc n ASN 110 Cb 0.54 1.56 0.00 0.00 -2.08 0.00 0.00 39.78 39.80 2jyc n ASN 110 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jyc n GLY 111 N 1.63 0.99 3.62 4.83 0.00 0.93 -5.04 105.19 112.15 2jyc n GLY 111 Ca -0.02 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2jyc n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jyc s VAL 112 N -2.00 4.41 -0.03 1.61 1.01 0.26 -4.80 120.40 120.86 2jyc s VAL 112 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2jyc s VAL 112 Cb 0.00 -4.48 0.01 0.00 0.00 0.00 0.00 36.38 31.91 2jyc s VAL 112 CO 0.00 -0.67 0.93 0.35 0.00 0.00 0.00 175.10 175.71 2jyc n THR 113 N 6.22 0.84 -4.01 3.92 -2.24 -1.26 -4.60 114.28 113.15 2jyc n THR 113 Ca 0.12 -0.92 -0.25 0.00 -2.27 0.00 0.00 64.05 60.72 2jyc n THR 113 Cb 0.48 0.58 -0.17 0.00 -2.10 0.00 0.00 70.33 69.12 2jyc n THR 113 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jyc s ASP 114 N -0.85 1.90 0.01 3.42 1.11 -1.26 0.37 116.67 121.38 2jyc s ASP 114 Ca 0.01 -0.25 0.00 0.00 0.18 0.00 0.00 52.55 52.49 2jyc s ASP 114 Cb 0.00 -0.74 -0.01 0.00 1.07 0.00 0.00 42.92 43.25 2jyc s ASP 114 CO 0.00 -0.10 -0.03 -0.76 1.18 0.00 0.00 175.17 175.46 2jyc s LEU 115 N 1.52 2.15 -0.01 1.23 1.43 0.12 -0.48 118.68 124.64 2jyc s LEU 115 Ca 0.01 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2jyc s LEU 115 Cb -0.13 0.02 0.01 0.00 0.03 0.00 0.00 46.19 46.11 2jyc s LEU 115 CO -0.05 -0.17 -0.03 -0.94 0.23 0.00 0.00 176.35 175.39 2jyc s SER 116 N -0.92 0.45 0.03 2.29 1.04 0.14 0.42 113.70 117.14 2jyc s SER 116 Ca -0.09 -0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.18 2jyc s SER 116 Cb -0.06 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.96 2jyc s SER 116 CO -0.00 0.01 0.21 0.00 0.98 0.00 0.00 173.24 174.43 2jyc s MET 117 N 0.21 0.67 0.60 4.02 0.23 0.70 -0.45 119.30 125.28 2jyc s MET 117 Ca -0.02 -0.54 -0.08 0.00 -1.03 0.00 0.00 55.69 54.02 2jyc s MET 117 Cb -0.05 0.28 -0.01 0.00 -1.53 0.00 0.00 34.83 33.52 2jyc s MET 117 CO -0.00 -0.19 0.95 -1.25 -2.03 0.00 0.00 175.02 172.50 2jyc s PRO 118 N -2.26 3.18 -0.96 3.16 0.04 -1.26 0.07 135.00 136.96 2jyc s PRO 118 Ca -0.07 0.31 -0.25 0.00 0.04 0.00 0.00 61.00 61.02 2jyc s PRO 118 Cb -0.02 -2.19 -0.13 0.00 0.04 0.00 0.00 34.50 32.20 2jyc s PRO 118 CO -0.02 -0.65 2.13 0.50 0.04 0.00 0.00 177.00 179.00 2jyc s ARG 119 N -5.07 1.91 0.42 4.56 6.06 0.88 -4.62 118.95 123.09 2jyc s ARG 119 Ca 0.54 -0.24 -0.14 0.00 -2.50 0.00 0.00 55.73 53.38 2jyc s ARG 119 Cb -0.11 -4.99 -0.08 0.00 0.06 0.00 0.00 34.95 29.83 2jyc s ARG 119 CO 0.49 -4.35 0.84 0.96 -2.50 0.00 0.00 175.30 170.74 2jyc s ILE 120 N 13.44 4.64 -1.30 4.11 -0.00 -1.26 -4.92 121.20 135.91 2jyc s ILE 120 Ca 0.80 0.96 -0.18 0.00 -0.00 0.00 0.00 60.65 62.23 2jyc s ILE 120 Cb -0.07 -3.68 0.06 0.00 -0.00 0.00 0.00 42.46 38.76 2jyc s ILE 120 CO 0.09 -0.46 1.79 0.61 -0.00 0.00 0.00 174.94 176.97 2jyc n GLY 121 N -1.07 2.63 2.68 6.27 0.00 -1.26 -4.90 105.19 109.53 2jyc n GLY 121 Ca 0.04 -1.43 -0.49 0.00 0.00 0.00 0.00 46.02 44.14 2jyc n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc n GLY 123 N 5.27 1.90 2.75 0.00 0.00 -1.26 -4.20 105.19 109.65 2jyc n GLY 123 Ca 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 2jyc n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jyc s LEU 124 N 0.00 -0.60 0.00 0.99 1.98 -1.20 -4.76 118.68 115.10 2jyc s LEU 124 Ca 0.00 -0.60 0.00 0.00 -2.89 0.00 0.00 54.13 50.64 2jyc s LEU 124 Cb 0.00 0.78 0.00 0.00 0.66 0.00 0.00 46.19 47.63 2jyc s LEU 124 CO 0.00 -0.03 0.00 -0.67 -1.89 0.00 0.00 176.35 173.76 2jyc n ASP 125 N 3.02 0.00 0.26 3.68 2.03 -1.25 -4.03 116.55 120.26 2jyc n ASP 125 Ca 0.11 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.57 2jyc n ASP 125 Cb 0.62 0.00 0.67 0.00 -0.72 0.00 0.00 41.12 41.69 2jyc n ASP 125 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2jyc h ARG 126 N 0.00 0.00 -6.92 -0.67 2.47 -1.93 -3.43 114.38 103.90 2jyc h ARG 126 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 2jyc h ARG 126 Cb 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.35 2jyc h ARG 126 CO 0.00 0.09 0.47 -0.51 0.56 0.00 0.00 179.97 180.58 2jyc s LEU 127 N -6.56 4.26 -0.12 3.04 1.02 -1.26 -5.00 118.68 114.07 2jyc s LEU 127 Ca -0.00 2.25 -0.16 0.00 0.02 0.00 0.00 54.13 56.23 2jyc s LEU 127 Cb 0.10 -3.98 -0.05 0.00 0.02 0.00 0.00 46.19 42.29 2jyc s LEU 127 CO 0.57 -0.50 0.40 -1.10 0.02 0.00 0.00 176.35 175.73 2jyc s GLN 128 N -2.16 4.24 0.40 1.70 -0.21 -1.26 -4.80 119.66 117.57 2jyc s GLN 128 Ca 0.54 0.32 0.07 0.00 0.02 0.00 0.00 55.36 56.31 2jyc s GLN 128 Cb -0.29 -3.40 0.83 0.00 1.00 0.00 0.00 33.01 31.15 2jyc s GLN 128 CO 0.36 0.27 2.02 2.35 -2.12 0.00 0.00 175.29 178.17 2jyc h TRP 129 N 6.40 0.47 -0.12 0.91 2.91 -1.94 -0.34 115.95 124.24 2jyc h TRP 129 Ca -0.43 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 59.59 2jyc h TRP 129 Cb 1.18 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.67 2jyc h TRP 129 CO 0.63 0.35 0.06 1.49 -1.03 0.00 0.00 178.44 179.94 2jyc h GLU 130 N 0.49 0.13 -0.58 2.65 4.81 -1.99 0.49 114.58 120.58 2jyc h GLU 130 Ca 0.13 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2jyc h GLU 130 Cb 0.05 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2jyc h GLU 130 CO -0.02 0.08 0.37 -0.91 -0.73 0.00 0.00 179.01 177.80 2jyc h ASN 131 N 0.13 0.62 -0.02 1.04 4.21 -1.73 -0.98 115.58 118.86 2jyc h ASN 131 Ca 0.05 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 2jyc h ASN 131 Cb 0.01 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.06 2jyc h ASN 131 CO -0.03 0.45 -0.00 0.58 -1.29 0.00 0.00 177.43 177.13 2jyc h VAL 132 N 0.74 1.28 -0.46 2.81 2.07 -0.75 -1.11 116.25 120.84 2jyc h VAL 132 Ca 0.22 -0.83 0.08 0.00 0.82 0.00 0.00 66.70 66.98 2jyc h VAL 132 Cb -0.04 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 2jyc h VAL 132 CO -0.07 0.22 0.09 0.28 0.02 0.00 0.00 177.57 178.11 2jyc h SER 133 N -0.30 -0.00 -0.18 0.57 0.02 0.17 0.19 113.55 114.02 2jyc h SER 133 Ca 0.01 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2jyc h SER 133 Cb 0.36 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2jyc h SER 133 CO 0.00 0.03 0.11 0.00 -1.14 0.00 0.00 176.83 175.83 2jyc h ALA 134 N 1.35 0.23 -0.46 3.77 0.00 -1.17 -2.05 119.26 120.94 2jyc h ALA 134 Ca 0.23 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2jyc h ALA 134 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jyc h ALA 134 CO -0.30 -0.26 0.11 1.98 0.00 0.00 0.00 179.25 180.78 2jyc h MET 135 N 0.21 0.69 -0.34 0.00 -1.53 -0.48 0.08 114.93 113.56 2jyc h MET 135 Ca 0.06 -0.13 -0.00 0.00 -3.44 0.00 0.00 59.70 56.20 2jyc h MET 135 Cb 0.03 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 30.96 2jyc h MET 135 CO -0.01 0.63 0.20 0.82 0.14 0.00 0.00 176.91 178.69 2jyc h ILE 136 N 0.67 1.11 -0.08 1.77 2.04 -0.36 -0.43 117.51 122.23 2jyc h ILE 136 Ca 0.15 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2jyc h ILE 136 Cb 0.25 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2jyc h ILE 136 CO -0.00 0.11 -0.08 -0.33 0.00 0.00 0.00 178.15 177.85 2jyc h GLU 137 N 0.44 0.11 -0.12 2.37 4.39 -0.65 0.11 114.58 121.23 2jyc h GLU 137 Ca 0.12 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 2jyc h GLU 137 Cb 0.01 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2jyc h GLU 137 CO -0.02 0.20 -0.16 0.93 -1.16 0.00 0.00 179.01 178.80 2jyc h GLU 138 N 0.11 0.32 -0.01 2.33 4.39 -0.14 -0.10 114.58 121.48 2jyc h GLU 138 Ca 0.03 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 2jyc h GLU 138 Cb 0.22 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2jyc h GLU 138 CO 0.01 0.76 -0.03 0.28 -1.16 0.00 0.00 179.01 178.87 2jyc h VAL 139 N -0.09 1.49 0.00 3.13 2.07 -0.86 -3.23 116.25 118.76 2jyc h VAL 139 Ca 0.01 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2jyc h VAL 139 Cb 0.72 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2jyc h VAL 139 CO 0.04 0.39 0.00 0.49 0.02 0.00 0.00 177.57 178.51 2jyc n PHE 140 N -4.75 0.51 -0.36 1.57 3.01 0.37 -4.01 117.46 113.80 2jyc n PHE 140 Ca -0.09 0.18 0.30 0.00 1.01 0.00 0.00 57.45 58.86 2jyc n PHE 140 Cb 0.33 -0.79 0.57 0.00 -0.01 0.00 0.00 39.48 39.57 2jyc n PHE 140 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2jyc h GLU 141 N 0.00 0.14 -0.03 -1.08 4.57 -1.02 0.55 114.58 117.72 2jyc h GLU 141 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2jyc h GLU 141 Cb 0.43 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2jyc h GLU 141 CO 0.00 0.09 0.00 0.00 -1.18 0.00 0.00 179.01 177.92 2jyc n ALA 142 N -2.35 2.61 -2.31 2.92 0.00 -1.26 -4.84 120.51 115.28 2jyc n ALA 142 Ca 0.35 -0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 2jyc n ALA 142 Cb 1.22 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 2jyc n ALA 142 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jyc s THR 143 N -1.97 0.00 -0.40 0.00 -4.23 0.19 -5.11 115.64 104.13 2jyc s THR 143 Ca 0.32 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.87 2jyc s THR 143 Cb 0.15 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.65 2jyc s THR 143 CO 0.25 0.00 0.35 -0.62 -0.54 0.00 0.00 174.62 174.06 2jyc s ASP 144 N -3.38 1.51 -0.20 3.99 2.15 -1.26 -4.94 116.67 114.53 2jyc s ASP 144 Ca 0.41 -2.49 -0.06 0.00 0.43 0.00 0.00 52.55 50.84 2jyc s ASP 144 Cb 0.02 -0.06 -0.03 0.00 -0.30 0.00 0.00 42.92 42.55 2jyc s ASP 144 CO 0.29 -0.21 0.03 -0.63 -0.17 0.00 0.00 175.17 174.48 2jyc s ILE 145 N 0.61 4.30 -0.09 4.11 1.01 -1.26 -4.87 121.20 125.00 2jyc s ILE 145 Ca 0.26 -0.20 -0.27 0.00 0.00 0.00 0.00 60.65 60.44 2jyc s ILE 145 Cb -0.06 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 2jyc s ILE 145 CO -0.10 0.43 0.88 -0.54 0.00 0.00 0.00 174.94 175.60 2jyc s LYS 146 N 0.85 4.43 -0.23 2.79 -0.14 0.16 -4.71 119.74 122.89 2jyc s LYS 146 Ca 0.02 1.17 -0.01 0.00 -1.36 0.00 0.00 55.97 55.79 2jyc s LYS 146 Cb -0.14 -3.51 0.02 0.00 -1.68 0.00 0.00 37.83 32.52 2jyc s LYS 146 CO 0.02 -0.16 -0.09 0.42 -0.76 0.00 0.00 175.35 174.78 2jyc s ILE 147 N 1.49 2.78 -0.26 2.17 1.01 0.14 0.16 121.20 128.70 2jyc s ILE 147 Ca 0.44 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 60.11 2jyc s ILE 147 Cb -0.18 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 2jyc s ILE 147 CO 0.19 0.33 0.12 -0.89 0.00 0.00 0.00 174.94 174.69 2jyc s THR 148 N 1.35 4.72 -0.36 2.92 2.01 0.17 -0.08 115.64 126.37 2jyc s THR 148 Ca 0.02 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 2jyc s THR 148 Cb -0.15 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.14 2jyc s THR 148 CO -0.06 0.30 0.22 -0.69 -0.69 0.00 0.00 174.62 173.70 2jyc s VAL 149 N 1.66 4.88 -0.29 3.82 1.01 0.78 -0.22 120.40 132.03 2jyc s VAL 149 Ca 0.07 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 2jyc s VAL 149 Cb -0.15 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2jyc s VAL 149 CO 0.07 -0.14 0.56 -0.31 0.00 0.00 0.00 175.10 175.27 2jyc s TYR 150 N 1.63 3.23 -0.26 5.22 2.02 0.11 -0.79 117.35 128.52 2jyc s TYR 150 Ca 0.04 0.53 -0.18 0.00 -0.37 0.00 0.00 57.07 57.09 2jyc s TYR 150 Cb -0.18 -2.86 -0.03 0.00 -0.40 0.00 0.00 41.96 38.49 2jyc s TYR 150 CO 0.08 -0.40 0.53 0.95 -1.57 0.00 0.00 175.55 175.14 2jyc s THR 151 N 2.43 5.06 0.00 -0.71 -4.23 0.21 -0.09 115.64 118.32 2jyc s THR 151 Ca 0.22 0.92 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 2jyc s THR 151 Cb -0.15 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.84 2jyc s THR 151 CO 0.11 0.08 0.48 -0.11 -0.54 0.00 0.00 174.62 174.63