#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyc s ALA 2 N 0.00 3.29 -0.21 0.62 0.00 -1.26 -4.95 121.76 119.25 2jyc s ALA 2 Ca 0.00 -2.53 -0.02 0.00 0.00 0.00 0.00 51.96 49.41 2jyc s ALA 2 Cb 0.00 -4.01 0.06 0.00 0.00 0.00 0.00 23.12 19.17 2jyc s ALA 2 CO 0.00 -2.94 0.01 -1.12 0.00 0.00 0.00 175.76 171.70 2jyc s SER 3 N 3.70 3.23 -0.29 0.00 0.01 -1.26 -5.06 113.70 114.03 2jyc s SER 3 Ca 0.30 -0.95 0.03 0.00 1.31 0.00 0.00 55.95 56.65 2jyc s SER 3 Cb -0.08 -0.79 0.17 0.00 0.21 0.00 0.00 66.02 65.53 2jyc s SER 3 CO -0.05 -0.28 0.46 -0.94 0.41 0.00 0.00 173.24 172.84 2jyc s SER 4 N 1.70 -0.15 -0.33 2.44 1.04 -1.25 -4.41 113.70 112.74 2jyc s SER 4 Ca -0.03 -0.27 -0.00 0.00 0.48 0.00 0.00 55.95 56.13 2jyc s SER 4 Cb -0.18 1.35 0.13 0.00 0.10 0.00 0.00 66.02 67.43 2jyc s SER 4 CO -0.07 -0.34 0.25 -0.22 0.98 0.00 0.00 173.24 173.84 2jyc s LEU 5 N 2.59 0.38 -0.24 2.42 0.20 -1.23 -5.07 118.68 117.73 2jyc s LEU 5 Ca 0.10 -1.57 -0.00 0.00 0.69 0.00 0.00 54.13 53.35 2jyc s LEU 5 Cb -0.12 0.03 0.06 0.00 -0.43 0.00 0.00 46.19 45.74 2jyc s LEU 5 CO -0.28 -0.34 -0.02 0.20 -0.29 0.00 0.00 176.35 175.62 2jyc s ASN 6 N 1.63 3.69 0.00 3.68 -0.87 -1.26 -4.72 114.94 117.09 2jyc s ASN 6 Ca 0.14 -1.17 0.00 0.00 -1.57 0.00 0.00 52.86 50.26 2jyc s ASN 6 Cb -0.18 -1.04 0.00 0.00 -0.02 0.00 0.00 41.25 40.02 2jyc s ASN 6 CO -0.15 -0.27 0.43 -0.62 -2.57 0.00 0.00 177.10 173.92 2jyc n GLU 7 N 4.76 0.00 -3.63 -0.60 1.02 -1.26 -4.98 120.64 115.95 2jyc n GLU 7 Ca -0.10 0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.02 2jyc n GLU 7 Cb 0.44 -0.93 -0.06 0.00 -0.02 0.00 0.00 31.44 30.87 2jyc n GLU 7 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jyc s ASP 8 N -1.85 -0.59 0.23 1.62 2.15 -1.26 -5.14 116.67 111.83 2jyc s ASP 8 Ca 0.00 0.93 -0.31 0.00 0.43 0.00 0.00 52.55 53.61 2jyc s ASP 8 Cb 0.00 1.28 -0.11 0.00 -0.30 0.00 0.00 42.92 43.80 2jyc s ASP 8 CO 0.00 -0.15 1.56 -2.16 -0.17 0.00 0.00 175.17 174.25 2jyc s PRO 9 N 1.48 4.19 0.07 4.34 0.04 -1.26 -4.87 135.00 138.99 2jyc s PRO 9 Ca -0.09 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2jyc s PRO 9 Cb -0.04 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2jyc s PRO 9 CO -0.16 -0.58 0.00 -1.91 0.04 0.00 0.00 177.00 174.39 2jyc n GLU 10 N 3.02 0.00 -3.09 4.56 2.13 -1.26 -5.04 120.64 120.97 2jyc n GLU 10 Ca 0.11 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.53 2jyc n GLU 10 Cb 0.38 -0.32 -0.06 0.00 0.27 0.00 0.00 31.44 31.71 2jyc n GLU 10 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2jyc s GLY 11 N -4.75 2.83 0.32 8.31 0.00 -1.20 -4.93 107.32 107.90 2jyc s GLY 11 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.98 2jyc s GLY 11 CO 0.00 0.73 1.90 0.23 0.00 0.00 0.00 173.10 175.95 2jyc h SER 12 N 4.41 0.66 0.00 1.64 0.87 -1.96 -3.38 113.55 115.79 2jyc h SER 12 Ca -0.48 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 2jyc h SER 12 Cb 1.21 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2jyc h SER 12 CO 0.65 0.62 0.00 0.54 -0.53 0.00 0.00 176.83 178.11 2jyc n ARG 13 N -4.33 0.00 -3.53 2.24 5.12 -1.26 -4.61 116.66 110.30 2jyc n ARG 13 Ca 0.04 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.58 2jyc n ARG 13 Cb 0.18 -0.14 -0.09 0.00 -1.16 0.00 0.00 32.46 31.26 2jyc n ARG 13 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jyc s ILE 14 N -0.33 5.28 -0.04 0.55 1.01 -1.26 0.32 121.20 126.73 2jyc s ILE 14 Ca 0.00 0.41 0.05 0.00 0.00 0.00 0.00 60.65 61.10 2jyc s ILE 14 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 2jyc s ILE 14 CO 0.00 0.28 -0.18 -0.89 0.00 0.00 0.00 174.94 174.15 2jyc s THR 15 N 1.32 2.75 -0.18 2.92 2.01 0.83 -3.27 115.64 122.02 2jyc s THR 15 Ca 0.12 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 2jyc s THR 15 Cb -0.14 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 2jyc s THR 15 CO 0.07 0.59 0.00 -0.31 -0.69 0.00 0.00 174.62 174.27 2jyc s TYR 16 N -0.66 3.08 -0.06 4.92 2.02 -1.26 0.43 117.35 125.82 2jyc s TYR 16 Ca 0.10 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 2jyc s TYR 16 Cb -0.11 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 2jyc s TYR 16 CO 0.00 -0.07 -0.16 0.08 -1.57 0.00 0.00 175.55 173.83 2jyc s VAL 17 N 0.62 1.41 -0.27 0.71 1.01 0.10 -4.91 120.40 119.07 2jyc s VAL 17 Ca -0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 2jyc s VAL 17 Cb -0.14 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2jyc s VAL 17 CO 0.02 0.41 0.15 -1.59 0.00 0.00 0.00 175.10 174.09 2jyc s LYS 18 N 0.38 3.88 0.00 2.72 -2.85 -1.26 -0.96 119.74 121.65 2jyc s LYS 18 Ca -0.12 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 2jyc s LYS 18 Cb -0.15 -3.54 0.00 0.00 -2.06 0.00 0.00 37.83 32.08 2jyc s LYS 18 CO 0.04 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.75 2jyc n GLY 19 N 4.91 -0.54 3.28 0.59 0.00 -1.24 -4.96 105.19 107.23 2jyc n GLY 19 Ca -0.15 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 3.09 0.43 1.61 2.15 -1.26 -4.74 116.67 113.95 2jyc s ASP 20 Ca 0.00 -0.50 0.23 0.00 0.43 0.00 0.00 52.55 52.71 2jyc s ASP 20 Cb 0.00 -0.80 0.36 0.00 -0.30 0.00 0.00 42.92 42.18 2jyc s ASP 20 CO 0.00 0.25 1.61 0.25 -0.17 0.00 0.00 175.17 177.12 2jyc h LEU 21 N 6.00 0.00 -0.73 -1.34 5.85 -1.95 -2.76 115.31 120.37 2jyc h LEU 21 Ca -0.33 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2jyc h LEU 21 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2jyc h LEU 21 CO 0.47 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 179.06 2jyc n PHE 22 N -3.06 0.05 1.44 1.25 3.72 -1.26 -3.16 117.46 116.44 2jyc n PHE 22 Ca 0.04 -0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.54 2jyc n PHE 22 Cb 0.53 0.00 0.49 0.00 -0.94 0.00 0.00 39.48 39.56 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 -0.10 2.56 -1.78 4.37 0.00 -1.04 -4.79 120.51 119.73 2jyc n ALA 23 Ca 0.19 -0.44 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 2jyc n ALA 23 Cb 0.28 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 2jyc n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jyc s PRO 25 N -2.83 1.57 0.24 0.00 0.04 -1.26 -5.00 135.00 127.75 2jyc s PRO 25 Ca 0.63 -0.48 0.25 0.00 0.04 0.00 0.00 61.00 61.44 2jyc s PRO 25 Cb -0.21 -2.09 0.92 0.00 0.04 0.00 0.00 34.50 33.16 2jyc s PRO 25 CO 0.26 -1.68 1.74 0.36 0.04 0.00 0.00 177.00 177.71 2jyc n LYS 26 N -3.20 0.22 0.12 4.56 -0.00 -1.26 -2.84 118.16 115.76 2jyc n LYS 26 Ca 0.12 0.34 0.13 0.00 -0.00 0.00 0.00 58.31 58.89 2jyc n LYS 26 Cb 0.60 -1.84 0.31 0.00 -0.00 0.00 0.00 35.03 34.10 2jyc n LYS 26 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2jyc h THR 27 N 0.00 0.00 -3.51 0.58 1.35 -1.94 -3.38 112.91 106.00 2jyc h THR 27 Ca 0.00 -0.59 -0.66 0.00 -0.55 0.00 0.00 66.41 64.62 2jyc h THR 27 Cb 0.51 1.50 -0.26 0.00 -1.73 0.00 0.00 68.15 68.17 2jyc h THR 27 CO 0.00 0.00 -0.68 -1.81 -0.25 0.00 0.00 175.52 172.78 2jyc s ASP 28 N -4.80 4.68 0.74 5.36 1.11 -1.13 -4.53 116.67 118.11 2jyc s ASP 28 Ca 0.09 -0.38 -0.11 0.00 0.18 0.00 0.00 52.55 52.33 2jyc s ASP 28 Cb 0.11 -1.82 0.04 0.00 1.07 0.00 0.00 42.92 42.32 2jyc s ASP 28 CO 0.64 -0.05 1.12 -0.44 1.18 0.00 0.00 175.17 177.62 2jyc s SER 29 N 1.52 5.08 -0.01 0.27 0.01 0.33 -4.67 113.70 116.23 2jyc s SER 29 Ca 0.05 0.97 0.07 0.00 1.31 0.00 0.00 55.95 58.36 2jyc s SER 29 Cb -0.15 -1.66 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 2jyc s SER 29 CO -0.00 -1.55 -0.23 -0.22 0.41 0.00 0.00 173.24 171.64 2jyc s LEU 30 N -5.43 2.06 0.02 2.44 0.20 -0.94 0.07 118.68 117.10 2jyc s LEU 30 Ca 0.60 -0.43 0.00 0.00 0.69 0.00 0.00 54.13 54.98 2jyc s LEU 30 Cb -0.11 -1.19 -0.02 0.00 -0.43 0.00 0.00 46.19 44.44 2jyc s LEU 30 CO 0.50 0.28 -0.03 0.00 -0.29 0.00 0.00 176.35 176.81 2jyc s ALA 31 N -0.57 0.14 0.11 5.97 0.00 -0.07 0.18 121.76 127.52 2jyc s ALA 31 Ca 0.09 -0.55 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 2jyc s ALA 31 Cb -0.09 0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.24 2jyc s ALA 31 CO -0.01 -0.14 1.06 -3.38 0.00 0.00 0.00 175.76 173.29 2jyc s HIS 32 N -1.34 -0.08 0.08 0.00 -3.43 0.07 -4.12 115.29 106.48 2jyc s HIS 32 Ca -0.14 -0.19 -0.01 0.00 -0.80 0.00 0.00 55.06 53.91 2jyc s HIS 32 Cb -0.09 0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 31.64 2jyc s HIS 32 CO -0.01 -0.70 0.25 0.00 -2.00 0.00 0.00 174.74 172.29 2jyc s ILE 34 N -1.55 0.00 0.25 0.00 -4.36 0.53 -4.83 121.20 111.24 2jyc s ILE 34 Ca 0.36 -1.73 -0.03 0.00 -0.26 0.00 0.00 60.65 58.99 2jyc s ILE 34 Cb -0.13 -2.42 -0.05 0.00 1.25 0.00 0.00 42.46 41.12 2jyc s ILE 34 CO 0.27 0.00 0.48 -0.94 0.24 0.00 0.00 174.94 174.99 2jyc s SER 35 N -3.14 6.42 0.12 4.36 1.04 -1.26 -2.36 113.70 118.89 2jyc s SER 35 Ca 0.32 0.58 0.20 0.00 0.48 0.00 0.00 55.95 57.53 2jyc s SER 35 Cb 0.03 -2.09 0.82 0.00 0.10 0.00 0.00 66.02 64.88 2jyc s SER 35 CO 0.13 -0.12 1.61 -1.84 0.98 0.00 0.00 173.24 174.00 2jyc n GLU 36 N -0.77 0.09 0.13 4.02 0.28 0.28 -0.92 120.64 123.75 2jyc n GLU 36 Ca -0.03 0.31 0.07 0.00 -0.16 0.00 0.00 57.16 57.35 2jyc n GLU 36 Cb 0.54 -1.67 0.03 0.00 1.43 0.00 0.00 31.44 31.77 2jyc n GLU 36 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2jyc h ASP 37 N 0.00 0.00 -0.44 -1.84 1.82 -1.77 -3.46 116.42 110.74 2jyc h ASP 37 Ca 0.00 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.45 2jyc h ASP 37 Cb 0.34 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.27 2jyc h ASP 37 CO 0.00 0.22 -0.17 0.00 -1.61 0.00 0.00 179.24 177.68 2jyc h ARG 39 N 0.09 0.64 0.00 0.00 -0.00 -1.91 -3.47 114.38 109.74 2jyc h ARG 39 Ca -0.19 -0.51 0.00 0.00 -0.00 0.00 0.00 59.98 59.28 2jyc h ARG 39 Cb 0.97 0.10 0.00 0.00 -0.00 0.00 0.00 29.97 31.04 2jyc h ARG 39 CO 0.28 1.13 0.00 -1.33 -0.00 0.00 0.00 179.97 180.05 2jyc n MET 40 N -4.12 0.00 0.00 0.08 2.81 -1.26 -4.73 117.12 109.90 2jyc n MET 40 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2jyc n MET 40 Cb 0.65 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.16 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 2.97 3.53 3.03 0.00 -1.26 -4.69 105.19 108.77 2jyc n GLY 41 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.18 0.08 0.00 4.61 0.00 -1.26 -4.97 121.76 119.05 2jyc s ALA 42 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2jyc s ALA 42 Cb 0.00 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.24 2jyc s ALA 42 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2jyc n GLY 43 N -0.40 -2.15 0.32 0.00 0.00 -1.26 -4.26 105.19 97.45 2jyc n GLY 43 Ca -0.01 -1.71 0.16 0.00 0.00 0.00 0.00 46.02 44.46 2jyc n GLY 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jyc h ILE 44 N 0.00 0.57 0.00 -0.61 6.09 -2.00 -1.70 117.51 119.86 2jyc h ILE 44 Ca 0.00 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 2jyc h ILE 44 Cb 0.00 0.88 -0.00 0.00 0.47 0.00 0.00 36.82 38.16 2jyc h ILE 44 CO 0.00 0.00 -0.12 0.00 -3.07 0.00 0.00 178.15 174.96 2jyc h ALA 45 N 1.83 1.07 -0.65 0.18 0.00 -1.88 -2.76 119.26 117.05 2jyc h ALA 45 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jyc h ALA 45 Cb 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2jyc h ALA 45 CO -0.00 0.16 0.41 0.28 0.00 0.00 0.00 179.25 180.10 2jyc h VAL 46 N 0.00 1.10 -0.59 0.00 2.07 -1.49 -0.54 116.25 116.80 2jyc h VAL 46 Ca -0.00 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2jyc h VAL 46 Cb 0.55 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2jyc h VAL 46 CO 0.02 0.15 0.34 -0.07 0.02 0.00 0.00 177.57 178.02 2jyc h LEU 47 N 0.81 0.72 -0.95 2.57 -0.00 -1.67 -2.68 115.31 114.11 2jyc h LEU 47 Ca 0.26 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 57.98 2jyc h LEU 47 Cb -0.01 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.45 2jyc h LEU 47 CO -0.09 0.59 -0.14 -0.26 -0.00 0.00 0.00 178.44 178.54 2jyc h PHE 48 N 0.80 0.66 -0.75 1.13 -1.00 -1.39 0.34 116.94 116.73 2jyc h PHE 48 Ca 0.21 -0.11 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 2jyc h PHE 48 Cb 0.01 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.37 2jyc h PHE 48 CO -0.02 0.72 0.27 0.87 -1.61 0.00 0.00 178.31 178.54 2jyc h LYS 49 N 0.55 1.14 0.02 1.51 1.57 -0.93 0.14 116.57 120.57 2jyc h LYS 49 Ca 0.10 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2jyc h LYS 49 Cb 0.56 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2jyc h LYS 49 CO 0.04 0.95 -0.01 0.87 -0.57 0.00 0.00 179.45 180.73 2jyc h LYS 50 N 1.10 -0.02 0.13 3.15 1.57 -1.13 -2.90 116.57 118.47 2jyc h LYS 50 Ca 0.25 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.84 2jyc h LYS 50 Cb 0.26 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.59 2jyc h LYS 50 CO -0.01 0.66 -0.86 0.87 -0.57 0.00 0.00 179.45 179.54 2jyc h LYS 51 N -0.74 0.28 0.00 3.15 1.57 -0.34 -3.37 116.57 117.12 2jyc h LYS 51 Ca -0.00 -0.48 -0.18 0.00 -1.87 0.00 0.00 60.65 58.12 2jyc h LYS 51 Cb 0.69 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 2jyc h LYS 51 CO 0.00 1.23 -1.79 1.19 -0.57 0.00 0.00 179.45 179.51 2jyc n PHE 52 N -4.12 0.52 -4.09 -1.35 3.01 0.37 -4.97 117.46 106.82 2jyc n PHE 52 Ca -0.15 0.17 -0.34 0.00 1.01 0.00 0.00 57.45 58.14 2jyc n PHE 52 Cb 0.82 -0.94 -0.00 0.00 -0.01 0.00 0.00 39.48 39.35 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 -0.47 1.65 1.37 0.00 -0.54 -4.88 105.19 103.77 2jyc n GLY 53 Ca -0.15 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.52 5.55 0.25 -0.02 0.00 -1.26 -4.62 105.19 103.57 2jyc n GLY 54 Ca 0.07 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 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 1.37 1.29 -0.44 1.61 2.07 -1.90 -2.16 116.25 118.08 2jyc h VAL 55 Ca 0.34 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 2jyc h VAL 55 Cb 1.48 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 2jyc h VAL 55 CO 0.72 0.50 0.24 1.56 0.02 0.00 0.00 177.57 180.62 2jyc h GLN 56 N 0.61 0.61 -0.72 1.57 7.50 -1.98 0.64 115.11 123.34 2jyc h GLN 56 Ca 0.06 -0.07 0.06 0.00 0.50 0.00 0.00 58.65 59.20 2jyc h GLN 56 Cb 0.91 -0.12 -0.06 0.00 0.05 0.00 0.00 27.48 28.26 2jyc h GLN 56 CO 0.08 0.48 0.41 0.93 -1.50 0.00 0.00 178.83 179.23 2jyc h GLU 57 N 0.57 0.73 -0.00 1.46 5.08 -1.82 0.40 114.58 121.01 2jyc h GLU 57 Ca 0.15 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2jyc h GLU 57 Cb 0.05 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2jyc h GLU 57 CO -0.03 0.48 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.40 2jyc h LEU 58 N 0.75 0.00 -0.87 1.33 3.38 -1.03 -3.02 115.31 115.85 2jyc h LEU 58 Ca 0.32 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2jyc h LEU 58 Cb 0.19 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2jyc h LEU 58 CO -0.18 0.40 0.14 -0.07 0.09 0.00 0.00 178.44 178.82 2jyc h LEU 59 N -0.40 0.93 -1.89 1.67 3.38 -0.42 -2.12 115.31 116.45 2jyc h LEU 59 Ca 0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2jyc h LEU 59 Cb 0.40 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2jyc h LEU 59 CO 0.00 0.90 -0.12 0.78 0.09 0.00 0.00 178.44 180.09 2jyc h ASN 60 N 0.94 0.00 1.74 -0.43 2.35 -0.25 -1.49 115.58 118.44 2jyc h ASN 60 Ca 0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2jyc h ASN 60 Cb 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 2jyc h ASN 60 CO 0.00 0.12 -0.06 1.56 -1.65 0.00 0.00 177.43 177.40 2jyc h GLN 61 N 0.00 0.00 -6.29 0.81 4.20 -1.26 -3.49 115.11 109.08 2jyc h GLN 61 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 2jyc h GLN 61 Cb 0.33 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.12 2jyc h GLN 61 CO 0.02 0.06 -1.07 1.04 -0.67 0.00 0.00 178.83 178.21 2jyc n GLN 62 N -3.12 -1.70 -4.06 1.46 6.02 -0.56 -5.01 117.38 110.40 2jyc n GLN 62 Ca 0.03 1.44 -0.22 0.00 -0.01 0.00 0.00 57.00 58.23 2jyc n GLN 62 Cb 0.51 -2.42 -0.04 0.00 1.02 0.00 0.00 30.24 29.31 2jyc n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jyc s LYS 63 N -2.12 3.09 0.43 -1.09 -0.14 -1.26 -5.12 119.74 113.53 2jyc s LYS 63 Ca 0.27 -0.93 0.06 0.00 -1.36 0.00 0.00 55.97 54.01 2jyc s LYS 63 Cb -0.03 -2.68 -0.06 0.00 -1.68 0.00 0.00 37.83 33.38 2jyc s LYS 63 CO 0.67 0.43 0.06 0.15 -0.76 0.00 0.00 175.35 175.89 2jyc s LYS 64 N -3.75 2.07 -0.17 1.68 -0.14 -1.26 -4.74 119.74 113.42 2jyc s LYS 64 Ca 0.33 -2.10 -0.32 0.00 -1.36 0.00 0.00 55.97 52.52 2jyc s LYS 64 Cb -0.09 -1.71 -0.09 0.00 -1.68 0.00 0.00 37.83 34.26 2jyc s LYS 64 CO 0.26 -0.13 2.06 -1.13 -0.76 0.00 0.00 175.35 175.65 2jyc n SER 65 N -1.10 3.18 0.00 2.83 3.41 -1.26 -1.25 113.62 119.43 2jyc n SER 65 Ca -0.06 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 2jyc n SER 65 Cb 0.66 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2jyc n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jyc n GLY 66 N 5.30 1.01 3.57 5.00 0.00 0.32 -5.00 105.19 115.38 2jyc n GLY 66 Ca 0.29 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.57 1.94 -0.06 1.61 2.02 -0.38 -3.88 118.70 119.37 2jyc s GLU 67 Ca 0.00 -1.76 0.05 0.00 0.02 0.00 0.00 54.97 53.29 2jyc s GLU 67 Cb 0.00 -1.86 -0.01 0.00 0.10 0.00 0.00 34.13 32.36 2jyc s GLU 67 CO 0.00 0.22 -0.23 0.54 0.02 0.00 0.00 175.26 175.81 2jyc s VAL 68 N -2.51 1.93 -0.15 2.63 0.11 -1.26 -0.67 120.40 120.47 2jyc s VAL 68 Ca 0.32 -0.99 -0.05 0.00 -2.93 0.00 0.00 61.98 58.33 2jyc s VAL 68 Cb -0.02 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 33.16 2jyc s VAL 68 CO 0.18 0.54 0.03 0.00 -3.33 0.00 0.00 175.10 172.52 2jyc s ALA 69 N -0.05 3.33 -0.05 1.54 0.00 0.37 -4.93 121.76 121.98 2jyc s ALA 69 Ca -0.06 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.20 2jyc s ALA 69 Cb -0.14 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2jyc s ALA 69 CO 0.04 0.31 -0.25 0.08 0.00 0.00 0.00 175.76 175.94 2jyc s VAL 70 N -0.00 2.01 0.02 0.00 1.01 -1.26 0.07 120.40 122.25 2jyc s VAL 70 Ca 0.05 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 61.05 2jyc s VAL 70 Cb -0.12 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2jyc s VAL 70 CO 0.01 0.56 -0.22 -0.76 0.00 0.00 0.00 175.10 174.69 2jyc s LEU 71 N -0.23 2.11 -0.31 3.92 1.43 -0.53 -4.93 118.68 120.14 2jyc s LEU 71 Ca -0.01 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.52 2jyc s LEU 71 Cb -0.13 -1.09 -0.00 0.00 0.03 0.00 0.00 46.19 45.00 2jyc s LEU 71 CO 0.03 0.22 0.14 -0.75 0.23 0.00 0.00 176.35 176.22 2jyc s LYS 72 N -0.91 3.23 0.01 1.70 2.20 -1.26 0.48 119.74 125.19 2jyc s LYS 72 Ca 0.09 -0.78 0.02 0.00 -0.36 0.00 0.00 55.97 54.93 2jyc s LYS 72 Cb -0.09 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2jyc s LYS 72 CO 0.01 -0.44 -0.06 0.50 -0.36 0.00 0.00 175.35 175.00 2jyc s ARG 73 N 1.58 0.44 0.00 4.03 3.00 -0.18 -4.91 118.95 122.91 2jyc s ARG 73 Ca 0.04 -0.31 0.00 0.00 -1.00 0.00 0.00 55.73 54.46 2jyc s ARG 73 Cb -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 34.95 34.40 2jyc s ARG 73 CO 0.05 0.10 0.00 -0.25 0.00 0.00 0.00 175.30 175.20 2jyc n ASP 74 N 2.63 0.00 -0.45 -2.12 8.00 -1.26 -0.65 116.55 122.70 2jyc n ASP 74 Ca -0.15 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.34 2jyc n ASP 74 Cb 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.66 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 0.01 3.19 0.44 0.00 -1.26 -5.14 105.19 102.43 2jyc n GLY 75 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2jyc n GLY 75 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jyc s ARG 76 N 0.00 1.01 -0.18 1.61 1.70 0.17 -4.87 118.95 118.39 2jyc s ARG 76 Ca 0.00 -1.48 -0.07 0.00 -0.47 0.00 0.00 55.73 53.71 2jyc s ARG 76 Cb 0.00 -0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.31 2jyc s ARG 76 CO 0.00 -0.19 0.07 0.71 -1.08 0.00 0.00 175.30 174.81 2jyc s TYR 77 N -3.84 3.28 -0.24 5.89 1.51 -1.26 -1.01 117.35 121.68 2jyc s TYR 77 Ca 0.23 0.12 -0.13 0.00 -1.01 0.00 0.00 57.07 56.28 2jyc s TYR 77 Cb 0.07 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 2jyc s TYR 77 CO 0.02 0.21 0.28 0.42 -1.11 0.00 0.00 175.55 175.37 2jyc s ILE 78 N 0.24 5.27 -0.27 2.71 -1.09 0.18 -2.21 121.20 126.03 2jyc s ILE 78 Ca 0.04 0.42 -0.09 0.00 -2.23 0.00 0.00 60.65 58.79 2jyc s ILE 78 Cb -0.12 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 2jyc s ILE 78 CO 0.00 0.27 0.13 -0.31 -1.23 0.00 0.00 174.94 173.80 2jyc s TYR 79 N 1.40 3.15 -0.52 3.97 1.51 0.13 -1.46 117.35 125.53 2jyc s TYR 79 Ca 0.12 -0.25 -0.09 0.00 -1.01 0.00 0.00 57.07 55.85 2jyc s TYR 79 Cb -0.15 -2.31 0.13 0.00 -0.11 0.00 0.00 41.96 39.53 2jyc s TYR 79 CO 0.07 -0.30 0.39 0.71 -1.11 0.00 0.00 175.55 175.31 2jyc s TYR 80 N 1.67 3.46 -0.19 2.71 1.51 0.11 -0.75 117.35 125.87 2jyc s TYR 80 Ca 0.06 -2.01 -0.29 0.00 -1.01 0.00 0.00 57.07 53.82 2jyc s TYR 80 Cb -0.16 -3.48 -0.01 0.00 -0.11 0.00 0.00 41.96 38.20 2jyc s TYR 80 CO 0.07 -0.98 1.25 -0.51 -1.11 0.00 0.00 175.55 174.27 2jyc s LEU 81 N 1.07 4.12 -0.49 -1.29 2.01 0.09 -0.48 118.68 123.72 2jyc s LEU 81 Ca 0.08 1.58 -0.22 0.00 0.01 0.00 0.00 54.13 55.58 2jyc s LEU 81 Cb -0.24 -3.54 0.04 0.00 0.01 0.00 0.00 46.19 42.46 2jyc s LEU 81 CO -0.02 -0.81 0.77 -0.63 1.01 0.00 0.00 176.35 176.67 2jyc s ILE 82 N 3.64 4.66 -0.10 -0.59 -1.09 0.15 -0.35 121.20 127.52 2jyc s ILE 82 Ca 0.54 0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 59.05 2jyc s ILE 82 Cb -0.20 -4.36 -0.01 0.00 -1.58 0.00 0.00 42.46 36.31 2jyc s ILE 82 CO 0.15 -0.83 -0.06 0.71 -1.23 0.00 0.00 174.94 173.68 2jyc h THR 83 N 5.95 0.00 -4.69 2.92 1.35 -1.76 0.92 112.91 117.59 2jyc h THR 83 Ca -0.26 -0.88 -0.43 0.00 -0.55 0.00 0.00 66.41 64.29 2jyc h THR 83 Cb 1.09 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.39 2jyc h THR 83 CO 0.99 0.00 -0.39 -0.54 -0.25 0.00 0.00 175.52 175.32 2jyc s LYS 84 N -1.73 1.84 0.17 4.72 -0.14 -1.26 -4.26 119.74 119.07 2jyc s LYS 84 Ca -0.05 -1.97 -0.10 0.00 -1.36 0.00 0.00 55.97 52.49 2jyc s LYS 84 Cb 0.01 0.36 0.04 0.00 -1.68 0.00 0.00 37.83 36.56 2jyc s LYS 84 CO 0.08 -0.71 1.60 -0.22 -0.76 0.00 0.00 175.35 175.34 2jyc h LYS 85 N 2.11 1.04 -6.62 1.68 3.64 -1.93 0.83 116.57 117.32 2jyc h LYS 85 Ca -0.26 -0.38 -0.68 0.00 -1.27 0.00 0.00 60.65 58.06 2jyc h LYS 85 Cb 1.23 -0.07 -0.22 0.00 -0.41 0.00 0.00 32.23 32.77 2jyc h LYS 85 CO 0.36 1.07 -0.81 1.03 -2.27 0.00 0.00 179.45 178.84 2jyc s ARG 86 N -4.88 1.99 0.33 1.90 1.81 -1.26 -2.89 118.95 115.96 2jyc s ARG 86 Ca -0.12 -1.03 0.26 0.00 -1.72 0.00 0.00 55.73 53.13 2jyc s ARG 86 Cb 0.13 -2.16 1.01 0.00 -0.45 0.00 0.00 34.95 33.48 2jyc s ARG 86 CO 0.86 0.53 1.78 0.00 -0.68 0.00 0.00 175.30 177.79 2jyc h ALA 87 N 4.40 1.00 -0.29 2.13 0.00 -1.84 -1.21 119.26 123.45 2jyc h ALA 87 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jyc h ALA 87 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jyc h ALA 87 CO 0.47 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.15 2jyc n SER 88 N -2.51 1.73 -4.95 0.00 7.64 -1.26 -4.87 113.62 109.40 2jyc n SER 88 Ca 0.02 -1.92 -0.23 0.00 1.01 0.00 0.00 58.87 57.75 2jyc n SER 88 Cb 0.30 -0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.61 3.42 0.01 1.43 3.76 -0.46 -5.07 115.29 116.76 2jyc s HIS 89 Ca 0.25 0.29 -0.25 0.00 -0.15 0.00 0.00 55.06 55.20 2jyc s HIS 89 Cb 0.13 -1.98 -0.05 0.00 1.11 0.00 0.00 32.58 31.79 2jyc s HIS 89 CO 0.18 0.02 0.76 -1.59 -0.85 0.00 0.00 174.74 173.26 2jyc s LYS 90 N -4.36 4.48 0.24 1.40 -2.85 -1.26 -4.95 119.74 112.44 2jyc s LYS 90 Ca 0.42 1.04 -0.23 0.00 -1.00 0.00 0.00 55.97 56.20 2jyc s LYS 90 Cb -0.10 -3.39 -0.09 0.00 -2.06 0.00 0.00 37.83 32.20 2jyc s LYS 90 CO 0.36 0.21 0.80 -1.25 0.10 0.00 0.00 175.35 175.57 2jyc s PRO 91 N 0.23 4.42 0.30 1.78 0.04 -1.26 -4.87 135.00 135.64 2jyc s PRO 91 Ca 0.39 1.07 0.08 0.00 0.04 0.00 0.00 61.00 62.58 2jyc s PRO 91 Cb -0.20 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 2jyc s PRO 91 CO 0.22 0.39 0.18 0.95 0.04 0.00 0.00 177.00 178.78 2jyc s THR 92 N -1.48 3.64 0.34 1.26 -4.23 -1.26 -4.97 115.64 108.93 2jyc s THR 92 Ca 0.44 -1.55 0.11 0.00 -1.18 0.00 0.00 61.69 59.52 2jyc s THR 92 Cb -0.18 -3.14 0.06 0.00 1.34 0.00 0.00 72.50 70.58 2jyc s THR 92 CO 0.23 -0.26 1.76 1.88 -0.54 0.00 0.00 174.62 177.70 2jyc h TYR 93 N 1.49 0.04 -0.26 3.99 -1.99 -1.98 0.22 116.97 118.48 2jyc h TYR 93 Ca -0.45 -0.01 -0.18 0.00 2.00 0.00 0.00 58.73 60.08 2jyc h TYR 93 Cb 1.25 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.97 2jyc h TYR 93 CO 0.59 0.46 -0.56 0.93 -0.00 0.00 0.00 178.16 179.57 2jyc h GLU 94 N 0.03 0.81 0.09 4.88 5.08 -1.98 -0.59 114.58 122.90 2jyc h GLU 94 Ca -0.00 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2jyc h GLU 94 Cb 0.77 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2jyc h GLU 94 CO 0.06 1.15 -0.04 -0.97 -1.00 0.00 0.00 179.01 178.21 2jyc h ASN 95 N 0.62 -0.10 -0.21 1.42 -0.00 -1.87 0.15 115.58 115.59 2jyc h ASN 95 Ca 0.01 -0.01 0.02 0.00 -0.00 0.00 0.00 56.30 56.32 2jyc h ASN 95 Cb 1.16 0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 39.48 2jyc h ASN 95 CO 0.12 -0.06 0.06 0.25 -0.00 0.00 0.00 177.43 177.80 2jyc h LEU 96 N -0.14 0.06 -0.52 0.34 5.85 -0.54 -2.19 115.31 118.16 2jyc h LEU 96 Ca -0.01 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2jyc h LEU 96 Cb 0.11 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2jyc h LEU 96 CO 0.02 0.06 0.19 -0.61 -0.34 0.00 0.00 178.44 177.76 2jyc h GLN 97 N 0.16 0.36 -0.97 1.25 4.15 -0.74 -0.19 115.11 119.13 2jyc h GLN 97 Ca 0.09 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.55 2jyc h GLN 97 Cb 0.07 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 27.62 2jyc h GLN 97 CO -0.11 0.24 0.62 0.87 -1.93 0.00 0.00 178.83 178.53 2jyc h LYS 98 N 0.37 1.12 -0.07 1.69 1.79 -0.27 -0.92 116.57 120.29 2jyc h LYS 98 Ca 0.25 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.57 2jyc h LYS 98 Cb 0.28 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2jyc h LYS 98 CO -0.25 0.74 -0.31 0.66 -1.08 0.00 0.00 179.45 179.20 2jyc h SER 99 N 1.15 0.39 -0.73 0.86 4.64 -0.73 -2.89 113.55 116.24 2jyc h SER 99 Ca 0.41 -0.65 0.02 0.00 -0.47 0.00 0.00 61.79 61.10 2jyc h SER 99 Cb 0.12 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2jyc h SER 99 CO -0.16 0.98 0.47 -0.07 -0.87 0.00 0.00 176.83 177.17 2jyc h LEU 100 N -0.17 0.78 -0.11 5.97 -0.00 -0.82 -0.46 115.31 120.50 2jyc h LEU 100 Ca -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2jyc h LEU 100 Cb 0.97 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2jyc h LEU 100 CO 0.07 0.54 0.02 -0.33 -0.00 0.00 0.00 178.44 178.74 2jyc h GLU 101 N 0.92 0.18 -0.88 1.13 5.08 -1.26 -0.87 114.58 118.88 2jyc h GLU 101 Ca 0.29 -0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.72 2jyc h GLU 101 Cb -0.02 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.13 2jyc h GLU 101 CO -0.10 0.37 0.50 0.00 -1.00 0.00 0.00 179.01 178.79 2jyc h ALA 102 N 0.80 1.32 -0.36 3.43 0.00 -1.28 0.22 119.26 123.38 2jyc h ALA 102 Ca 0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jyc h ALA 102 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2jyc h ALA 102 CO 0.00 0.05 0.13 1.98 0.00 0.00 0.00 179.25 181.42 2jyc h MET 103 N 0.78 0.55 -0.01 0.00 1.85 -0.78 -2.77 114.93 114.54 2jyc h MET 103 Ca 0.45 -0.11 -0.15 0.00 -0.61 0.00 0.00 59.70 59.28 2jyc h MET 103 Cb 0.53 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.45 2jyc h MET 103 CO -0.30 0.55 -0.71 1.57 -0.40 0.00 0.00 176.91 177.62 2jyc h LYS 104 N 0.44 0.05 0.00 0.39 5.09 -0.01 -2.76 116.57 119.77 2jyc h LYS 104 Ca 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 60.65 60.80 2jyc h LYS 104 Cb 0.21 0.01 -0.00 0.00 0.10 0.00 0.00 32.23 32.55 2jyc h LYS 104 CO -0.01 0.74 -0.11 0.77 -2.09 0.00 0.00 179.45 178.75 2jyc h SER 105 N 0.03 0.00 0.14 7.07 0.02 -0.53 -2.48 113.55 117.80 2jyc h SER 105 Ca -0.01 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.71 2jyc h SER 105 Cb 1.25 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.80 2jyc h SER 105 CO 0.10 0.11 -0.92 -0.74 -1.14 0.00 0.00 176.83 174.23 2jyc h HIS 106 N 0.00 0.82 -0.17 3.45 -0.00 -1.21 -3.25 115.15 114.78 2jyc h HIS 106 Ca -0.00 -0.42 -0.02 0.00 -0.00 0.00 0.00 60.37 59.93 2jyc h HIS 106 Cb 0.19 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 2jyc h HIS 106 CO 0.00 1.24 0.01 0.00 -0.00 0.00 0.00 177.93 179.18 2jyc h LEU 108 N 0.25 0.53 -0.08 0.00 3.38 -1.57 0.37 115.31 118.18 2jyc h LEU 108 Ca 0.06 0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.82 2jyc h LEU 108 Cb 0.16 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.85 2jyc h LEU 108 CO 0.00 0.34 -1.04 0.11 0.09 0.00 0.00 178.44 177.94 2jyc h LYS 109 N 0.66 0.40 0.00 1.13 1.57 -1.34 -3.33 116.57 115.66 2jyc h LYS 109 Ca 0.30 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2jyc h LYS 109 Cb 0.21 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2jyc h LYS 109 CO -0.19 1.16 -0.97 0.09 -0.57 0.00 0.00 179.45 178.96 2jyc n ASN 110 N -3.70 0.76 -2.40 0.86 5.03 -0.79 -5.00 115.26 110.03 2jyc n ASN 110 Ca -0.08 -0.65 -0.05 0.00 0.87 0.00 0.00 54.58 54.67 2jyc n ASN 110 Cb 0.89 0.89 0.02 0.00 -1.02 0.00 0.00 39.78 40.56 2jyc n ASN 110 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jyc n GLY 111 N 1.46 -0.43 3.25 7.41 0.00 0.13 -5.05 105.19 111.96 2jyc n GLY 111 Ca 0.03 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.13 1.89 0.00 1.61 1.01 -0.98 -5.01 120.40 115.79 2jyc s VAL 112 Ca 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2jyc s VAL 112 Cb -0.02 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2jyc s VAL 112 CO 0.40 0.53 0.60 0.35 0.00 0.00 0.00 175.10 176.98 2jyc n THR 113 N 2.76 0.27 -3.77 3.92 -2.24 -1.26 -4.49 114.28 109.48 2jyc n THR 113 Ca -0.17 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.18 2jyc n THR 113 Cb 0.52 0.94 -0.16 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.27 0.04 -0.00 3.42 1.11 -1.26 0.31 116.67 120.03 2jyc s ASP 114 Ca 0.00 0.08 0.00 0.00 0.18 0.00 0.00 52.55 52.81 2jyc s ASP 114 Cb 0.00 -0.03 0.00 0.00 1.07 0.00 0.00 42.92 43.96 2jyc s ASP 114 CO 0.00 -0.13 0.00 -0.76 1.18 0.00 0.00 175.17 175.46 2jyc s LEU 115 N 1.09 1.86 -0.09 1.23 1.43 -0.34 -0.52 118.68 123.34 2jyc s LEU 115 Ca -0.09 -0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2jyc s LEU 115 Cb -0.13 -0.03 -0.00 0.00 0.03 0.00 0.00 46.19 46.06 2jyc s LEU 115 CO -0.03 -0.02 -0.24 -0.44 0.23 0.00 0.00 176.35 175.85 2jyc s SER 116 N 0.16 3.09 0.03 2.29 0.01 0.11 -0.01 113.70 119.38 2jyc s SER 116 Ca -0.01 -0.55 -0.04 0.00 1.31 0.00 0.00 55.95 56.66 2jyc s SER 116 Cb -0.02 -1.25 -0.01 0.00 0.21 0.00 0.00 66.02 64.95 2jyc s SER 116 CO -0.00 0.18 0.07 0.00 0.41 0.00 0.00 173.24 173.90 2jyc s MET 117 N 0.19 0.53 0.63 12.44 0.23 0.80 -0.89 119.30 133.22 2jyc s MET 117 Ca -0.15 -0.72 -0.09 0.00 -1.03 0.00 0.00 55.69 53.71 2jyc s MET 117 Cb -0.17 0.20 -0.01 0.00 -1.53 0.00 0.00 34.83 33.33 2jyc s MET 117 CO 0.07 -0.12 0.99 -1.25 -2.03 0.00 0.00 175.02 172.68 2jyc s PRO 118 N -2.33 3.13 -0.78 3.16 0.04 -1.26 0.11 135.00 137.06 2jyc s PRO 118 Ca -0.07 0.36 -0.23 0.00 0.04 0.00 0.00 61.00 61.10 2jyc s PRO 118 Cb -0.03 -2.15 -0.17 0.00 0.04 0.00 0.00 34.50 32.19 2jyc s PRO 118 CO -0.03 -0.73 2.40 -2.13 0.04 0.00 0.00 177.00 176.54 2jyc n ARG 119 N -2.74 0.50 0.21 4.56 0.63 -0.50 -4.69 116.66 114.63 2jyc n ARG 119 Ca 0.05 -0.39 0.13 0.00 -0.92 0.00 0.00 57.85 56.72 2jyc n ARG 119 Cb 0.56 -2.87 0.25 0.00 0.45 0.00 0.00 32.46 30.86 2jyc n ARG 119 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 2jyc h ILE 120 N 7.59 0.00 -3.14 5.15 3.07 -1.91 -3.36 117.51 124.92 2jyc h ILE 120 Ca -0.06 -0.88 -0.70 0.00 1.55 0.00 0.00 64.86 64.78 2jyc h ILE 120 Cb 1.13 1.88 -0.36 0.00 -0.27 0.00 0.00 36.82 39.19 2jyc h ILE 120 CO 1.21 0.00 -0.08 0.61 -1.05 0.00 0.00 178.15 178.83 2jyc n GLY 121 N 1.01 4.29 0.10 0.16 0.00 -1.26 -4.74 105.19 104.75 2jyc n GLY 121 Ca 0.04 -2.62 -0.02 0.00 0.00 0.00 0.00 46.02 43.41 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 1.30 -0.74 1.54 0.00 0.00 -1.26 -4.84 105.19 101.20 2jyc n GLY 123 Ca -0.00 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.76 2jyc n GLY 123 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jyc n LEU 124 N 0.00 -2.80 0.00 0.99 0.00 -1.26 -4.98 117.00 108.95 2jyc n LEU 124 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 56.01 56.75 2jyc n LEU 124 Cb 0.00 2.75 0.00 0.00 0.00 0.00 0.00 43.42 46.17 2jyc n LEU 124 CO 0.00 0.18 0.00 -0.90 0.00 0.00 0.00 177.39 176.67 2jyc n ASP 125 N -3.23 0.00 -0.01 1.96 5.75 -1.26 -4.96 116.55 114.80 2jyc n ASP 125 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.92 2jyc n ASP 125 Cb 0.00 0.00 0.68 0.00 -1.03 0.00 0.00 41.12 40.77 2jyc n ASP 125 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2jyc n ARG 126 N 0.00 0.25 0.00 0.11 0.63 -1.26 -4.60 116.66 111.79 2jyc n ARG 126 Ca 0.00 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2jyc n ARG 126 Cb 0.00 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.41 2jyc n ARG 126 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jyc n LEU 127 N -1.37 0.06 -0.89 6.15 4.77 -1.26 -5.06 117.00 119.40 2jyc n LEU 127 Ca 0.11 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2jyc n LEU 127 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2jyc n LEU 127 CO 0.25 0.00 -0.17 1.67 -1.33 0.00 0.00 177.39 177.81 2jyc n GLN 128 N -0.21 -1.96 -0.34 3.23 7.27 -1.26 -4.41 117.38 119.70 2jyc n GLN 128 Ca 0.00 1.58 0.20 0.00 0.07 0.00 0.00 57.00 58.85 2jyc n GLN 128 Cb 0.00 -1.52 0.44 0.00 2.41 0.00 0.00 30.24 31.57 2jyc n GLN 128 CO 0.00 0.00 0.00 2.35 0.07 0.00 0.00 177.06 179.48 2jyc h TRP 129 N 1.35 0.90 -0.51 3.69 2.91 -1.89 0.10 115.95 122.51 2jyc h TRP 129 Ca 0.00 0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.15 2jyc h TRP 129 Cb 0.00 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.37 2jyc h TRP 129 CO 0.00 0.02 0.35 0.93 -1.03 0.00 0.00 178.44 178.71 2jyc h GLU 130 N 0.49 0.28 0.15 2.65 5.08 -1.92 0.45 114.58 121.76 2jyc h GLU 130 Ca 0.65 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.69 2jyc h GLU 130 Cb 1.40 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 30.62 2jyc h GLU 130 CO -0.45 0.18 -1.30 -0.91 -1.00 0.00 0.00 179.01 175.53 2jyc h ASN 131 N 0.29 0.84 -0.30 1.42 2.35 -1.00 -3.21 115.58 115.96 2jyc h ASN 131 Ca 0.23 -0.81 0.04 0.00 -0.55 0.00 0.00 56.30 55.22 2jyc h ASN 131 Cb 0.55 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 2jyc h ASN 131 CO -0.05 1.61 0.08 0.58 -1.65 0.00 0.00 177.43 178.00 2jyc h VAL 132 N 0.23 0.88 -0.57 2.81 2.07 -0.88 -2.82 116.25 117.97 2jyc h VAL 132 Ca -0.20 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.34 2jyc h VAL 132 Cb 1.98 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 2jyc h VAL 132 CO 0.25 0.04 0.18 -1.28 0.02 0.00 0.00 177.57 176.77 2jyc h SER 133 N 0.20 0.14 -0.06 0.57 0.87 -0.27 -2.45 113.55 112.54 2jyc h SER 133 Ca 0.14 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 2jyc h SER 133 Cb 0.14 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2jyc h SER 133 CO -0.17 0.09 -0.03 0.00 -0.53 0.00 0.00 176.83 176.19 2jyc h ALA 134 N 1.41 0.02 -0.61 6.23 0.00 -1.50 -1.22 119.26 123.60 2jyc h ALA 134 Ca 0.29 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.30 2jyc h ALA 134 Cb 0.37 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2jyc h ALA 134 CO -0.32 -0.51 0.29 1.98 0.00 0.00 0.00 179.25 180.69 2jyc h MET 135 N -0.03 0.51 -0.79 0.00 -1.53 -1.42 0.13 114.93 111.81 2jyc h MET 135 Ca 0.03 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 2jyc h MET 135 Cb 0.08 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 30.97 2jyc h MET 135 CO -0.07 0.34 0.45 0.82 0.14 0.00 0.00 176.91 178.58 2jyc h ILE 136 N 0.52 1.23 -0.08 1.77 2.04 -0.98 0.25 117.51 122.27 2jyc h ILE 136 Ca 0.29 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 2jyc h ILE 136 Cb 0.27 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2jyc h ILE 136 CO -0.23 0.25 -0.38 -0.33 0.00 0.00 0.00 178.15 177.46 2jyc h GLU 137 N 1.09 0.17 0.04 2.37 5.08 -0.14 -1.52 114.58 121.66 2jyc h GLU 137 Ca 0.28 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2jyc h GLU 137 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jyc h GLU 137 CO -0.05 0.53 -0.02 0.93 -1.00 0.00 0.00 179.01 179.40 2jyc h GLU 138 N 0.14 -0.05 -0.26 2.33 5.08 0.22 -2.94 114.58 119.09 2jyc h GLU 138 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2jyc h GLU 138 Cb 0.74 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2jyc h GLU 138 CO 0.06 0.60 0.00 0.28 -1.00 0.00 0.00 179.01 178.95 2jyc h VAL 139 N -0.81 1.26 0.00 3.13 2.07 -0.55 -2.88 116.25 118.46 2jyc h VAL 139 Ca -0.01 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2jyc h VAL 139 Cb 0.68 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2jyc h VAL 139 CO 0.01 0.29 0.00 -0.26 0.02 0.00 0.00 177.57 177.63 2jyc h PHE 140 N 0.25 0.00 -0.26 1.57 0.04 -1.43 -3.18 116.94 113.92 2jyc h PHE 140 Ca 0.08 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.92 2jyc h PHE 140 Cb 0.42 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 2jyc h PHE 140 CO 0.03 0.00 0.25 1.49 -0.60 0.00 0.00 178.31 179.49 2jyc h GLU 141 N 0.00 0.00 -0.23 1.51 4.81 -1.31 0.23 114.58 119.58 2jyc h GLU 141 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jyc h GLU 141 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2jyc h GLU 141 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 2jyc n ALA 142 N -2.41 2.49 -3.34 2.92 0.00 -1.20 -4.90 120.51 114.08 2jyc n ALA 142 Ca 0.04 -0.59 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 2jyc n ALA 142 Cb 0.40 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 2jyc n ALA 142 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jyc n THR 143 N 0.48 0.00 -0.21 0.00 -2.24 0.79 -5.08 114.28 108.01 2jyc n THR 143 Ca 0.16 -0.34 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2jyc n THR 143 Cb 0.35 0.15 0.07 0.00 -2.10 0.00 0.00 70.33 68.80 2jyc n THR 143 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jyc n ASP 144 N -2.50 2.37 -4.70 3.42 8.00 -1.26 -4.97 116.55 116.91 2jyc n ASP 144 Ca 0.00 -2.17 -0.42 0.00 0.71 0.00 0.00 54.79 52.91 2jyc n ASP 144 Cb 0.09 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 2jyc n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jyc s ILE 145 N -1.29 3.52 0.00 0.53 1.01 -1.26 -4.71 121.20 119.00 2jyc s ILE 145 Ca 0.12 0.99 -0.20 0.00 0.00 0.00 0.00 60.65 61.56 2jyc s ILE 145 Cb 0.08 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.86 2jyc s ILE 145 CO 0.05 0.03 0.58 -0.54 0.00 0.00 0.00 174.94 175.05 2jyc s LYS 146 N 1.93 4.28 -0.25 2.79 -0.14 0.15 -4.87 119.74 123.64 2jyc s LYS 146 Ca 0.65 0.71 -0.06 0.00 -1.36 0.00 0.00 55.97 55.90 2jyc s LYS 146 Cb -0.34 -3.32 -0.02 0.00 -1.68 0.00 0.00 37.83 32.47 2jyc s LYS 146 CO 0.28 0.42 0.04 0.42 -0.76 0.00 0.00 175.35 175.75 2jyc s ILE 147 N -0.34 4.01 -0.31 2.17 -1.09 0.15 -1.20 121.20 124.59 2jyc s ILE 147 Ca 0.30 -0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.34 2jyc s ILE 147 Cb -0.18 -2.90 0.04 0.00 -1.58 0.00 0.00 42.46 37.84 2jyc s ILE 147 CO 0.17 0.32 0.05 -0.89 -1.23 0.00 0.00 174.94 173.35 2jyc s THR 148 N 1.56 3.40 -0.26 2.92 2.01 0.99 -0.12 115.64 126.14 2jyc s THR 148 Ca 0.06 -1.20 -0.10 0.00 0.31 0.00 0.00 61.69 60.76 2jyc s THR 148 Cb -0.15 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 2jyc s THR 148 CO 0.02 -0.10 0.15 -0.69 -0.69 0.00 0.00 174.62 173.31 2jyc s VAL 149 N 1.34 5.12 -0.17 3.82 1.01 0.17 -0.14 120.40 131.55 2jyc s VAL 149 Ca -0.03 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 2jyc s VAL 149 Cb -0.19 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2jyc s VAL 149 CO 0.01 0.30 0.29 -0.31 0.00 0.00 0.00 175.10 175.39 2jyc s TYR 150 N 1.46 3.44 -0.26 5.22 1.51 0.12 0.00 117.35 128.84 2jyc s TYR 150 Ca 0.07 0.57 -0.18 0.00 -1.01 0.00 0.00 57.07 56.52 2jyc s TYR 150 Cb -0.15 -2.36 -0.03 0.00 -0.11 0.00 0.00 41.96 39.32 2jyc s TYR 150 CO 0.07 0.20 0.51 0.95 -1.11 0.00 0.00 175.55 176.17 2jyc s THR 151 N 0.61 5.07 -1.22 -0.71 -4.23 -0.13 -1.41 115.64 113.62 2jyc s THR 151 Ca 0.16 0.88 0.10 0.00 -1.18 0.00 0.00 61.69 61.65 2jyc s THR 151 Cb -0.13 -3.83 0.08 0.00 1.34 0.00 0.00 72.50 69.96 2jyc s THR 151 CO 0.04 0.09 0.81 -0.11 -0.54 0.00 0.00 174.62 174.91