#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekd h SER 3 N 0.00 -0.46 -0.73 0.53 4.64 -1.85 -0.76 113.55 114.92 2ekd h SER 3 Ca 0.00 0.28 0.14 0.00 -0.47 0.00 0.00 61.79 61.75 2ekd h SER 3 Cb 0.00 0.49 -0.14 0.00 -0.31 0.00 0.00 62.40 62.44 2ekd h SER 3 CO 0.00 -0.37 -0.21 -0.08 -0.87 0.00 0.00 176.83 175.30 2ekd h GLU 4 N 0.00 -0.02 -0.35 4.77 4.81 -1.98 0.17 114.58 121.99 2ekd h GLU 4 Ca 0.62 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.74 2ekd h GLU 4 Cb 1.29 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 2ekd h GLU 4 CO -0.93 -0.02 -0.20 0.87 -0.73 0.00 0.00 179.01 178.01 2ekd h LYS 5 N -0.02 0.75 -0.21 1.92 6.56 -1.59 -3.06 116.57 120.92 2ekd h LYS 5 Ca 0.34 -0.34 0.04 0.00 -1.06 0.00 0.00 60.65 59.63 2ekd h LYS 5 Cb 0.55 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.16 2ekd h LYS 5 CO -0.76 0.96 -0.03 0.35 -2.06 0.00 0.00 179.45 177.91 2ekd h PHE 6 N 0.54 -0.07 0.00 -1.35 3.57 -0.90 -1.59 116.94 117.13 2ekd h PHE 6 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2ekd h PHE 6 Cb 0.75 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 2ekd h PHE 6 CO 0.06 -0.07 -0.03 0.74 -2.23 0.00 0.00 178.31 176.78 2ekd h PHE 7 N 0.02 0.00 0.00 0.41 0.04 -0.75 -1.33 116.94 115.33 2ekd h PHE 7 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2ekd h PHE 7 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2ekd h PHE 7 CO -0.21 0.03 0.00 1.63 -0.60 0.00 0.00 178.31 179.16 2ekd n LYS 8 N -3.44 0.14 0.27 1.51 4.76 -0.60 -1.34 118.16 119.46 2ekd n LYS 8 Ca -0.02 0.41 0.17 0.00 -2.87 0.00 0.00 58.31 56.00 2ekd n LYS 8 Cb 0.14 -1.79 0.65 0.00 -1.84 0.00 0.00 35.03 32.20 2ekd n LYS 8 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2ekd h LEU 9 N 0.00 0.00 -9.30 -0.35 3.38 -1.28 -3.45 115.31 104.31 2ekd h LEU 9 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 2ekd h LEU 9 Cb 0.29 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.91 2ekd h LEU 9 CO 0.00 0.00 -0.73 -0.36 0.09 0.00 0.00 178.44 177.44 2ekd s PHE 10 N -3.63 2.41 0.19 1.13 0.08 -0.45 -4.88 117.98 112.84 2ekd s PHE 10 Ca 0.02 -0.30 0.11 0.00 0.12 0.00 0.00 56.93 56.88 2ekd s PHE 10 Cb 0.09 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 2ekd s PHE 10 CO 0.54 0.68 -0.24 -0.98 -0.10 0.00 0.00 175.22 175.12 2ekd s ARG 11 N -3.49 1.52 0.33 0.44 1.70 -1.26 -4.98 118.95 113.20 2ekd s ARG 11 Ca 0.30 -1.53 -0.27 0.00 -0.47 0.00 0.00 55.73 53.76 2ekd s ARG 11 Cb -0.06 -1.85 -0.13 0.00 -0.57 0.00 0.00 34.95 32.35 2ekd s ARG 11 CO 0.16 0.40 1.02 1.33 -1.08 0.00 0.00 175.30 177.13 2ekd n VAL 12 N 0.26 2.07 0.00 4.99 0.24 -1.26 -1.99 118.33 122.64 2ekd n VAL 12 Ca -0.12 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 2ekd n VAL 12 Cb 0.56 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 2ekd n VAL 12 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ekd n GLY 13 N 1.18 1.26 3.80 7.63 0.00 0.03 -4.76 105.19 114.33 2ekd n GLY 13 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2ekd n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ekd s GLU 14 N -0.73 3.59 -0.22 1.61 2.02 -0.84 0.37 118.70 124.50 2ekd s GLU 14 Ca 0.00 1.29 0.02 0.00 0.02 0.00 0.00 54.97 56.30 2ekd s GLU 14 Cb 0.00 -2.07 0.04 0.00 0.10 0.00 0.00 34.13 32.20 2ekd s GLU 14 CO 0.00 -0.60 -0.15 0.99 0.02 0.00 0.00 175.26 175.52 2ekd s THR 15 N -2.20 2.15 -0.22 3.63 2.01 -1.26 -2.06 115.64 117.69 2ekd s THR 15 Ca 0.66 -1.26 -0.06 0.00 0.31 0.00 0.00 61.69 61.33 2ekd s THR 15 Cb -0.16 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2ekd s THR 15 CO 0.28 0.26 0.03 -0.69 -0.69 0.00 0.00 174.62 173.81 2ekd s VAL 16 N 1.21 4.15 -0.18 3.82 1.01 0.87 -1.26 120.40 130.01 2ekd s VAL 16 Ca -0.02 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 2ekd s VAL 16 Cb -0.16 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 2ekd s VAL 16 CO -0.09 0.39 0.59 -0.22 0.00 0.00 0.00 175.10 175.78 2ekd s LEU 17 N 1.23 4.17 -0.43 3.92 2.96 0.08 -0.19 118.68 130.42 2ekd s LEU 17 Ca 0.04 0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 54.71 2ekd s LEU 17 Cb -0.15 -2.84 0.11 0.00 0.50 0.00 0.00 46.19 43.81 2ekd s LEU 17 CO 0.02 -0.21 0.25 -0.69 -1.32 0.00 0.00 176.35 174.40 2ekd s VAL 18 N 1.64 3.73 -0.04 1.68 1.01 0.11 -0.15 120.40 128.38 2ekd s VAL 18 Ca 0.28 -1.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.21 2ekd s VAL 18 Cb -0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2ekd s VAL 18 CO 0.11 -0.66 0.61 -1.61 0.00 0.00 0.00 175.10 173.55 2ekd s GLU 19 N 1.26 4.37 0.33 2.72 2.02 0.38 -0.60 118.70 129.19 2ekd s GLU 19 Ca 0.06 0.74 0.02 0.00 0.02 0.00 0.00 54.97 55.81 2ekd s GLU 19 Cb -0.24 -3.40 -0.01 0.00 0.10 0.00 0.00 34.13 30.58 2ekd s GLU 19 CO -0.02 0.22 0.37 1.52 0.02 0.00 0.00 175.26 177.38 2ekd s TYR 20 N 0.30 1.35 0.29 1.61 -0.85 -0.46 -1.26 117.35 118.34 2ekd s TYR 20 Ca 0.33 -1.45 0.02 0.00 -0.52 0.00 0.00 57.07 55.45 2ekd s TYR 20 Cb -0.18 -0.37 -0.05 0.00 0.38 0.00 0.00 41.96 41.75 2ekd s TYR 20 CO 0.16 -1.00 0.10 -1.54 -1.52 0.00 0.00 175.55 171.76 2ekd s SER 21 N -3.29 1.64 0.57 -0.18 1.04 -1.26 -1.45 113.70 110.76 2ekd s SER 21 Ca 0.35 -1.44 0.26 0.00 0.48 0.00 0.00 55.95 55.60 2ekd s SER 21 Cb 0.01 0.19 1.56 0.00 0.10 0.00 0.00 66.02 67.88 2ekd s SER 21 CO 0.23 -0.75 2.10 1.23 0.98 0.00 0.00 173.24 177.02 2ekd h GLY 22 N 2.24 0.00 -1.50 7.32 0.00 -2.00 -0.78 103.07 108.36 2ekd h GLY 22 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2ekd h GLY 22 CO 0.61 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.85 2ekd n THR 23 N -4.02 0.28 0.12 4.70 -2.24 -1.26 -4.30 114.28 107.56 2ekd n THR 23 Ca 0.02 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.28 2ekd n THR 23 Cb 0.32 0.75 0.10 0.00 -2.10 0.00 0.00 70.33 69.40 2ekd n THR 23 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2ekd h SER 24 N 3.40 0.00 -5.52 3.42 0.02 -1.52 -3.48 113.55 109.88 2ekd h SER 24 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2ekd h SER 24 Cb 0.74 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.44 2ekd h SER 24 CO 0.00 0.67 -0.71 0.54 -1.14 0.00 0.00 176.83 176.19 2ekd n ARG 25 N -3.54 -6.67 0.28 3.45 1.74 -1.26 -4.85 116.66 105.80 2ekd n ARG 25 Ca -0.00 0.80 0.18 0.00 -0.77 0.00 0.00 57.85 58.06 2ekd n ARG 25 Cb 0.71 -5.72 0.88 0.00 -1.02 0.00 0.00 32.46 27.32 2ekd n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ekd h ALA 26 N 0.89 1.47 -0.30 7.54 0.00 -1.92 -1.53 119.26 125.40 2ekd h ALA 26 Ca -0.56 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.40 2ekd h ALA 26 Cb 1.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2ekd h ALA 26 CO 0.49 -0.31 0.21 1.05 0.00 0.00 0.00 179.25 180.69 2ekd h GLU 27 N 0.00 0.18 -0.82 0.00 9.09 -1.92 -1.59 114.58 119.52 2ekd h GLU 27 Ca 0.04 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.42 2ekd h GLU 27 Cb 0.57 -0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 27.59 2ekd h GLU 27 CO -0.00 0.12 0.43 -0.07 0.05 0.00 0.00 179.01 179.54 2ekd h LEU 28 N 0.19 1.03 -0.62 3.06 3.38 -1.63 0.12 115.31 120.84 2ekd h LEU 28 Ca 0.13 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 2ekd h LEU 28 Cb 0.29 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2ekd h LEU 28 CO -0.02 0.85 -0.56 0.25 0.09 0.00 0.00 178.44 179.05 2ekd h LEU 29 N 1.15 0.43 -0.20 1.67 5.85 -1.49 -1.74 115.31 120.98 2ekd h LEU 29 Ca 0.29 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2ekd h LEU 29 Cb 0.06 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2ekd h LEU 29 CO -0.04 0.90 0.01 0.25 -0.34 0.00 0.00 178.44 179.21 2ekd h LEU 30 N 0.30 0.35 -0.68 2.25 5.85 -0.91 -1.47 115.31 121.00 2ekd h LEU 30 Ca 0.00 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.46 2ekd h LEU 30 Cb 1.07 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 2ekd h LEU 30 CO 0.09 0.56 0.40 0.22 -0.34 0.00 0.00 178.44 179.38 2ekd h TYR 31 N 0.12 0.75 -0.77 1.25 3.20 -0.66 -0.90 116.97 119.96 2ekd h TYR 31 Ca 0.06 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.99 2ekd h TYR 31 Cb 0.38 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 2ekd h TYR 31 CO 0.03 0.40 0.48 -0.92 -1.64 0.00 0.00 178.16 176.51 2ekd h TYR 32 N 0.77 0.89 -0.37 -3.82 3.20 -1.10 0.16 116.97 116.71 2ekd h TYR 32 Ca 0.29 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.04 2ekd h TYR 32 Cb 0.10 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2ekd h TYR 32 CO -0.06 0.49 -0.33 0.82 -1.64 0.00 0.00 178.16 177.44 2ekd h ILE 33 N 0.91 1.28 0.06 1.81 2.04 -0.46 -2.52 117.51 120.64 2ekd h ILE 33 Ca 0.32 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 2ekd h ILE 33 Cb 0.07 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2ekd h ILE 33 CO -0.13 0.50 -0.03 0.58 0.00 0.00 0.00 178.15 179.06 2ekd h VAL 34 N 0.69 0.62 0.02 1.67 2.07 -0.83 -3.37 116.25 117.12 2ekd h VAL 34 Ca 0.07 -1.34 0.02 0.00 0.82 0.00 0.00 66.70 66.27 2ekd h VAL 34 Cb 0.89 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2ekd h VAL 34 CO 0.08 0.20 -0.51 -1.13 0.02 0.00 0.00 177.57 176.23 2ekd h ASN 35 N -0.99 -1.56 -2.45 0.57 -0.00 -0.83 -3.34 115.58 106.98 2ekd h ASN 35 Ca -0.01 0.18 -0.53 0.00 -0.00 0.00 0.00 56.30 55.93 2ekd h ASN 35 Cb 0.39 0.59 -0.05 0.00 -0.00 0.00 0.00 38.32 39.25 2ekd h ASN 35 CO 0.01 -0.52 1.21 0.20 -0.00 0.00 0.00 177.43 178.34 2ekd s ASN 36 N -4.74 5.78 -0.30 1.15 0.01 -0.95 -4.95 114.94 110.94 2ekd s ASN 36 Ca -0.16 0.38 -0.17 0.00 -0.71 0.00 0.00 52.86 52.20 2ekd s ASN 36 Cb 0.07 -2.54 0.18 0.00 0.41 0.00 0.00 41.25 39.37 2ekd s ASN 36 CO 0.62 -1.97 1.20 -0.55 -1.51 0.00 0.00 177.10 174.88 2ekd s SER 37 N 5.95 -0.18 0.34 -1.22 0.15 -1.26 -4.58 113.70 112.91 2ekd s SER 37 Ca 0.60 0.14 0.18 0.00 0.70 0.00 0.00 55.95 57.58 2ekd s SER 37 Cb -0.13 1.16 0.37 0.00 -1.71 0.00 0.00 66.02 65.71 2ekd s SER 37 CO 0.24 -0.03 1.58 0.11 1.20 0.00 0.00 173.24 176.34 2ekd h LYS 38 N 7.76 0.00 -6.76 5.44 1.79 -1.94 -3.46 116.57 119.41 2ekd h LYS 38 Ca -0.12 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.85 2ekd h LYS 38 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2ekd h LYS 38 CO -0.13 0.38 0.04 -0.51 -1.08 0.00 0.00 179.45 178.16 2ekd s LEU 39 N -6.58 3.87 0.27 2.94 1.43 -1.26 -5.04 118.68 114.31 2ekd s LEU 39 Ca 0.03 0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 53.82 2ekd s LEU 39 Cb 0.08 -3.86 -0.10 0.00 0.03 0.00 0.00 46.19 42.34 2ekd s LEU 39 CO 0.71 -0.36 1.48 -2.84 0.23 0.00 0.00 176.35 175.56 2ekd s PRO 40 N -3.88 4.23 -0.18 1.29 0.02 -1.26 -4.76 135.00 130.45 2ekd s PRO 40 Ca 0.49 2.38 -0.08 0.00 0.02 0.00 0.00 61.00 63.81 2ekd s PRO 40 Cb -0.10 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 2ekd s PRO 40 CO 0.33 -0.47 0.09 0.42 -0.33 0.00 0.00 177.00 177.04 2ekd s ILE 41 N -0.09 5.07 -0.09 2.83 -1.09 -1.26 -1.19 121.20 125.38 2ekd s ILE 41 Ca 0.60 0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 59.08 2ekd s ILE 41 Cb -0.44 -3.29 0.03 0.00 -1.58 0.00 0.00 42.46 37.18 2ekd s ILE 41 CO 0.46 0.46 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.90 2ekd s VAL 42 N 0.27 0.73 -0.18 2.92 1.01 -0.55 -3.19 120.40 121.41 2ekd s VAL 42 Ca 0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2ekd s VAL 42 Cb -0.12 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2ekd s VAL 42 CO -0.01 0.32 0.10 -0.69 0.00 0.00 0.00 175.10 174.82 2ekd s VAL 43 N 1.83 5.15 -0.46 2.92 1.01 -0.49 -2.84 120.40 127.52 2ekd s VAL 43 Ca 0.05 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 2ekd s VAL 43 Cb -0.12 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 32.99 2ekd s VAL 43 CO -0.07 0.47 0.41 -1.81 0.00 0.00 0.00 175.10 174.11 2ekd s ASP 44 N 0.17 6.16 -0.53 3.32 1.01 -0.37 -0.52 116.67 125.90 2ekd s ASP 44 Ca 0.07 -1.11 -0.18 0.00 0.71 0.00 0.00 52.55 52.04 2ekd s ASP 44 Cb -0.12 -2.20 0.08 0.00 1.01 0.00 0.00 42.92 41.70 2ekd s ASP 44 CO -0.00 -0.63 0.60 -0.62 0.21 0.00 0.00 175.17 174.73 2ekd s ASP 45 N 2.33 6.19 -0.19 0.27 2.15 -0.20 -1.47 116.67 125.74 2ekd s ASP 45 Ca 0.07 -1.26 -0.17 0.00 0.43 0.00 0.00 52.55 51.61 2ekd s ASP 45 Cb -0.22 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.10 2ekd s ASP 45 CO 0.09 -0.92 0.46 -0.63 -0.17 0.00 0.00 175.17 174.00 2ekd s ILE 46 N 2.37 5.15 -1.37 4.11 1.01 -0.73 -4.43 121.20 127.31 2ekd s ILE 46 Ca 0.11 0.84 -0.05 0.00 0.00 0.00 0.00 60.65 61.55 2ekd s ILE 46 Cb -0.23 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2ekd s ILE 46 CO 0.08 0.22 0.44 0.18 0.00 0.00 0.00 174.94 175.86 2ekd n LEU 47 N 4.55 -2.08 -2.16 2.97 4.77 -1.26 -2.20 117.00 121.59 2ekd n LEU 47 Ca -0.07 -1.05 -0.16 0.00 -0.03 0.00 0.00 56.01 54.71 2ekd n LEU 47 Cb 0.51 -2.15 -0.02 0.00 -2.33 0.00 0.00 43.42 39.42 2ekd n LEU 47 CO 0.41 0.46 -0.19 0.47 -1.33 0.00 0.00 177.39 177.22 2ekd n ASP 48 N -2.89 -4.53 0.14 -1.43 8.00 -1.26 -4.83 116.55 109.74 2ekd n ASP 48 Ca -0.28 0.19 -0.00 0.00 0.71 0.00 0.00 54.79 55.41 2ekd n ASP 48 Cb 0.67 -3.89 0.25 0.00 -0.02 0.00 0.00 41.12 38.13 2ekd n ASP 48 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2ekd h THR 49 N 0.00 1.34 -0.62 -3.53 2.02 -1.75 -2.91 112.91 107.47 2ekd h THR 49 Ca -0.36 -1.65 -0.03 0.00 0.77 0.00 0.00 66.41 65.14 2ekd h THR 49 Cb 1.20 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 2ekd h THR 49 CO 0.45 0.48 0.28 0.22 0.37 0.00 0.00 175.52 177.31 2ekd h TYR 50 N 0.06 0.92 -0.81 3.16 3.20 -1.89 -1.57 116.97 120.03 2ekd h TYR 50 Ca 0.00 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.89 2ekd h TYR 50 Cb 0.87 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 2ekd h TYR 50 CO 0.00 0.71 0.47 -0.92 -1.64 0.00 0.00 178.16 176.79 2ekd h TYR 51 N 0.86 0.87 -0.49 -3.82 3.20 -1.81 0.15 116.97 115.93 2ekd h TYR 51 Ca 0.21 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 2ekd h TYR 51 Cb 0.15 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2ekd h TYR 51 CO 0.01 0.40 0.10 0.93 -1.64 0.00 0.00 178.16 177.96 2ekd h GLU 52 N 0.84 0.79 -0.45 1.82 5.08 -1.29 0.41 114.58 121.78 2ekd h GLU 52 Ca 0.37 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2ekd h GLU 52 Cb 0.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2ekd h GLU 52 CO -0.21 0.78 0.10 0.74 -1.00 0.00 0.00 179.01 179.43 2ekd h PHE 53 N 0.67 0.77 -0.06 4.33 -1.00 -0.76 -2.45 116.94 118.44 2ekd h PHE 53 Ca 0.15 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.85 2ekd h PHE 53 Cb 0.36 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 2ekd h PHE 53 CO 0.02 0.71 -0.01 -0.92 -1.61 0.00 0.00 178.31 176.50 2ekd h TYR 54 N 0.61 -0.03 -0.71 -0.55 3.20 -0.51 -2.23 116.97 116.74 2ekd h TYR 54 Ca 0.14 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.04 2ekd h TYR 54 Cb 0.33 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 2ekd h TYR 54 CO 0.02 -0.02 0.46 1.15 -1.64 0.00 0.00 178.16 178.13 2ekd h THR 55 N 0.00 1.14 -0.65 1.81 2.02 -0.85 -0.08 112.91 116.31 2ekd h THR 55 Ca 0.03 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 2ekd h THR 55 Cb 0.04 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 2ekd h THR 55 CO -0.06 0.17 0.09 0.03 0.37 0.00 0.00 175.52 176.12 2ekd h ARG 56 N 0.92 1.07 -0.47 6.66 3.08 -1.31 -0.98 114.38 123.34 2ekd h ARG 56 Ca 0.28 -0.29 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 2ekd h ARG 56 Cb -0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2ekd h ARG 56 CO -0.09 0.99 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.51 2ekd h LEU 57 N 1.00 1.01 -0.09 3.04 3.38 -1.09 -1.91 115.31 120.65 2ekd h LEU 57 Ca 0.20 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2ekd h LEU 57 Cb 0.44 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2ekd h LEU 57 CO 0.01 1.19 0.05 0.50 0.09 0.00 0.00 178.44 180.28 2ekd h LYS 58 N 0.84 0.12 0.00 1.13 3.64 -0.70 -1.80 116.57 119.79 2ekd h LYS 58 Ca 0.11 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2ekd h LYS 58 Cb 0.80 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2ekd h LYS 58 CO 0.07 0.17 -0.21 -0.39 -2.27 0.00 0.00 179.45 176.82 2ekd h VAL 59 N 0.04 0.79 0.00 2.00 -1.51 -1.17 -1.82 116.25 114.57 2ekd h VAL 59 Ca 0.03 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 2ekd h VAL 59 Cb 0.09 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 2ekd h VAL 59 CO -0.00 0.21 0.00 0.00 -1.23 0.00 0.00 177.57 176.54 2ekd n ALA 60 N -2.33 1.86 -0.09 5.19 0.00 -0.72 -4.89 120.51 119.53 2ekd n ALA 60 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2ekd n ALA 60 Cb 0.32 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2ekd n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ekd n GLY 61 N 0.42 0.75 3.80 0.00 0.00 -0.68 -5.07 105.19 104.41 2ekd n GLY 61 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2ekd n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ekd s PHE 62 N -2.09 2.94 -0.46 1.61 0.40 -0.74 -4.97 117.98 114.68 2ekd s PHE 62 Ca 0.00 1.51 -0.26 0.00 -0.60 0.00 0.00 56.93 57.58 2ekd s PHE 62 Cb 0.00 -3.02 0.03 0.00 0.51 0.00 0.00 43.02 40.54 2ekd s PHE 62 CO 0.00 -1.22 0.96 0.34 0.70 0.00 0.00 175.22 176.01 2ekd s ASP 63 N -2.88 6.53 -0.15 1.36 2.15 -1.26 -4.63 116.67 117.80 2ekd s ASP 63 Ca 0.63 0.21 0.12 0.00 0.43 0.00 0.00 52.55 53.94 2ekd s ASP 63 Cb -0.16 -2.47 0.61 0.00 -0.30 0.00 0.00 42.92 40.60 2ekd s ASP 63 CO 0.40 -1.08 1.46 1.33 -0.17 0.00 0.00 175.17 177.11 2ekd n VAL 64 N 6.47 1.87 -0.21 1.11 0.24 -1.26 -4.35 118.33 122.21 2ekd n VAL 64 Ca 0.07 -1.02 -0.09 0.00 -2.04 0.00 0.00 64.34 61.26 2ekd n VAL 64 Cb 0.49 -0.19 0.02 0.00 -1.47 0.00 0.00 33.84 32.69 2ekd n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ekd h ALA 65 N 3.66 0.79 -0.28 2.33 0.00 -1.99 -2.48 119.26 121.30 2ekd h ALA 65 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.70 2ekd h ALA 65 Cb 1.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2ekd h ALA 65 CO 0.31 0.60 0.20 -1.35 0.00 0.00 0.00 179.25 179.01 2ekd h PRO 66 N 0.92 0.01 0.00 0.00 0.11 -1.99 0.11 132.00 131.16 2ekd h PRO 66 Ca 0.17 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.16 2ekd h PRO 66 Cb 0.51 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 2ekd h PRO 66 CO 0.02 0.01 -0.61 -0.07 -0.21 0.00 0.00 178.00 177.14 2ekd h LEU 67 N 0.01 0.00 -0.03 2.35 3.38 -1.77 -3.27 115.31 115.98 2ekd h LEU 67 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2ekd h LEU 67 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2ekd h LEU 67 CO -0.00 0.57 -0.35 -0.33 0.09 0.00 0.00 178.44 178.42 2ekd h GLU 68 N 0.00 0.00 -0.50 1.13 5.08 -0.58 -3.34 114.58 116.38 2ekd h GLU 68 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ekd h GLU 68 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 2ekd h GLU 68 CO 0.07 0.35 0.00 0.09 -1.00 0.00 0.00 179.01 178.52 2ekd n ASN 69 N -3.19 3.57 -4.93 1.42 3.02 -0.68 -3.45 115.26 111.02 2ekd n ASN 69 Ca 0.03 -1.99 -0.25 0.00 -0.03 0.00 0.00 54.58 52.33 2ekd n ASN 69 Cb 0.67 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 2ekd n ASN 69 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2ekd s VAL 70 N -1.35 4.56 0.27 2.41 -7.23 -1.24 -4.76 120.40 113.06 2ekd s VAL 70 Ca 0.42 -0.19 -0.24 0.00 -1.81 0.00 0.00 61.98 60.15 2ekd s VAL 70 Cb 0.24 -3.71 -0.09 0.00 0.56 0.00 0.00 36.38 33.37 2ekd s VAL 70 CO 0.32 -0.58 0.85 -1.10 -0.31 0.00 0.00 175.10 174.28 2ekd s GLN 71 N -4.61 4.50 -0.01 4.82 -0.21 -1.19 -0.64 119.66 122.32 2ekd s GLN 71 Ca 0.46 1.17 0.02 0.00 0.02 0.00 0.00 55.36 57.04 2ekd s GLN 71 Cb -0.10 -2.91 -0.00 0.00 1.00 0.00 0.00 33.01 30.99 2ekd s GLN 71 CO 0.41 0.37 -0.07 0.08 -2.12 0.00 0.00 175.29 173.95 2ekd s VAL 72 N -1.50 0.58 -0.33 1.09 1.01 0.65 -1.39 120.40 120.50 2ekd s VAL 72 Ca 0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2ekd s VAL 72 Cb -0.19 -0.50 0.06 0.00 0.00 0.00 0.00 36.38 35.75 2ekd s VAL 72 CO 0.24 0.17 0.06 -0.63 0.00 0.00 0.00 175.10 174.94 2ekd s ILE 73 N -0.06 3.13 0.00 2.22 1.01 0.32 -0.67 121.20 127.15 2ekd s ILE 73 Ca 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 60.65 59.14 2ekd s ILE 73 Cb -0.04 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.54 2ekd s ILE 73 CO -0.00 -0.25 0.00 0.29 0.00 0.00 0.00 174.94 174.97 2ekd n LYS 74 N 4.63 0.80 0.00 2.79 5.02 -0.43 -1.03 118.16 129.94 2ekd n LYS 74 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2ekd n LYS 74 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 2ekd n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ekd n GLY 76 N 5.00 0.00 0.00 0.72 0.00 -1.07 0.05 105.19 109.89 2ekd n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ekd n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ekd n GLY 77 N 0.00 1.20 0.00 -0.02 0.00 -1.26 -4.35 105.19 100.76 2ekd n GLY 77 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2ekd n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ekd n THR 78 N 1.35 0.00 -3.15 2.61 -1.04 -1.26 -4.93 114.28 107.85 2ekd n THR 78 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2ekd n THR 78 Cb 0.00 0.07 -0.07 0.00 -1.82 0.00 0.00 70.33 68.51 2ekd n THR 78 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2ekd s LYS 79 N -1.24 3.51 -0.42 -2.82 3.01 -1.26 -5.03 119.74 115.49 2ekd s LYS 79 Ca 0.00 -0.17 -0.24 0.00 -1.01 0.00 0.00 55.97 54.55 2ekd s LYS 79 Cb 0.00 -3.86 0.02 0.00 -1.01 0.00 0.00 37.83 32.98 2ekd s LYS 79 CO 0.00 -0.81 0.85 -0.51 0.51 0.00 0.00 175.35 175.39 2ekd s ASP 80 N 1.85 6.51 -0.07 2.83 1.11 -1.26 -4.76 116.67 122.89 2ekd s ASP 80 Ca 0.22 0.19 0.02 0.00 0.18 0.00 0.00 52.55 53.16 2ekd s ASP 80 Cb -0.15 -2.42 0.01 0.00 1.07 0.00 0.00 42.92 41.44 2ekd s ASP 80 CO 0.16 -0.90 -0.12 -0.63 1.18 0.00 0.00 175.17 174.86 2ekd s ILE 81 N 3.41 1.13 0.00 0.77 -1.09 -1.26 -5.07 121.20 119.08 2ekd s ILE 81 Ca 0.34 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 2ekd s ILE 81 Cb -0.12 -1.04 0.00 0.00 -1.58 0.00 0.00 42.46 39.73 2ekd s ILE 81 CO 0.22 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 2ekd n GLY 82 N 3.84 -2.66 3.45 6.18 0.00 -1.25 -4.73 105.19 110.03 2ekd n GLY 82 Ca -0.23 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 2ekd n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ekd s ARG 83 N -0.62 3.19 -0.19 1.61 0.52 0.19 -4.90 118.95 118.76 2ekd s ARG 83 Ca 0.00 -0.99 -0.29 0.00 -0.52 0.00 0.00 55.73 53.93 2ekd s ARG 83 Cb 0.00 -4.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.09 2ekd s ARG 83 CO 0.00 -1.82 1.51 0.08 0.02 0.00 0.00 175.30 175.09 2ekd s VAL 84 N 3.85 3.85 -2.20 3.52 1.01 -1.26 -0.26 120.40 128.93 2ekd s VAL 84 Ca 0.24 0.99 0.21 0.00 0.00 0.00 0.00 61.98 63.42 2ekd s VAL 84 Cb -0.15 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.51 2ekd s VAL 84 CO 0.07 -0.25 1.08 2.30 0.00 0.00 0.00 175.10 178.29 2ekd n ILE 85 N 6.03 0.00 -3.59 2.22 -5.35 0.16 -4.89 119.36 113.93 2ekd n ILE 85 Ca 0.17 -0.38 -0.06 0.00 -0.27 0.00 0.00 62.75 62.21 2ekd n ILE 85 Cb 0.45 1.33 -0.03 0.00 -1.74 0.00 0.00 39.64 39.64 2ekd n ILE 85 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2ekd s GLY 86 N -2.06 -0.21 -0.09 3.28 0.00 -1.23 -5.02 107.32 102.00 2ekd s GLY 86 Ca 0.20 1.97 -0.00 0.00 0.00 0.00 0.00 44.72 46.89 2ekd s GLY 86 CO 0.41 0.80 -0.05 0.50 0.00 0.00 0.00 173.10 174.75 2ekd s ARG 87 N -1.77 1.16 0.02 2.90 0.52 -1.26 -1.32 118.95 119.20 2ekd s ARG 87 Ca 0.06 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.16 2ekd s ARG 87 Cb -0.01 -1.27 -0.04 0.00 0.52 0.00 0.00 34.95 34.15 2ekd s ARG 87 CO -0.04 -0.22 -0.05 -0.51 0.02 0.00 0.00 175.30 174.49 2ekd s LEU 88 N 1.58 3.26 0.15 2.53 1.43 0.11 -4.98 118.68 122.76 2ekd s LEU 88 Ca 0.01 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 2ekd s LEU 88 Cb -0.13 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 2ekd s LEU 88 CO -0.05 0.27 0.66 0.21 0.23 0.00 0.00 176.35 177.67 2ekd s ASN 89 N -1.57 7.09 -0.39 2.29 2.47 -1.26 -2.61 114.94 120.95 2ekd s ASN 89 Ca 0.19 1.37 -0.08 0.00 0.42 0.00 0.00 52.86 54.75 2ekd s ASN 89 Cb -0.11 -2.40 0.06 0.00 -1.45 0.00 0.00 41.25 37.36 2ekd s ASN 89 CO 0.09 0.16 0.21 -0.63 -3.72 0.00 0.00 177.10 173.22 2ekd s ILE 90 N -1.31 4.12 -0.16 -5.21 1.01 -1.26 -4.46 121.20 113.94 2ekd s ILE 90 Ca 0.36 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2ekd s ILE 90 Cb -0.19 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 2ekd s ILE 90 CO 0.21 -0.41 -0.15 -0.94 0.00 0.00 0.00 174.94 173.65 2ekd s SER 91 N 1.87 3.69 -1.41 3.58 1.04 -0.69 -4.54 113.70 117.23 2ekd s SER 91 Ca 0.02 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 2ekd s SER 91 Cb -0.22 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2ekd s SER 91 CO 0.02 0.08 0.15 0.29 0.98 0.00 0.00 173.24 174.77 2ekd n LYS 92 N 4.08 -2.18 -3.32 4.02 4.76 -1.26 -2.48 118.16 121.77 2ekd n LYS 92 Ca -0.19 0.81 -0.22 0.00 -2.87 0.00 0.00 58.31 55.84 2ekd n LYS 92 Cb 0.52 -5.29 0.06 0.00 -1.84 0.00 0.00 35.03 28.48 2ekd n LYS 92 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2ekd n TYR 93 N -4.10 -2.38 -3.79 2.13 4.01 -1.26 -4.84 117.16 106.92 2ekd n TYR 93 Ca -0.17 0.78 -0.10 0.00 -0.16 0.00 0.00 57.90 58.25 2ekd n TYR 93 Cb 0.64 -4.58 -0.05 0.00 -0.31 0.00 0.00 39.34 35.04 2ekd n TYR 93 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2ekd s VAL 94 N -3.24 0.06 -0.00 -0.72 0.11 -1.04 -4.67 120.40 110.90 2ekd s VAL 94 Ca 0.45 -0.95 0.05 0.00 -2.93 0.00 0.00 61.98 58.61 2ekd s VAL 94 Cb -0.20 -1.55 -0.03 0.00 -1.53 0.00 0.00 36.38 33.07 2ekd s VAL 94 CO 0.56 -0.25 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.30 2ekd s ILE 95 N -3.89 2.98 0.24 7.04 1.09 -1.26 -1.71 121.20 125.69 2ekd s ILE 95 Ca 0.10 -0.95 -0.30 0.00 -1.10 0.00 0.00 60.65 58.40 2ekd s ILE 95 Cb 0.01 -2.22 -0.09 0.00 -1.06 0.00 0.00 42.46 39.10 2ekd s ILE 95 CO -0.04 0.45 1.34 -0.55 -0.10 0.00 0.00 174.94 176.04 2ekd s SER 96 N -1.14 6.81 0.07 3.58 0.15 -1.26 -4.91 113.70 117.00 2ekd s SER 96 Ca 0.14 2.54 0.26 0.00 0.70 0.00 0.00 55.95 59.59 2ekd s SER 96 Cb -0.11 -2.62 0.73 0.00 -1.71 0.00 0.00 66.02 62.31 2ekd s SER 96 CO 0.04 -0.57 1.61 -1.84 1.20 0.00 0.00 173.24 173.67 2ekd n GLU 97 N 2.14 0.13 0.06 5.44 0.28 -1.26 -3.33 120.64 124.11 2ekd n GLU 97 Ca 0.05 0.07 -0.08 0.00 -0.16 0.00 0.00 57.16 57.04 2ekd n GLU 97 Cb 0.42 -1.61 -0.12 0.00 1.43 0.00 0.00 31.44 31.55 2ekd n GLU 97 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2ekd h GLN 98 N 0.00 0.03 0.10 3.44 7.50 -2.06 -3.32 115.11 120.80 2ekd h GLN 98 Ca 0.00 -0.05 -0.27 0.00 0.50 0.00 0.00 58.65 58.83 2ekd h GLN 98 Cb 0.61 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 2ekd h GLN 98 CO 0.00 0.99 -1.30 0.93 -1.50 0.00 0.00 178.83 177.95 2ekd h GLU 99 N 0.01 0.20 -0.90 1.46 5.08 -1.97 -3.29 114.58 115.17 2ekd h GLU 99 Ca -0.04 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2ekd h GLU 99 Cb 1.81 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.19 2ekd h GLU 99 CO 0.13 1.11 0.00 0.98 -1.00 0.00 0.00 179.01 180.24 2ekd n TYR 100 N -3.45 0.00 0.00 4.33 9.36 -1.21 -2.32 117.16 123.86 2ekd n TYR 100 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 2ekd n TYR 100 Cb 1.02 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.68 2ekd n TYR 100 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2ekd n GLU 102 N 0.71 0.00 0.08 2.98 2.13 -1.24 -1.86 120.64 123.43 2ekd n GLU 102 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 2ekd n GLU 102 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 2ekd n GLU 102 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2ekd h ILE 103 N 0.00 1.39 -0.01 6.31 2.04 -1.81 -3.23 117.51 122.20 2ekd h ILE 103 Ca 0.00 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 63.30 2ekd h ILE 103 Cb 0.00 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 2ekd h ILE 103 CO 0.00 0.76 0.00 1.33 0.00 0.00 0.00 178.15 180.24 2ekd n VAL 104 N -3.72 0.00 0.19 1.67 0.24 -0.78 -3.55 118.33 112.39 2ekd n VAL 104 Ca -0.09 -0.13 0.04 0.00 -2.04 0.00 0.00 64.34 62.12 2ekd n VAL 104 Cb 0.91 0.03 0.38 0.00 -1.47 0.00 0.00 33.84 33.68 2ekd n VAL 104 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2ekd h SER 105 N 1.23 0.00 0.98 -1.34 4.64 -1.82 -2.07 113.55 115.17 2ekd h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ekd h SER 105 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2ekd h SER 105 CO 0.00 0.37 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 2ekd n GLN 106 N -3.89 0.15 -2.45 4.77 10.64 -1.23 -4.72 117.38 120.64 2ekd n GLN 106 Ca -0.01 0.25 -0.43 0.00 -1.83 0.00 0.00 57.00 54.98 2ekd n GLN 106 Cb 0.43 -1.72 -0.02 0.00 -0.86 0.00 0.00 30.24 28.06 2ekd n GLN 106 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2ekd s LEU 107 N -3.99 4.07 -0.14 2.61 1.43 -0.78 -4.90 118.68 116.99 2ekd s LEU 107 Ca 0.08 1.49 0.08 0.00 -1.03 0.00 0.00 54.13 54.76 2ekd s LEU 107 Cb 0.12 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.57 2ekd s LEU 107 CO 0.46 -0.86 0.30 0.29 0.23 0.00 0.00 176.35 176.77 2ekd n LYS 108 N 6.81 0.68 -2.75 1.70 5.02 -1.26 -4.91 118.16 123.44 2ekd n LYS 108 Ca 0.14 0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 56.19 2ekd n LYS 108 Cb 0.46 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2ekd n LYS 108 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ekd s ASP 109 N -6.21 7.17 -0.00 4.39 1.11 -1.26 -5.04 116.67 116.82 2ekd s ASP 109 Ca -0.15 1.44 0.00 0.00 0.18 0.00 0.00 52.55 54.02 2ekd s ASP 109 Cb 0.07 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.54 2ekd s ASP 109 CO 0.78 -0.42 -0.00 -0.31 1.18 0.00 0.00 175.17 176.40 2ekd s TYR 110 N 1.97 0.08 0.52 4.23 2.02 -1.26 -4.47 117.35 120.44 2ekd s TYR 110 Ca 0.46 0.01 -0.06 0.00 -0.37 0.00 0.00 57.07 57.10 2ekd s TYR 110 Cb -0.18 -0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.26 2ekd s TYR 110 CO 0.17 -0.02 0.83 -1.25 -1.57 0.00 0.00 175.55 173.71 2ekd s PRO 111 N 0.17 3.41 0.13 -1.71 0.04 -1.26 -5.10 135.00 130.68 2ekd s PRO 111 Ca -0.01 0.20 0.10 0.00 0.04 0.00 0.00 61.00 61.32 2ekd s PRO 111 Cb -0.03 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 2ekd s PRO 111 CO -0.00 -0.35 -0.24 0.14 0.04 0.00 0.00 177.00 176.59 2ekd s VAL 112 N -2.83 2.04 -0.16 -0.36 -7.23 0.23 -4.31 120.40 107.77 2ekd s VAL 112 Ca 0.49 -1.74 -0.23 0.00 -1.81 0.00 0.00 61.98 58.69 2ekd s VAL 112 Cb -0.10 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 2ekd s VAL 112 CO 0.46 -0.03 0.73 -0.63 -0.31 0.00 0.00 175.10 175.31 2ekd s ILE 113 N -1.29 4.97 -0.61 -0.62 -1.09 -0.33 -1.88 121.20 120.36 2ekd s ILE 113 Ca 0.13 1.41 0.03 0.00 -2.23 0.00 0.00 60.65 59.99 2ekd s ILE 113 Cb -0.09 -4.04 0.15 0.00 -1.58 0.00 0.00 42.46 36.90 2ekd s ILE 113 CO 0.06 0.10 0.38 0.21 -1.23 0.00 0.00 174.94 174.46 2ekd s ASN 114 N 1.11 4.70 -0.04 3.58 3.04 0.20 -1.48 114.94 126.05 2ekd s ASN 114 Ca 0.34 -3.25 -0.30 0.00 0.04 0.00 0.00 52.86 49.69 2ekd s ASN 114 Cb -0.16 -1.69 -0.03 0.00 -1.54 0.00 0.00 41.25 37.83 2ekd s ASN 114 CO 0.12 -0.21 1.08 -2.84 -3.04 0.00 0.00 177.10 172.21 2ekd s PRO 115 N -0.62 4.44 -0.23 0.43 0.02 -1.13 -0.82 135.00 137.08 2ekd s PRO 115 Ca 0.20 1.53 -0.05 0.00 0.02 0.00 0.00 61.00 62.70 2ekd s PRO 115 Cb -0.19 -3.50 -0.01 0.00 0.02 0.00 0.00 34.50 30.83 2ekd s PRO 115 CO -0.05 -0.28 -0.02 0.08 -0.33 0.00 0.00 177.00 176.40 2ekd s VAL 116 N 1.69 3.57 0.01 3.83 1.01 0.48 -1.24 120.40 129.75 2ekd s VAL 116 Ca 0.53 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.11 2ekd s VAL 116 Cb -0.22 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2ekd s VAL 116 CO 0.23 0.39 -0.14 -0.76 0.00 0.00 0.00 175.10 174.81 2ekd s LEU 117 N 1.50 2.78 0.00 3.92 1.43 -0.55 -1.27 118.68 126.49 2ekd s LEU 117 Ca 0.06 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2ekd s LEU 117 Cb -0.15 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2ekd s LEU 117 CO -0.02 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.46 2ekd n GLY 118 N 1.75 0.66 0.37 -3.19 0.00 -1.25 -1.77 105.19 101.75 2ekd n GLY 118 Ca -0.16 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.72 2ekd n GLY 118 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ekd h LEU 119 N 0.00 0.91 -2.24 0.99 5.85 -1.85 -1.87 115.31 117.09 2ekd h LEU 119 Ca 0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2ekd h LEU 119 Cb 0.00 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2ekd h LEU 119 CO 0.00 0.57 0.17 1.12 -0.34 0.00 0.00 178.44 179.96 2ekd h HIS 120 N 1.03 0.00 -0.35 1.25 2.07 -1.91 -1.80 115.15 115.43 2ekd h HIS 120 Ca 0.40 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.84 2ekd h HIS 120 Cb 0.23 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.20 2ekd h HIS 120 CO -0.00 0.00 -0.09 0.87 -3.07 0.00 0.00 177.93 175.64 2ekd h LYS 121 N 0.00 0.68 -0.57 5.12 1.57 -1.75 0.88 116.57 122.51 2ekd h LYS 121 Ca 0.08 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2ekd h LYS 121 Cb 0.41 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2ekd h LYS 121 CO -0.00 0.85 0.31 -0.07 -0.57 0.00 0.00 179.45 179.97 2ekd h LEU 122 N 0.47 0.69 -0.06 2.94 3.38 -1.43 -1.75 115.31 119.56 2ekd h LEU 122 Ca 0.09 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2ekd h LEU 122 Cb 0.60 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2ekd h LEU 122 CO 0.04 0.56 -0.63 0.40 0.09 0.00 0.00 178.44 178.90 2ekd h ILE 123 N 0.79 1.37 -0.35 1.22 2.04 -1.30 -2.88 117.51 118.39 2ekd h ILE 123 Ca 0.20 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 2ekd h ILE 123 Cb 0.02 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2ekd h ILE 123 CO -0.03 0.59 0.16 0.25 0.00 0.00 0.00 178.15 179.12 2ekd h LEU 124 N 0.11 0.43 -0.12 1.44 5.85 -0.50 -2.74 115.31 119.78 2ekd h LEU 124 Ca -0.06 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 2ekd h LEU 124 Cb 1.30 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2ekd h LEU 124 CO 0.13 0.37 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.24 2ekd h LEU 125 N 0.49 0.00-10.14 2.25 3.38 -1.33 -3.47 115.31 106.48 2ekd h LEU 125 Ca 0.12 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.61 2ekd h LEU 125 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2ekd h LEU 125 CO -0.02 0.29 -0.40 -0.83 0.09 0.00 0.00 178.44 177.57 2ekd s GLY 126 N -4.35 1.85 0.41 0.83 0.00 -1.03 -5.07 107.32 99.95 2ekd s GLY 126 Ca 0.05 -1.68 -0.05 0.00 0.00 0.00 0.00 44.72 43.04 2ekd s GLY 126 CO 0.70 -1.57 0.55 1.16 0.00 0.00 0.00 173.10 173.95 2ekd n ASN 127 N -1.49 0.26 -0.21 1.64 0.23 -1.26 -4.74 115.26 109.69 2ekd n ASN 127 Ca 0.00 -1.33 -0.03 0.00 -0.53 0.00 0.00 54.58 52.70 2ekd n ASN 127 Cb 0.60 -0.40 0.08 0.00 -2.08 0.00 0.00 39.78 37.97 2ekd n ASN 127 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2ekd h THR 128 N -1.03 0.97 -0.59 5.53 2.02 -1.99 0.36 112.91 118.19 2ekd h THR 128 Ca -0.18 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 2ekd h THR 128 Cb 0.55 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2ekd h THR 128 CO 0.15 0.11 0.28 0.15 0.37 0.00 0.00 175.52 176.58 2ekd h PHE 129 N 0.63 0.86 -0.07 3.16 3.57 -2.00 -1.11 116.94 121.97 2ekd h PHE 129 Ca 0.27 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.58 2ekd h PHE 129 Cb 0.15 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2ekd h PHE 129 CO -0.08 0.66 -0.61 0.93 -2.23 0.00 0.00 178.31 176.98 2ekd h GLU 130 N 0.81 0.25 -0.33 1.11 5.08 -1.81 -2.89 114.58 116.79 2ekd h GLU 130 Ca 0.20 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2ekd h GLU 130 Cb 0.13 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2ekd h GLU 130 CO -0.02 0.78 0.14 -0.91 -1.00 0.00 0.00 179.01 178.00 2ekd h ASN 131 N 0.19 0.45 -0.80 1.42 -0.26 -0.59 -1.75 115.58 114.24 2ekd h ASN 131 Ca -0.01 -0.16 0.06 0.00 -0.56 0.00 0.00 56.30 55.64 2ekd h ASN 131 Cb 1.11 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 38.20 2ekd h ASN 131 CO 0.09 0.49 0.52 0.40 -1.06 0.00 0.00 177.43 177.87 2ekd h ILE 132 N 0.39 1.05 -0.19 2.81 2.04 -1.13 0.02 117.51 122.51 2ekd h ILE 132 Ca 0.11 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.57 2ekd h ILE 132 Cb 0.17 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2ekd h ILE 132 CO -0.01 0.16 -0.30 0.78 0.00 0.00 0.00 178.15 178.78 2ekd h ASN 133 N 0.88 0.38 -0.41 1.72 2.35 -1.21 -0.94 115.58 118.35 2ekd h ASN 133 Ca 0.34 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 2ekd h ASN 133 Cb 0.21 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2ekd h ASN 133 CO -0.12 0.67 0.08 0.58 -1.65 0.00 0.00 177.43 176.99 2ekd h VAL 134 N 0.33 1.24 -0.79 2.81 2.07 -0.19 -2.77 116.25 118.94 2ekd h VAL 134 Ca 0.04 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 2ekd h VAL 134 Cb 0.70 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2ekd h VAL 134 CO 0.05 0.29 0.38 0.58 0.02 0.00 0.00 177.57 178.89 2ekd h VAL 135 N 0.53 1.25 0.00 2.57 2.07 -0.81 -2.46 116.25 119.39 2ekd h VAL 135 Ca 0.13 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2ekd h VAL 135 Cb 0.34 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2ekd h VAL 135 CO 0.00 0.29 0.00 0.29 0.02 0.00 0.00 177.57 178.18 2ekd n LYS 136 N -4.37 0.04 0.00 1.57 5.02 -0.39 -1.05 118.16 118.99 2ekd n LYS 136 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2ekd n LYS 136 Cb 0.13 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2ekd n LYS 136 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2ekd n VAL 138 N 1.46 0.00 0.24 -0.18 0.31 -0.93 -0.78 118.33 118.45 2ekd n VAL 138 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 2ekd n VAL 138 Cb 0.02 0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.48 2ekd n VAL 138 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2ekd h SER 139 N 0.00 0.00 0.67 4.52 4.64 -1.39 -3.08 113.55 118.92 2ekd h SER 139 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2ekd h SER 139 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ekd h SER 139 CO 0.00 0.16 -0.06 0.78 -0.87 0.00 0.00 176.83 176.84 2ekd h ASN 140 N 0.00 0.00 -0.04 4.97 2.35 -1.22 -2.93 115.58 118.70 2ekd h ASN 140 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ekd h ASN 140 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2ekd h ASN 140 CO 0.02 0.06 0.00 -1.22 -1.65 0.00 0.00 177.43 174.64 2ekd n TYR 141 N -3.25 0.03 -1.95 1.19 4.01 -1.16 -4.94 117.16 111.09 2ekd n TYR 141 Ca -0.01 -0.02 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 2ekd n TYR 141 Cb 0.26 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 2ekd n TYR 141 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2ekd s VAL 142 N -1.45 3.36 0.00 -0.72 1.01 -1.11 -2.63 120.40 118.86 2ekd s VAL 142 Ca 0.21 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2ekd s VAL 142 Cb 0.15 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2ekd s VAL 142 CO 0.22 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2ekd n GLY 143 N 4.13 1.20 3.63 4.51 0.00 0.16 -5.05 105.19 113.77 2ekd n GLY 143 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2ekd n GLY 143 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ekd s ARG 144 N -0.61 3.97 0.00 1.61 1.70 -1.08 -4.69 118.95 119.86 2ekd s ARG 144 Ca 0.00 1.14 0.10 0.00 -0.47 0.00 0.00 55.73 56.50 2ekd s ARG 144 Cb 0.00 -3.82 0.50 0.00 -0.57 0.00 0.00 34.95 31.06 2ekd s ARG 144 CO 0.00 -1.04 1.19 0.39 -1.08 0.00 0.00 175.30 174.76 2ekd n GLU 145 N 7.15 0.15 0.07 3.89 1.02 -1.26 -2.96 120.64 128.70 2ekd n GLU 145 Ca 0.13 0.18 0.10 0.00 -0.02 0.00 0.00 57.16 57.56 2ekd n GLU 145 Cb 0.47 -1.50 0.41 0.00 -0.02 0.00 0.00 31.44 30.80 2ekd n GLU 145 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2ekd n GLU 146 N -1.27 0.11 -3.87 3.49 0.00 -1.26 -4.44 120.64 113.39 2ekd n GLU 146 Ca 0.05 0.34 -0.09 0.00 0.00 0.00 0.00 57.16 57.46 2ekd n GLU 146 Cb 0.08 -1.70 -0.01 0.00 0.00 0.00 0.00 31.44 29.81 2ekd n GLU 146 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 2ekd s ARG 147 N -3.17 1.98 -0.20 3.44 3.03 -1.16 -0.60 118.95 122.27 2ekd s ARG 147 Ca 0.06 -1.29 -0.00 0.00 2.03 0.00 0.00 55.73 56.53 2ekd s ARG 147 Cb 0.09 0.59 0.05 0.00 -1.03 0.00 0.00 34.95 34.65 2ekd s ARG 147 CO 0.34 -0.90 -0.05 0.42 -1.13 0.00 0.00 175.30 173.98 2ekd s ILE 148 N -3.13 1.27 -0.02 4.99 1.01 -0.78 -0.79 121.20 123.75 2ekd s ILE 148 Ca 0.16 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 2ekd s ILE 148 Cb -0.05 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.85 2ekd s ILE 148 CO 0.10 -0.01 0.40 0.00 0.00 0.00 0.00 174.94 175.43 2ekd s ALA 149 N 1.53 3.68 -0.32 9.38 0.00 -0.88 -0.62 121.76 134.54 2ekd s ALA 149 Ca -0.03 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.72 2ekd s ALA 149 Cb -0.17 -2.39 0.09 0.00 0.00 0.00 0.00 23.12 20.65 2ekd s ALA 149 CO -0.07 0.43 0.02 -0.06 0.00 0.00 0.00 175.76 176.07 2ekd s PHE 150 N -0.86 3.41 -0.52 0.00 0.08 -0.00 -0.09 117.98 120.00 2ekd s PHE 150 Ca 0.23 -2.69 -0.23 0.00 0.12 0.00 0.00 56.93 54.36 2ekd s PHE 150 Cb -0.16 -2.55 0.04 0.00 -0.57 0.00 0.00 43.02 39.78 2ekd s PHE 150 CO 0.12 -0.92 0.85 0.71 -0.10 0.00 0.00 175.22 175.89 2ekd s TYR 151 N 1.03 2.88 -0.42 0.36 1.51 0.73 -0.39 117.35 123.05 2ekd s TYR 151 Ca 0.06 -0.08 -0.28 0.00 -1.01 0.00 0.00 57.07 55.76 2ekd s TYR 151 Cb -0.19 -3.90 0.02 0.00 -0.11 0.00 0.00 41.96 37.78 2ekd s TYR 151 CO -0.09 -1.23 1.04 -0.06 -1.11 0.00 0.00 175.55 174.10 2ekd s PHE 152 N 3.58 2.96 -0.02 2.71 0.40 -0.40 0.08 117.98 127.29 2ekd s PHE 152 Ca 0.27 0.76 0.05 0.00 -0.60 0.00 0.00 56.93 57.41 2ekd s PHE 152 Cb -0.14 -4.02 -0.01 0.00 0.51 0.00 0.00 43.02 39.36 2ekd s PHE 152 CO 0.18 -1.04 -0.16 0.14 0.70 0.00 0.00 175.22 175.04 2ekd s VAL 153 N 3.94 1.31 -0.71 -0.44 -7.23 0.23 -3.86 120.40 113.65 2ekd s VAL 153 Ca 0.43 -0.70 -0.27 0.00 -1.81 0.00 0.00 61.98 59.63 2ekd s VAL 153 Cb -0.10 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 35.78 2ekd s VAL 153 CO 0.24 0.37 1.24 0.21 -0.31 0.00 0.00 175.10 176.85 2ekd s ASN 154 N -0.31 6.20 0.18 4.85 3.84 -1.26 -1.35 114.94 127.10 2ekd s ASN 154 Ca 0.05 -0.41 -0.16 0.00 0.21 0.00 0.00 52.86 52.54 2ekd s ASN 154 Cb -0.07 -2.55 0.14 0.00 -0.55 0.00 0.00 41.25 38.22 2ekd s ASN 154 CO -0.00 -1.75 1.65 -0.09 -2.79 0.00 0.00 177.10 174.12 2ekd h ARG 155 N 9.91 -0.03 -0.77 0.43 2.43 -1.61 -2.57 114.38 122.18 2ekd h ARG 155 Ca -0.28 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 2ekd h ARG 155 Cb 1.05 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 2ekd h ARG 155 CO 1.26 -0.02 0.51 -0.91 -1.51 0.00 0.00 179.97 179.29 2ekd h ASN 156 N -0.03 0.84 -0.57 -3.80 2.35 -1.91 0.22 115.58 112.69 2ekd h ASN 156 Ca 0.23 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2ekd h ASN 156 Cb 0.38 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 2ekd h ASN 156 CO -0.51 0.59 0.33 0.58 -1.65 0.00 0.00 177.43 176.77 2ekd h VAL 157 N 0.98 1.18 -0.03 2.81 2.07 -1.83 0.81 116.25 122.24 2ekd h VAL 157 Ca 0.30 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2ekd h VAL 157 Cb -0.02 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2ekd h VAL 157 CO -0.08 0.19 -0.26 0.40 0.02 0.00 0.00 177.57 177.83 2ekd h ILE 158 N 0.76 1.48 -0.36 4.57 2.04 -1.31 -2.68 117.51 122.03 2ekd h ILE 158 Ca 0.20 -1.80 0.06 0.00 1.00 0.00 0.00 64.86 64.33 2ekd h ILE 158 Cb 0.01 2.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 2ekd h ILE 158 CO -0.04 0.50 0.02 -0.08 0.00 0.00 0.00 178.15 178.55 2ekd h GLU 159 N -0.35 0.12 0.00 2.37 4.57 -0.50 0.11 114.58 120.90 2ekd h GLU 159 Ca -0.02 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 2ekd h GLU 159 Cb 0.96 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 2ekd h GLU 159 CO 0.05 0.08 -0.28 0.87 -1.18 0.00 0.00 179.01 178.55 2ekd h LYS 160 N 0.12 0.00 0.05 1.92 1.57 -0.94 -2.33 116.57 116.96 2ekd h LYS 160 Ca 0.17 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2ekd h LYS 160 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.55 2ekd h LYS 160 CO -0.27 0.28 -0.35 1.25 -0.57 0.00 0.00 179.45 179.79 2ekd h HIS 161 N 0.00 0.20 -1.26 -1.35 2.76 -1.09 -3.45 115.15 110.95 2ekd h HIS 161 Ca -0.00 -0.14 -0.10 0.00 -2.20 0.00 0.00 60.37 57.92 2ekd h HIS 161 Cb 0.97 -0.01 -0.23 0.00 1.55 0.00 0.00 27.41 29.70 2ekd h HIS 161 CO 0.00 1.13 -0.48 0.45 -1.30 0.00 0.00 177.93 177.74 2ekd s SER 162 N -6.52 -0.83 0.28 3.26 0.15 0.35 -5.03 113.70 105.36 2ekd s SER 162 Ca -0.17 -0.52 0.02 0.00 0.70 0.00 0.00 55.95 55.98 2ekd s SER 162 Cb -0.01 1.63 0.59 0.00 -1.71 0.00 0.00 66.02 66.52 2ekd s SER 162 CO 0.74 -0.26 1.81 -1.28 1.20 0.00 0.00 173.24 175.45 2ekd h SER 163 N 7.54 0.86 -0.77 5.45 0.87 -1.54 -1.68 113.55 124.27 2ekd h SER 163 Ca 0.01 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 2ekd h SER 163 Cb 1.15 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.96 2ekd h SER 163 CO 0.16 0.42 0.49 -0.65 -0.53 0.00 0.00 176.83 176.72 2ekd h PRO 164 N 0.91 0.94 -0.95 2.24 0.11 -1.91 -2.46 132.00 130.87 2ekd h PRO 164 Ca 0.51 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.61 2ekd h PRO 164 Cb 0.60 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 31.44 2ekd h PRO 164 CO -0.30 0.62 0.62 0.82 -0.21 0.00 0.00 178.00 179.55 2ekd h ILE 165 N 0.97 1.15 -0.34 4.15 1.08 -1.66 -1.00 117.51 121.85 2ekd h ILE 165 Ca 0.31 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2ekd h ILE 165 Cb 0.01 -0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 33.59 2ekd h ILE 165 CO -0.11 0.22 0.19 0.25 -0.69 0.00 0.00 178.15 178.01 2ekd h LEU 166 N 1.19 0.43 -1.16 1.44 5.85 -1.27 -0.55 115.31 121.23 2ekd h LEU 166 Ca 0.38 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 2ekd h LEU 166 Cb 0.03 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2ekd h LEU 166 CO -0.13 0.39 0.35 0.44 -0.34 0.00 0.00 178.44 179.15 2ekd h ASP 167 N 0.43 0.83 -0.49 1.25 3.32 -1.09 -0.41 116.42 120.27 2ekd h ASP 167 Ca 0.12 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 2ekd h ASP 167 Cb 0.06 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2ekd h ASP 167 CO -0.02 0.69 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.08 2ekd h LEU 168 N 0.94 0.88 -0.32 1.55 3.38 -0.82 -2.21 115.31 118.71 2ekd h LEU 168 Ca 0.24 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2ekd h LEU 168 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2ekd h LEU 168 CO -0.04 0.99 0.14 0.25 0.09 0.00 0.00 178.44 179.87 2ekd h LEU 169 N 0.74 0.43 -1.78 1.67 6.46 -0.48 -2.34 115.31 120.00 2ekd h LEU 169 Ca 0.13 -0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 2ekd h LEU 169 Cb 0.56 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 2ekd h LEU 169 CO 0.03 0.46 -0.16 -0.33 -0.62 0.00 0.00 178.44 177.82 2ekd h GLU 170 N 0.37 0.00 -0.13 1.25 5.08 -1.04 -2.97 114.58 117.14 2ekd h GLU 170 Ca 0.11 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2ekd h GLU 170 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2ekd h GLU 170 CO -0.01 0.16 -0.22 1.49 -1.00 0.00 0.00 179.01 179.42 2ekd h GLU 171 N 0.00 0.38 0.00 2.33 4.81 -0.89 -3.31 114.58 117.90 2ekd h GLU 171 Ca -0.00 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2ekd h GLU 171 Cb 0.35 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2ekd h GLU 171 CO 0.02 0.83 -0.07 -0.39 -0.73 0.00 0.00 179.01 178.67 2ekd h VAL 172 N -0.03 0.15 -4.21 0.32 -1.51 -1.30 -3.45 116.25 106.22 2ekd h VAL 172 Ca 0.01 -0.88 -0.50 0.00 -1.23 0.00 0.00 66.70 64.10 2ekd h VAL 172 Cb 0.80 1.77 0.06 0.00 -2.13 0.00 0.00 31.29 31.79 2ekd h VAL 172 CO 0.05 0.07 0.35 0.68 -1.23 0.00 0.00 177.57 177.49 2ekd s VAL 173 N -3.48 4.29 -0.13 7.19 -7.23 -1.16 -4.86 120.40 115.04 2ekd s VAL 173 Ca 0.03 0.59 0.17 0.00 -1.81 0.00 0.00 61.98 60.96 2ekd s VAL 173 Cb 0.08 -3.72 -0.14 0.00 0.56 0.00 0.00 36.38 33.16 2ekd s VAL 173 CO 0.61 -0.89 0.79 0.35 -0.31 0.00 0.00 175.10 175.65 2ekd n THR 174 N -2.74 1.15 -3.87 5.32 -2.24 -0.39 -4.95 114.28 106.57 2ekd n THR 174 Ca 0.05 -0.69 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 2ekd n THR 174 Cb 0.55 -0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 67.98 2ekd n THR 174 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2ekd s SER 175 N -5.72 0.01 -0.07 3.42 0.01 -1.09 -3.71 113.70 106.55 2ekd s SER 175 Ca -0.03 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.10 2ekd s SER 175 Cb 0.09 0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.55 2ekd s SER 175 CO 0.81 -0.31 -0.10 -0.63 0.41 0.00 0.00 173.24 173.43 2ekd s ILE 176 N -1.12 0.98 -0.04 1.44 1.01 -0.76 -0.74 121.20 121.97 2ekd s ILE 176 Ca -0.12 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.22 2ekd s ILE 176 Cb -0.07 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2ekd s ILE 176 CO 0.01 0.33 -0.20 -0.76 0.00 0.00 0.00 174.94 174.32 2ekd s LEU 177 N 0.92 2.40 -0.14 2.97 1.43 0.79 -1.33 118.68 125.73 2ekd s LEU 177 Ca -0.10 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2ekd s LEU 177 Cb -0.15 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.64 2ekd s LEU 177 CO 0.01 0.33 -0.12 -0.70 0.23 0.00 0.00 176.35 176.10 2ekd s GLU 178 N -0.65 2.03 -0.07 1.70 2.12 0.87 -0.47 118.70 124.23 2ekd s GLU 178 Ca 0.10 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 2ekd s GLU 178 Cb -0.10 -1.93 -0.02 0.00 0.26 0.00 0.00 34.13 32.34 2ekd s GLU 178 CO -0.00 -0.25 1.00 0.42 -0.54 0.00 0.00 175.26 175.89 2ekd s ILE 179 N 1.56 4.80 0.31 -3.70 1.01 -0.39 -0.11 121.20 124.68 2ekd s ILE 179 Ca 0.05 2.05 0.03 0.00 0.00 0.00 0.00 60.65 62.77 2ekd s ILE 179 Cb -0.13 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 2ekd s ILE 179 CO -0.10 0.05 0.13 0.42 0.00 0.00 0.00 174.94 175.44 2ekd s THR 180 N 1.72 0.53 0.39 2.92 -4.23 -0.08 -4.78 115.64 112.11 2ekd s THR 180 Ca 0.49 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.10 2ekd s THR 180 Cb -0.19 -2.56 0.16 0.00 1.34 0.00 0.00 72.50 71.25 2ekd s THR 180 CO 0.21 0.00 1.92 0.44 -0.54 0.00 0.00 174.62 176.65 2ekd h ASP 181 N 2.18 0.24 0.11 3.99 3.32 -1.97 -2.50 116.42 121.79 2ekd h ASP 181 Ca -0.36 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2ekd h ASP 181 Cb 1.25 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2ekd h ASP 181 CO 0.57 0.39 -0.11 -1.54 -1.72 0.00 0.00 179.24 176.83 2ekd n SER 182 N -4.28 1.21 0.00 6.45 3.41 -1.26 -5.03 113.62 114.12 2ekd n SER 182 Ca -0.01 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2ekd n SER 182 Cb 0.26 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2ekd n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ekd n GLY 183 N 1.24 0.89 3.61 5.00 0.00 -0.94 -4.88 105.19 110.10 2ekd n GLY 183 Ca 0.16 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 2ekd n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ekd s ILE 184 N -1.85 5.21 -0.04 -0.61 1.01 0.48 -0.90 121.20 124.49 2ekd s ILE 184 Ca 0.00 0.48 -0.19 0.00 0.00 0.00 0.00 60.65 60.95 2ekd s ILE 184 Cb 0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2ekd s ILE 184 CO 0.00 0.19 0.53 -0.63 0.00 0.00 0.00 174.94 175.02 2ekd s ILE 185 N 1.94 5.02 -0.90 2.92 1.01 0.84 -1.16 121.20 130.88 2ekd s ILE 185 Ca 0.13 1.09 -0.15 0.00 0.00 0.00 0.00 60.65 61.72 2ekd s ILE 185 Cb -0.16 -3.86 0.19 0.00 0.01 0.00 0.00 42.46 38.64 2ekd s ILE 185 CO 0.10 0.41 0.94 -0.63 0.00 0.00 0.00 174.94 175.76 2ekd s ILE 186 N -0.04 5.31 0.37 2.92 1.01 -0.34 -0.09 121.20 130.33 2ekd s ILE 186 Ca 0.28 -2.23 0.12 0.00 0.00 0.00 0.00 60.65 58.83 2ekd s ILE 186 Cb -0.17 -4.61 0.09 0.00 0.01 0.00 0.00 42.46 37.79 2ekd s ILE 186 CO 0.14 -1.23 1.82 0.11 0.00 0.00 0.00 174.94 175.78 2ekd h LYS 187 N 8.05 0.02 -2.98 2.79 1.57 -1.52 0.18 116.57 124.68 2ekd h LYS 187 Ca 0.14 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2ekd h LYS 187 Cb 1.02 -0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.12 2ekd h LYS 187 CO 0.91 0.38 -0.26 0.21 -0.57 0.00 0.00 179.45 180.12 2ekd s LYS 188 N -4.21 0.65 0.00 3.15 2.20 -1.14 -4.66 119.74 115.73 2ekd s LYS 188 Ca -0.03 -0.09 -0.28 0.00 -0.36 0.00 0.00 55.97 55.21 2ekd s LYS 188 Cb 0.14 0.29 0.09 0.00 -1.51 0.00 0.00 37.83 36.84 2ekd s LYS 188 CO 0.73 -0.17 0.74 0.45 -0.36 0.00 0.00 175.35 176.74 2ekd s SER 189 N -1.13 -0.53 0.27 1.43 0.15 -1.26 -1.83 113.70 110.80 2ekd s SER 189 Ca -0.12 0.33 0.10 0.00 0.70 0.00 0.00 55.95 56.96 2ekd s SER 189 Cb -0.05 0.49 0.35 0.00 -1.71 0.00 0.00 66.02 65.10 2ekd s SER 189 CO 0.04 -0.68 1.61 0.40 1.20 0.00 0.00 173.24 175.81 2ekd h ILE 190 N 2.45 1.44 -2.92 6.45 2.04 -1.93 -3.40 117.51 121.64 2ekd h ILE 190 Ca -0.27 -2.12 -0.71 0.00 1.00 0.00 0.00 64.86 62.77 2ekd h ILE 190 Cb 1.21 2.14 -0.20 0.00 -0.74 0.00 0.00 36.82 39.23 2ekd h ILE 190 CO 0.36 0.61 0.23 -0.54 0.00 0.00 0.00 178.15 178.81 2ekd s LYS 191 N -3.61 3.18 0.55 2.37 1.02 -1.26 -4.91 119.74 117.07 2ekd s LYS 191 Ca -0.01 -1.48 0.39 0.00 0.02 0.00 0.00 55.97 54.88 2ekd s LYS 191 Cb 0.13 -4.37 1.58 0.00 -0.52 0.00 0.00 37.83 34.64 2ekd s LYS 191 CO 0.76 -1.56 1.76 -0.44 -0.92 0.00 0.00 175.35 174.96 2ekd h ASP 192 N 9.01 0.00 -0.22 2.83 3.32 -1.97 -0.53 116.42 128.85 2ekd h ASP 192 Ca -0.19 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2ekd h ASP 192 Cb 1.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 2ekd h ASP 192 CO 1.07 0.00 0.13 -0.08 -1.72 0.00 0.00 179.24 178.64 2ekd h GLU 193 N 0.00 0.33 0.00 3.56 4.81 -1.96 -3.06 114.58 118.26 2ekd h GLU 193 Ca 0.62 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 2ekd h GLU 193 Cb 2.51 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.82 2ekd h GLU 193 CO -0.01 0.25 -1.54 0.44 -0.73 0.00 0.00 179.01 177.43 2ekd n ILE 194 N -4.46 0.00 -1.67 2.32 -5.35 -0.22 -4.92 119.36 105.05 2ekd n ILE 194 Ca 0.01 -0.29 -0.45 0.00 -0.27 0.00 0.00 62.75 61.75 2ekd n ILE 194 Cb 0.10 0.43 -0.03 0.00 -1.74 0.00 0.00 39.64 38.40 2ekd n ILE 194 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ekd n ALA 195 N -1.91 1.35 -0.01 -1.28 0.00 -1.15 -1.33 120.51 116.17 2ekd n ALA 195 Ca -0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2ekd n ALA 195 Cb 0.45 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2ekd n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ekd n GLY 196 N 2.85 2.21 3.87 0.00 0.00 0.63 -5.03 105.19 109.72 2ekd n GLY 196 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2ekd n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ekd s LYS 197 N -0.26 3.73 -0.08 1.61 -0.14 -0.44 -4.76 119.74 119.40 2ekd s LYS 197 Ca 0.00 0.62 0.04 0.00 -1.36 0.00 0.00 55.97 55.27 2ekd s LYS 197 Cb 0.00 -2.24 -0.01 0.00 -1.68 0.00 0.00 37.83 33.90 2ekd s LYS 197 CO 0.00 -0.28 -0.19 0.42 -0.76 0.00 0.00 175.35 174.54 2ekd s ILE 198 N -2.73 2.57 0.23 2.17 1.01 -1.26 -1.20 121.20 121.99 2ekd s ILE 198 Ca 0.54 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 60.40 2ekd s ILE 198 Cb -0.10 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 2ekd s ILE 198 CO 0.40 0.56 -0.13 0.68 0.00 0.00 0.00 174.94 176.45 2ekd s VAL 199 N -0.09 1.85 -0.48 2.92 -7.23 -0.31 -4.93 120.40 112.14 2ekd s VAL 199 Ca -0.04 -2.23 0.08 0.00 -1.81 0.00 0.00 61.98 57.98 2ekd s VAL 199 Cb -0.14 -2.18 0.27 0.00 0.56 0.00 0.00 36.38 34.89 2ekd s VAL 199 CO 0.04 -0.50 0.64 -1.20 -0.31 0.00 0.00 175.10 173.77 2ekd n SER 200 N -0.47 1.59 0.24 4.85 7.64 -1.26 -0.39 113.62 125.83 2ekd n SER 200 Ca -0.07 -3.01 0.17 0.00 1.01 0.00 0.00 58.87 56.97 2ekd n SER 200 Cb 0.61 -0.64 0.88 0.00 -1.01 0.00 0.00 64.21 64.05 2ekd n SER 200 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2ekd h PRO 201 N 3.89 0.00 -0.11 1.43 0.13 -1.98 -2.57 132.00 132.79 2ekd h PRO 201 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2ekd h PRO 201 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2ekd h PRO 201 CO 0.60 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.65 2ekd n LEU 202 N -3.72 0.11 -4.64 1.56 4.77 -1.26 -4.73 117.00 109.10 2ekd n LEU 202 Ca -0.00 -0.06 -0.37 0.00 -0.03 0.00 0.00 56.01 55.55 2ekd n LEU 202 Cb 0.25 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 2ekd n LEU 202 CO 0.26 0.03 -0.13 -0.76 -1.33 0.00 0.00 177.39 175.47 2ekd s LEU 203 N -0.86 4.08 0.00 2.23 1.43 -0.97 -5.19 118.68 119.41 2ekd s LEU 203 Ca 0.00 0.13 0.30 0.00 -1.03 0.00 0.00 54.13 53.53 2ekd s LEU 203 Cb 0.00 -2.18 1.39 0.00 0.03 0.00 0.00 46.19 45.44 2ekd s LEU 203 CO 0.00 -0.00 1.94 0.59 0.23 0.00 0.00 176.35 179.10