#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 0.40 0.75 6.41 4.64 -1.93 0.35 113.55 124.17 2ekd h SER 3 Ca 0.00 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 2ekd h SER 3 Cb 0.00 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 2ekd h SER 3 CO 0.00 0.47 -0.19 1.05 -0.87 0.00 0.00 176.83 177.28 2ekd h GLU 4 N 0.42 0.00 0.18 4.77 -0.00 -2.00 -2.56 114.58 115.39 2ekd h GLU 4 Ca 0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 59.15 2ekd h GLU 4 Cb 0.28 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.04 2ekd h GLU 4 CO 0.01 0.19 -1.47 -0.22 -0.00 0.00 0.00 179.01 177.51 2ekd h LYS 5 N 0.00 0.39 -0.71 1.06 3.11 -1.49 -3.18 116.57 115.74 2ekd h LYS 5 Ca -0.00 -0.66 0.05 0.00 -2.81 0.00 0.00 60.65 57.23 2ekd h LYS 5 Cb 0.62 0.25 -0.05 0.00 -1.00 0.00 0.00 32.23 32.04 2ekd h LYS 5 CO 0.02 1.32 0.42 0.35 -2.81 0.00 0.00 179.45 178.75 2ekd h PHE 6 N -0.04 0.77 0.00 1.91 3.57 -0.82 -1.19 116.94 121.14 2ekd h PHE 6 Ca -0.29 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.21 2ekd h PHE 6 Cb 1.98 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 40.47 2ekd h PHE 6 CO 0.13 0.39 -0.14 0.74 -2.23 0.00 0.00 178.31 177.20 2ekd h PHE 7 N 0.78 0.00 0.00 0.41 0.04 -1.58 -2.47 116.94 114.11 2ekd h PHE 7 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 2ekd h PHE 7 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2ekd h PHE 7 CO -0.06 0.14 0.00 0.87 -0.60 0.00 0.00 178.31 178.66 2ekd h LYS 8 N 0.00 0.00 0.00 1.51 1.79 -1.19 -2.14 116.57 116.54 2ekd h LYS 8 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ekd h LYS 8 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2ekd h LYS 8 CO 0.02 0.00 0.00 -0.07 -1.08 0.00 0.00 179.45 178.32 2ekd h LEU 9 N 0.00 0.00 -9.04 2.94 3.38 -1.40 -3.43 115.31 107.76 2ekd h LEU 9 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2ekd h LEU 9 Cb 0.43 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.02 2ekd h LEU 9 CO 0.00 0.00 -0.78 -0.36 0.09 0.00 0.00 178.44 177.39 2ekd s PHE 10 N -3.82 2.13 0.16 1.13 0.08 -0.80 -4.90 117.98 111.94 2ekd s PHE 10 Ca -0.02 -0.40 0.10 0.00 0.12 0.00 0.00 56.93 56.74 2ekd s PHE 10 Cb 0.10 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 2ekd s PHE 10 CO 0.42 0.52 -0.24 -0.98 -0.10 0.00 0.00 175.22 174.85 2ekd s ARG 11 N -3.10 1.39 0.25 0.44 1.70 -1.26 -4.99 118.95 113.37 2ekd s ARG 11 Ca 0.23 -1.40 -0.30 0.00 -0.47 0.00 0.00 55.73 53.79 2ekd s ARG 11 Cb -0.06 -1.72 -0.14 0.00 -0.57 0.00 0.00 34.95 32.46 2ekd s ARG 11 CO 0.11 0.39 1.12 0.28 -1.08 0.00 0.00 175.30 176.11 2ekd n VAL 12 N 0.60 1.50 0.00 4.99 0.31 -1.26 -1.74 118.33 122.73 2ekd n VAL 12 Ca -0.15 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 2ekd n VAL 12 Cb 0.55 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 2ekd n VAL 12 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ekd n GLY 13 N 1.59 2.25 3.78 2.92 0.00 -0.04 -4.80 105.19 110.89 2ekd n GLY 13 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.91 2.81 -0.21 1.61 2.02 -0.71 0.55 118.70 123.87 2ekd s GLU 14 Ca 0.00 1.27 0.01 0.00 0.02 0.00 0.00 54.97 56.27 2ekd s GLU 14 Cb 0.00 -1.96 0.05 0.00 0.10 0.00 0.00 34.13 32.32 2ekd s GLU 14 CO 0.00 -1.22 -0.08 0.99 0.02 0.00 0.00 175.26 174.97 2ekd s THR 15 N -2.53 1.55 -0.21 3.63 2.01 -1.26 -1.63 115.64 117.20 2ekd s THR 15 Ca 0.64 -1.06 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 2ekd s THR 15 Cb -0.18 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 2ekd s THR 15 CO 0.44 0.05 0.06 -0.69 -0.69 0.00 0.00 174.62 173.80 2ekd s VAL 16 N 1.42 4.53 -0.27 3.82 1.01 0.23 -1.94 120.40 129.19 2ekd s VAL 16 Ca -0.03 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 2ekd s VAL 16 Cb -0.17 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 2ekd s VAL 16 CO -0.07 0.41 0.52 -0.22 0.00 0.00 0.00 175.10 175.73 2ekd s LEU 17 N 0.90 4.09 -0.46 3.92 2.96 -0.38 0.08 118.68 129.77 2ekd s LEU 17 Ca 0.03 0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 54.29 2ekd s LEU 17 Cb -0.14 -2.65 0.11 0.00 0.50 0.00 0.00 46.19 44.01 2ekd s LEU 17 CO 0.03 -0.32 0.34 -0.69 -1.32 0.00 0.00 176.35 174.39 2ekd s VAL 18 N 2.33 4.35 -0.07 1.68 1.01 0.19 -0.45 120.40 129.44 2ekd s VAL 18 Ca 0.21 -1.63 -0.20 0.00 0.00 0.00 0.00 61.98 60.36 2ekd s VAL 18 Cb -0.16 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2ekd s VAL 18 CO 0.10 -0.71 0.55 -1.61 0.00 0.00 0.00 175.10 173.43 2ekd s GLU 19 N 1.41 4.33 0.31 2.72 2.02 0.27 -0.83 118.70 128.93 2ekd s GLU 19 Ca 0.05 0.62 0.01 0.00 0.02 0.00 0.00 54.97 55.67 2ekd s GLU 19 Cb -0.26 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.56 2ekd s GLU 19 CO 0.01 0.23 0.35 1.52 0.02 0.00 0.00 175.26 177.38 2ekd s TYR 20 N 0.33 1.33 0.36 1.61 -0.85 -0.58 -1.24 117.35 118.31 2ekd s TYR 20 Ca 0.30 -1.43 0.03 0.00 -0.52 0.00 0.00 57.07 55.45 2ekd s TYR 20 Cb -0.17 -0.40 -0.04 0.00 0.38 0.00 0.00 41.96 41.74 2ekd s TYR 20 CO 0.14 -0.95 0.11 -1.54 -1.52 0.00 0.00 175.55 171.79 2ekd s SER 21 N -3.27 2.31 0.55 -0.18 1.04 -1.26 -1.09 113.70 111.80 2ekd s SER 21 Ca 0.36 -1.55 0.23 0.00 0.48 0.00 0.00 55.95 55.46 2ekd s SER 21 Cb 0.02 0.31 1.52 0.00 0.10 0.00 0.00 66.02 67.96 2ekd s SER 21 CO 0.22 -0.83 2.16 1.23 0.98 0.00 0.00 173.24 177.00 2ekd h GLY 22 N 2.00 0.00 -0.69 7.32 0.00 -2.00 -1.80 103.07 107.90 2ekd h GLY 22 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2ekd h GLY 22 CO 0.59 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.83 2ekd n THR 23 N -4.20 0.01 0.16 4.70 -2.24 -1.26 -4.26 114.28 107.20 2ekd n THR 23 Ca -0.01 -0.29 0.04 0.00 -2.27 0.00 0.00 64.05 61.51 2ekd n THR 23 Cb 0.17 0.64 0.18 0.00 -2.10 0.00 0.00 70.33 69.21 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 2.69 0.00 -5.80 3.42 0.02 -1.69 -3.48 113.55 108.71 2ekd h SER 24 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2ekd h SER 24 Cb 0.57 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.24 2ekd h SER 24 CO 0.00 0.46 -0.82 0.54 -1.14 0.00 0.00 176.83 175.87 2ekd n ARG 25 N -3.37 -4.67 0.33 3.45 1.74 -1.26 -4.82 116.66 108.05 2ekd n ARG 25 Ca 0.01 0.75 0.19 0.00 -0.77 0.00 0.00 57.85 58.03 2ekd n ARG 25 Cb 0.63 -5.49 1.04 0.00 -1.02 0.00 0.00 32.46 27.61 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 0.67 1.19 0.00 7.54 0.00 -1.92 -1.86 119.26 124.88 2ekd h ALA 26 Ca -0.61 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2ekd h ALA 26 Cb 1.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2ekd h ALA 26 CO 0.51 -0.16 -0.00 1.05 0.00 0.00 0.00 179.25 180.65 2ekd h GLU 27 N 0.00 0.00 -0.70 0.00 9.09 -1.93 -2.02 114.58 119.02 2ekd h GLU 27 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 2ekd h GLU 27 Cb 0.31 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.38 2ekd h GLU 27 CO -0.00 0.00 0.15 -0.07 0.05 0.00 0.00 179.01 179.14 2ekd h LEU 28 N 0.00 1.08 -0.39 3.06 3.38 -1.68 -0.35 115.31 120.42 2ekd h LEU 28 Ca -0.00 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 2ekd h LEU 28 Cb 0.01 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2ekd h LEU 28 CO 0.00 1.05 -0.44 0.25 0.09 0.00 0.00 178.44 179.39 2ekd h LEU 29 N 1.07 0.96 -0.53 1.67 5.85 -1.57 -1.58 115.31 121.18 2ekd h LEU 29 Ca 0.22 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2ekd h LEU 29 Cb 0.41 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2ekd h LEU 29 CO 0.01 1.26 0.35 0.25 -0.34 0.00 0.00 178.44 179.96 2ekd h LEU 30 N 0.72 0.61 -0.73 2.25 5.85 -1.15 -0.79 115.31 122.06 2ekd h LEU 30 Ca 0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2ekd h LEU 30 Cb 1.03 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 2ekd h LEU 30 CO 0.10 0.44 0.46 0.22 -0.34 0.00 0.00 178.44 179.33 2ekd h TYR 31 N 0.72 0.94 -0.34 1.25 3.20 -0.95 -0.64 116.97 121.14 2ekd h TYR 31 Ca 0.19 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.09 2ekd h TYR 31 Cb -0.08 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.85 2ekd h TYR 31 CO -0.04 0.61 0.19 -0.92 -1.64 0.00 0.00 178.16 176.37 2ekd h TYR 32 N 0.99 0.36 -0.55 -3.82 3.20 -0.68 0.18 116.97 116.66 2ekd h TYR 32 Ca 0.26 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 2ekd h TYR 32 Cb -0.08 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 2ekd h TYR 32 CO -0.02 0.21 0.06 0.82 -1.64 0.00 0.00 178.16 177.59 2ekd h ILE 33 N 0.40 1.26 -0.29 1.81 2.04 -0.81 -1.60 117.51 120.32 2ekd h ILE 33 Ca 0.14 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 64.89 2ekd h ILE 33 Cb 0.01 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2ekd h ILE 33 CO -0.07 0.37 -0.14 0.58 0.00 0.00 0.00 178.15 178.89 2ekd h VAL 34 N 0.81 1.29 0.00 1.67 2.07 -0.87 -2.26 116.25 118.96 2ekd h VAL 34 Ca 0.16 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 2ekd h VAL 34 Cb 0.46 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2ekd h VAL 34 CO 0.02 0.39 -0.01 -1.13 0.02 0.00 0.00 177.57 176.86 2ekd h ASN 35 N 0.36 0.00 -0.00 0.57 -1.24 -0.63 -3.32 115.58 111.31 2ekd h ASN 35 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2ekd h ASN 35 Cb 0.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.71 2ekd h ASN 35 CO 0.04 0.01 -0.43 0.59 -1.29 0.00 0.00 177.43 176.35 2ekd n ASN 36 N -3.10 0.73 -4.74 1.15 3.02 -0.61 -4.98 115.26 106.74 2ekd n ASN 36 Ca 0.03 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.30 2ekd n ASN 36 Cb 0.50 0.85 -0.03 0.00 -0.61 0.00 0.00 39.78 40.50 2ekd n ASN 36 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2ekd s SER 37 N -1.86 6.69 0.00 6.41 0.15 -0.85 -4.85 113.70 119.40 2ekd s SER 37 Ca 0.06 2.60 0.24 0.00 0.70 0.00 0.00 55.95 59.55 2ekd s SER 37 Cb 0.08 -2.62 0.24 0.00 -1.71 0.00 0.00 66.02 62.02 2ekd s SER 37 CO 0.39 -0.69 1.25 0.29 1.20 0.00 0.00 173.24 175.68 2ekd n LYS 38 N 2.64 1.15 -3.29 5.44 4.01 -1.26 -4.94 118.16 121.92 2ekd n LYS 38 Ca 0.08 -0.89 -0.19 0.00 -0.51 0.00 0.00 58.31 56.80 2ekd n LYS 38 Cb 0.40 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.45 2ekd n LYS 38 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ekd s LEU 39 N -2.46 3.85 0.69 -0.35 1.43 -1.26 -5.09 118.68 115.49 2ekd s LEU 39 Ca 0.21 -0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 2ekd s LEU 39 Cb 0.19 -2.80 0.02 0.00 0.03 0.00 0.00 46.19 43.62 2ekd s LEU 39 CO 0.54 -0.55 1.20 -2.84 0.23 0.00 0.00 176.35 174.93 2ekd s PRO 40 N -4.28 2.42 -0.17 1.29 0.02 -1.26 -4.74 135.00 128.28 2ekd s PRO 40 Ca 0.48 1.74 -0.04 0.00 0.02 0.00 0.00 61.00 63.20 2ekd s PRO 40 Cb -0.10 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 2ekd s PRO 40 CO 0.33 -1.62 -0.04 0.42 -0.33 0.00 0.00 177.00 175.76 2ekd s ILE 41 N -1.91 3.78 -0.23 2.83 -1.09 -1.26 -1.60 121.20 121.71 2ekd s ILE 41 Ca 0.74 -0.39 -0.00 0.00 -2.23 0.00 0.00 60.65 58.78 2ekd s ILE 41 Cb -0.29 -2.67 0.06 0.00 -1.58 0.00 0.00 42.46 37.99 2ekd s ILE 41 CO 0.42 0.47 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.90 2ekd s VAL 42 N 0.60 1.27 -0.14 2.92 1.01 -0.50 -2.17 120.40 123.39 2ekd s VAL 42 Ca -0.03 -1.12 -0.14 0.00 0.00 0.00 0.00 61.98 60.70 2ekd s VAL 42 Cb -0.14 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 2ekd s VAL 42 CO 0.02 -0.19 0.30 -0.69 0.00 0.00 0.00 175.10 174.54 2ekd s VAL 43 N 1.50 5.29 -0.45 2.92 1.01 0.40 -3.15 120.40 127.92 2ekd s VAL 43 Ca -0.03 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2ekd s VAL 43 Cb -0.18 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2ekd s VAL 43 CO -0.08 0.42 0.46 -1.81 0.00 0.00 0.00 175.10 174.10 2ekd s ASP 44 N 0.20 6.19 -0.53 3.32 1.01 -0.04 -0.75 116.67 126.07 2ekd s ASP 44 Ca 0.17 -0.84 -0.17 0.00 0.71 0.00 0.00 52.55 52.42 2ekd s ASP 44 Cb -0.13 -2.23 0.10 0.00 1.01 0.00 0.00 42.92 41.67 2ekd s ASP 44 CO 0.05 -0.65 0.51 -0.62 0.21 0.00 0.00 175.17 174.67 2ekd s ASP 45 N 2.12 6.18 -0.27 0.27 2.15 -0.20 -1.53 116.67 125.39 2ekd s ASP 45 Ca 0.11 -1.54 -0.18 0.00 0.43 0.00 0.00 52.55 51.37 2ekd s ASP 45 Cb -0.19 -2.22 -0.03 0.00 -0.30 0.00 0.00 42.92 40.18 2ekd s ASP 45 CO 0.12 -0.84 0.50 -0.63 -0.17 0.00 0.00 175.17 174.14 2ekd s ILE 46 N 1.85 5.08 -1.25 4.11 1.01 -0.70 -4.42 121.20 126.89 2ekd s ILE 46 Ca 0.05 0.79 -0.09 0.00 0.00 0.00 0.00 60.65 61.40 2ekd s ILE 46 Cb -0.27 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 2ekd s ILE 46 CO 0.05 0.06 0.68 0.18 0.00 0.00 0.00 174.94 175.92 2ekd n LEU 47 N 5.54 -2.96 -3.29 2.97 4.77 -1.26 -2.51 117.00 120.26 2ekd n LEU 47 Ca -0.05 -0.94 -0.22 0.00 -0.03 0.00 0.00 56.01 54.77 2ekd n LEU 47 Cb 0.50 -2.48 -0.00 0.00 -2.33 0.00 0.00 43.42 39.10 2ekd n LEU 47 CO 0.40 0.42 -0.04 0.47 -1.33 0.00 0.00 177.39 177.31 2ekd n ASP 48 N -2.90 -3.77 0.10 -1.43 8.00 -1.26 -4.84 116.55 110.45 2ekd n ASP 48 Ca -0.21 -0.34 -0.03 0.00 0.71 0.00 0.00 54.79 54.92 2ekd n ASP 48 Cb 0.64 -3.12 0.04 0.00 -0.02 0.00 0.00 41.12 38.66 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 -0.91 1.53 -0.36 -3.53 2.02 -1.79 -3.14 112.91 106.73 2ekd h THR 49 Ca -0.42 -2.70 -0.07 0.00 0.77 0.00 0.00 66.41 63.99 2ekd h THR 49 Cb 1.28 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 70.15 2ekd h THR 49 CO 0.52 0.76 -0.04 0.22 0.37 0.00 0.00 175.52 177.36 2ekd h TYR 50 N 0.00 0.73 -0.86 3.16 3.20 -1.88 -2.45 116.97 118.86 2ekd h TYR 50 Ca -0.01 -0.14 0.09 0.00 3.14 0.00 0.00 58.73 61.82 2ekd h TYR 50 Cb 1.41 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 39.43 2ekd h TYR 50 CO 0.00 0.78 0.56 -0.92 -1.64 0.00 0.00 178.16 176.94 2ekd h TYR 51 N 0.46 0.91 -0.27 -3.82 3.20 -1.85 0.91 116.97 116.52 2ekd h TYR 51 Ca 0.10 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 2ekd h TYR 51 Cb 0.52 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2ekd h TYR 51 CO 0.04 0.43 -0.09 0.93 -1.64 0.00 0.00 178.16 177.82 2ekd h GLU 52 N 0.85 0.54 -0.16 1.82 5.08 -1.45 -0.41 114.58 120.86 2ekd h GLU 52 Ca 0.40 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2ekd h GLU 52 Cb 0.40 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2ekd h GLU 52 CO -0.16 0.77 0.09 0.74 -1.00 0.00 0.00 179.01 179.44 2ekd h PHE 53 N 0.29 0.22 -0.54 4.33 -1.00 -0.90 -1.58 116.94 117.74 2ekd h PHE 53 Ca 0.06 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.89 2ekd h PHE 53 Cb 0.59 -0.07 -0.05 0.00 3.61 0.00 0.00 35.95 40.03 2ekd h PHE 53 CO 0.06 0.21 0.26 -0.92 -1.61 0.00 0.00 178.31 176.31 2ekd h TYR 54 N 0.16 0.48 -0.65 -0.55 3.20 -0.81 -1.23 116.97 117.57 2ekd h TYR 54 Ca 0.06 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 2ekd h TYR 54 Cb 0.06 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 2ekd h TYR 54 CO -0.04 0.22 0.14 1.15 -1.64 0.00 0.00 178.16 177.98 2ekd h THR 55 N 0.51 1.25 -0.45 1.81 2.02 -0.87 0.21 112.91 117.40 2ekd h THR 55 Ca 0.24 -0.96 -0.12 0.00 0.77 0.00 0.00 66.41 66.35 2ekd h THR 55 Cb 0.17 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2ekd h THR 55 CO -0.18 0.36 -0.19 0.03 0.37 0.00 0.00 175.52 175.91 2ekd h ARG 56 N 0.98 0.92 -0.38 6.66 3.08 -0.82 -1.55 114.38 123.27 2ekd h ARG 56 Ca 0.20 -0.39 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 2ekd h ARG 56 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2ekd h ARG 56 CO 0.00 1.05 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.69 2ekd h LEU 57 N 0.76 0.83 -0.12 3.04 3.38 -1.06 -1.64 115.31 120.50 2ekd h LEU 57 Ca 0.10 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2ekd h LEU 57 Cb 0.76 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2ekd h LEU 57 CO 0.06 1.05 0.04 0.50 0.09 0.00 0.00 178.44 180.18 2ekd h LYS 58 N 0.60 0.09 -0.35 1.13 3.64 -0.85 -1.22 116.57 119.62 2ekd h LYS 58 Ca 0.08 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2ekd h LYS 58 Cb 0.74 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2ekd h LYS 58 CO 0.06 0.06 0.15 0.28 -2.27 0.00 0.00 179.45 177.73 2ekd h VAL 59 N 0.10 1.13 0.00 2.00 2.07 -1.25 -0.52 116.25 119.78 2ekd h VAL 59 Ca 0.05 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2ekd h VAL 59 Cb 0.03 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2ekd h VAL 59 CO -0.06 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.69 2ekd n ALA 60 N -2.48 1.91 -0.43 1.67 0.00 -0.53 -4.86 120.51 115.79 2ekd n ALA 60 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2ekd n ALA 60 Cb 0.13 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 0.13 0.78 3.80 0.00 0.00 -0.20 -5.06 105.19 104.65 2ekd n GLY 61 Ca 0.08 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.04 -0.33 1.61 0.40 -0.79 -4.97 117.98 114.94 2ekd s PHE 62 Ca 0.00 1.58 -0.29 0.00 -0.60 0.00 0.00 56.93 57.62 2ekd s PHE 62 Cb 0.00 -3.04 0.02 0.00 0.51 0.00 0.00 43.02 40.51 2ekd s PHE 62 CO 0.00 -0.73 1.09 0.34 0.70 0.00 0.00 175.22 176.61 2ekd s ASP 63 N -2.00 6.90 -0.22 1.36 2.15 -1.26 -4.61 116.67 118.98 2ekd s ASP 63 Ca 0.67 1.00 0.15 0.00 0.43 0.00 0.00 52.55 54.79 2ekd s ASP 63 Cb -0.15 -2.54 0.79 0.00 -0.30 0.00 0.00 42.92 40.72 2ekd s ASP 63 CO 0.19 -0.92 1.72 1.33 -0.17 0.00 0.00 175.17 177.32 2ekd n VAL 64 N 5.97 2.63 -0.31 1.11 0.24 -1.26 -4.50 118.33 122.20 2ekd n VAL 64 Ca 0.12 -1.42 -0.05 0.00 -2.04 0.00 0.00 64.34 60.96 2ekd n VAL 64 Cb 0.47 -0.22 0.07 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 3.88 1.07 -0.10 2.33 0.00 -2.00 -2.20 119.26 122.24 2ekd h ALA 65 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2ekd h ALA 65 Cb 1.89 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2ekd h ALA 65 CO 0.44 0.58 0.07 -1.35 0.00 0.00 0.00 179.25 178.99 2ekd h PRO 66 N 1.16 0.04 -0.08 0.00 0.11 -1.99 -1.96 132.00 129.28 2ekd h PRO 66 Ca 0.29 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.20 2ekd h PRO 66 Cb 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.14 2ekd h PRO 66 CO -0.05 0.02 -0.78 -0.07 -0.21 0.00 0.00 178.00 176.92 2ekd h LEU 67 N 0.04 0.60 -0.36 2.35 3.38 -1.73 -3.12 115.31 116.46 2ekd h LEU 67 Ca 0.05 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2ekd h LEU 67 Cb 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2ekd h LEU 67 CO -0.00 1.17 0.00 -0.33 0.09 0.00 0.00 178.44 179.37 2ekd h GLU 68 N 0.33 0.00 0.00 1.13 5.08 -1.13 -3.24 114.58 116.75 2ekd h GLU 68 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2ekd h GLU 68 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2ekd h GLU 68 CO 0.14 0.00 -0.64 -1.71 -1.00 0.00 0.00 179.01 175.80 2ekd n ASN 69 N -2.49 0.70 -4.83 1.42 5.15 -0.89 -3.62 115.26 110.71 2ekd n ASN 69 Ca 0.04 0.12 -0.30 0.00 -0.60 0.00 0.00 54.58 53.83 2ekd n ASN 69 Cb 0.38 0.17 0.06 0.00 -0.53 0.00 0.00 39.78 39.86 2ekd n ASN 69 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2ekd s VAL 70 N -3.17 3.71 -0.01 3.44 -7.23 -1.22 -4.73 120.40 111.19 2ekd s VAL 70 Ca 0.06 0.56 -0.20 0.00 -1.81 0.00 0.00 61.98 60.59 2ekd s VAL 70 Cb 0.13 -3.37 -0.05 0.00 0.56 0.00 0.00 36.38 33.65 2ekd s VAL 70 CO 0.72 -0.73 0.57 -1.10 -0.31 0.00 0.00 175.10 174.25 2ekd s GLN 71 N -5.15 4.28 -0.03 4.82 -0.21 -0.92 -1.14 119.66 121.31 2ekd s GLN 71 Ca 0.59 0.68 0.05 0.00 0.02 0.00 0.00 55.36 56.70 2ekd s GLN 71 Cb -0.13 -3.33 -0.01 0.00 1.00 0.00 0.00 33.01 30.54 2ekd s GLN 71 CO 0.54 0.40 -0.18 0.08 -2.12 0.00 0.00 175.29 174.01 2ekd s VAL 72 N -0.26 1.43 -0.30 1.09 1.01 0.55 -0.45 120.40 123.47 2ekd s VAL 72 Ca 0.30 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2ekd s VAL 72 Cb -0.18 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.03 2ekd s VAL 72 CO 0.16 0.41 0.02 -0.63 0.00 0.00 0.00 175.10 175.06 2ekd s ILE 73 N -0.23 3.29 0.00 2.22 1.01 0.07 -0.27 121.20 127.30 2ekd s ILE 73 Ca 0.02 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.53 2ekd s ILE 73 Cb -0.09 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.57 2ekd s ILE 73 CO 0.01 -0.03 0.00 0.29 0.00 0.00 0.00 174.94 175.21 2ekd n LYS 74 N 4.71 1.02 0.00 2.79 5.02 0.57 -1.03 118.16 131.24 2ekd n LYS 74 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2ekd n LYS 74 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 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 0.03 0.72 0.00 -0.74 0.74 105.19 110.95 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 -1.96 0.00 -0.02 0.00 -1.26 -4.39 105.19 97.56 2ekd n GLY 77 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2ekd n GLY 77 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ekd n THR 78 N -2.53 0.00 -3.74 2.61 -2.24 -1.26 -4.93 114.28 102.20 2ekd n THR 78 Ca -0.00 -0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 2ekd n THR 78 Cb 0.01 1.57 -0.12 0.00 -2.10 0.00 0.00 70.33 69.69 2ekd n THR 78 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ekd s LYS 79 N -0.00 2.64 -0.21 -0.78 1.02 -1.26 -5.07 119.74 116.07 2ekd s LYS 79 Ca 0.00 -1.17 -0.25 0.00 0.02 0.00 0.00 55.97 54.57 2ekd s LYS 79 Cb 0.00 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 2ekd s LYS 79 CO 0.00 -0.67 0.83 -0.51 -0.92 0.00 0.00 175.35 174.08 2ekd s ASP 80 N 1.42 6.89 -0.04 2.83 1.11 -1.26 -4.75 116.67 122.87 2ekd s ASP 80 Ca -0.01 1.10 0.01 0.00 0.18 0.00 0.00 52.55 53.83 2ekd s ASP 80 Cb -0.19 -2.44 0.02 0.00 1.07 0.00 0.00 42.92 41.37 2ekd s ASP 80 CO 0.03 -0.47 -0.06 -0.63 1.18 0.00 0.00 175.17 175.23 2ekd s ILE 81 N 2.54 0.61 0.00 0.77 -1.09 -1.26 -5.08 121.20 117.69 2ekd s ILE 81 Ca 0.36 -0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 2ekd s ILE 81 Cb -0.16 -0.60 0.00 0.00 -1.58 0.00 0.00 42.46 40.12 2ekd s ILE 81 CO 0.09 0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 2ekd n GLY 82 N 3.78 -1.94 3.37 6.18 0.00 -1.26 -4.69 105.19 110.63 2ekd n GLY 82 Ca -0.23 -1.66 -0.45 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 3.21 -0.15 1.61 0.52 -0.29 -4.92 118.95 118.92 2ekd s ARG 83 Ca 0.00 -1.62 -0.29 0.00 -0.52 0.00 0.00 55.73 53.30 2ekd s ARG 83 Cb 0.00 -4.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.06 2ekd s ARG 83 CO 0.00 -1.51 1.47 0.08 0.02 0.00 0.00 175.30 175.36 2ekd s VAL 84 N 2.14 3.91 -1.32 3.52 1.01 -1.26 -0.33 120.40 128.07 2ekd s VAL 84 Ca 0.14 1.08 0.15 0.00 0.00 0.00 0.00 61.98 63.35 2ekd s VAL 84 Cb -0.20 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2ekd s VAL 84 CO 0.01 -0.18 0.79 2.30 0.00 0.00 0.00 175.10 178.03 2ekd n ILE 85 N 5.71 0.00 -3.56 2.22 -5.35 0.63 -4.89 119.36 114.11 2ekd n ILE 85 Ca 0.16 -0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 2ekd n ILE 85 Cb 0.44 1.17 -0.05 0.00 -1.74 0.00 0.00 39.64 39.46 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 -1.77 -0.36 -0.12 3.28 0.00 -1.22 -5.00 107.32 102.13 2ekd s GLY 86 Ca 0.12 1.83 -0.02 0.00 0.00 0.00 0.00 44.72 46.65 2ekd s GLY 86 CO 0.37 1.02 0.01 0.50 0.00 0.00 0.00 173.10 175.00 2ekd s ARG 87 N -1.11 0.71 0.25 2.90 0.52 -1.26 -0.32 118.95 120.64 2ekd s ARG 87 Ca -0.04 -0.10 0.08 0.00 -0.52 0.00 0.00 55.73 55.14 2ekd s ARG 87 Cb -0.00 -1.41 -0.04 0.00 0.52 0.00 0.00 34.95 34.02 2ekd s ARG 87 CO 0.04 -0.41 0.14 -0.51 0.02 0.00 0.00 175.30 174.58 2ekd s LEU 88 N 1.91 3.64 -0.00 2.53 1.43 0.23 -4.98 118.68 123.43 2ekd s LEU 88 Ca 0.03 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2ekd s LEU 88 Cb -0.14 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 2ekd s LEU 88 CO -0.06 -0.02 0.12 0.20 0.23 0.00 0.00 176.35 176.82 2ekd s ASN 89 N -3.76 5.97 -1.09 2.29 0.01 -1.26 -1.79 114.94 115.31 2ekd s ASN 89 Ca 0.32 0.23 -0.11 0.00 -0.71 0.00 0.00 52.86 52.59 2ekd s ASN 89 Cb -0.08 -1.79 0.25 0.00 0.41 0.00 0.00 41.25 40.04 2ekd s ASN 89 CO 0.23 0.27 1.14 -0.63 -1.51 0.00 0.00 177.10 176.60 2ekd s ILE 90 N -1.25 5.73 -0.22 0.60 1.01 -1.26 -4.64 121.20 121.16 2ekd s ILE 90 Ca 0.25 -3.10 -0.17 0.00 0.00 0.00 0.00 60.65 57.62 2ekd s ILE 90 Cb -0.12 -4.66 -0.03 0.00 0.01 0.00 0.00 42.46 37.66 2ekd s ILE 90 CO 0.16 -1.27 0.47 -0.44 0.00 0.00 0.00 174.94 173.87 2ekd s SER 91 N 1.79 6.47 -1.26 3.58 0.01 -1.09 -4.02 113.70 119.18 2ekd s SER 91 Ca 0.32 0.56 -0.08 0.00 1.31 0.00 0.00 55.95 58.06 2ekd s SER 91 Cb -0.08 -2.27 0.01 0.00 0.21 0.00 0.00 66.02 63.89 2ekd s SER 91 CO -0.07 -0.17 1.03 0.29 0.41 0.00 0.00 173.24 174.73 2ekd n LYS 92 N 4.90 -7.02 -4.05 12.44 4.01 -1.26 -2.90 118.16 124.28 2ekd n LYS 92 Ca -0.06 0.77 -0.27 0.00 -0.51 0.00 0.00 58.31 58.24 2ekd n LYS 92 Cb 0.50 -5.59 -0.04 0.00 -0.51 0.00 0.00 35.03 29.39 2ekd n LYS 92 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2ekd n TYR 93 N -4.76 -1.54 -3.81 2.13 4.01 -1.26 -4.90 117.16 107.03 2ekd n TYR 93 Ca -0.00 0.70 -0.05 0.00 -0.16 0.00 0.00 57.90 58.39 2ekd n TYR 93 Cb 0.56 -3.48 -0.01 0.00 -0.31 0.00 0.00 39.34 36.11 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 -4.07 0.00 0.17 -0.72 0.11 -1.14 -4.78 120.40 109.96 2ekd s VAL 94 Ca 0.01 -0.81 0.08 0.00 -2.93 0.00 0.00 61.98 58.33 2ekd s VAL 94 Cb -0.00 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.60 2ekd s VAL 94 CO 0.92 0.00 -0.17 0.27 -3.33 0.00 0.00 175.10 172.79 2ekd s ILE 95 N -3.25 1.76 -0.09 7.04 -4.36 -1.26 -2.68 121.20 118.36 2ekd s ILE 95 Ca 0.13 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 58.27 2ekd s ILE 95 Cb -0.03 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.80 2ekd s ILE 95 CO 0.05 -0.38 1.15 -0.55 0.24 0.00 0.00 174.94 175.45 2ekd s SER 96 N -2.78 7.10 0.48 4.36 0.15 -1.26 -4.91 113.70 116.84 2ekd s SER 96 Ca 0.16 1.71 0.27 0.00 0.70 0.00 0.00 55.95 58.79 2ekd s SER 96 Cb -0.05 -2.56 1.09 0.00 -1.71 0.00 0.00 66.02 62.80 2ekd s SER 96 CO 0.06 -0.56 1.89 -0.08 1.20 0.00 0.00 173.24 175.75 2ekd h GLU 97 N 7.42 0.00 0.01 5.44 4.81 -1.99 -2.39 114.58 127.87 2ekd h GLU 97 Ca -0.32 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.81 2ekd h GLU 97 Cb 1.15 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.54 2ekd h GLU 97 CO 0.89 0.16 -0.40 1.96 -0.73 0.00 0.00 179.01 180.89 2ekd h GLN 98 N 0.00 0.26 -0.08 1.92 7.50 -2.06 -3.30 115.11 119.35 2ekd h GLN 98 Ca -0.00 -0.29 -0.10 0.00 0.50 0.00 0.00 58.65 58.75 2ekd h GLN 98 Cb 0.64 0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.24 2ekd h GLN 98 CO 0.02 1.01 -0.43 1.49 -1.50 0.00 0.00 178.83 179.42 2ekd h GLU 99 N -0.36 0.17 -0.73 1.46 4.81 -1.97 -2.55 114.58 115.41 2ekd h GLU 99 Ca -0.05 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2ekd h GLU 99 Cb 1.16 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2ekd h GLU 99 CO 0.08 0.57 0.00 0.98 -0.73 0.00 0.00 179.01 179.91 2ekd n TYR 100 N -4.02 0.00 0.00 0.92 9.36 -0.90 -2.44 117.16 120.08 2ekd n TYR 100 Ca -0.02 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.16 2ekd n TYR 100 Cb 0.48 -0.07 0.00 0.00 -0.63 0.00 0.00 39.34 39.12 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 0.49 0.00 0.04 2.98 2.13 -0.96 -1.49 120.64 123.82 2ekd n GLU 102 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 2ekd n GLU 102 Cb 0.10 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.67 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 1.45 0.00 6.31 2.04 -1.78 -3.30 117.51 122.23 2ekd h ILE 103 Ca 0.00 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.35 2ekd h ILE 103 Cb 0.00 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 2ekd h ILE 103 CO 0.00 0.71 0.00 1.33 0.00 0.00 0.00 178.15 180.19 2ekd n VAL 104 N -4.12 0.16 0.98 1.67 0.24 -0.56 -2.54 118.33 114.18 2ekd n VAL 104 Ca -0.16 0.04 0.14 0.00 -2.04 0.00 0.00 64.34 62.32 2ekd n VAL 104 Cb 0.82 -0.74 0.59 0.00 -1.47 0.00 0.00 33.84 33.05 2ekd n VAL 104 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2ekd n SER 105 N -1.10 0.06 -0.51 -1.34 3.41 -1.24 -3.14 113.62 109.76 2ekd n SER 105 Ca 0.12 0.46 0.08 0.00 -0.26 0.00 0.00 58.87 59.28 2ekd n SER 105 Cb 0.10 -0.47 0.30 0.00 -0.26 0.00 0.00 64.21 63.87 2ekd n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ekd n GLN 106 N -1.53 1.65 -4.03 4.33 10.64 -1.05 -4.85 117.38 122.54 2ekd n GLN 106 Ca 0.07 -1.00 -0.36 0.00 -1.83 0.00 0.00 57.00 53.88 2ekd n GLN 106 Cb 0.34 -1.32 -0.07 0.00 -0.86 0.00 0.00 30.24 28.33 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 -1.35 4.13 0.00 2.61 1.43 -1.19 -5.00 118.68 119.31 2ekd s LEU 107 Ca 0.27 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 2ekd s LEU 107 Cb 0.14 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2ekd s LEU 107 CO 0.21 0.39 0.00 0.29 0.23 0.00 0.00 176.35 177.47 2ekd n LYS 108 N 2.09 1.17 -2.11 1.70 4.01 -1.26 -4.94 118.16 118.81 2ekd n LYS 108 Ca -0.19 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.32 2ekd n LYS 108 Cb 0.54 -0.99 -0.05 0.00 -0.51 0.00 0.00 35.03 34.03 2ekd n LYS 108 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2ekd s ASP 109 N -3.67 5.28 0.14 4.39 -1.08 -1.26 -4.95 116.67 115.52 2ekd s ASP 109 Ca 0.00 -1.11 0.07 0.00 -0.52 0.00 0.00 52.55 50.99 2ekd s ASP 109 Cb 0.00 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 2ekd s ASP 109 CO 0.00 -2.69 -0.05 -0.31 0.52 0.00 0.00 175.17 172.64 2ekd s TYR 110 N 9.75 2.80 0.93 -5.34 2.02 -1.26 -4.50 117.35 121.76 2ekd s TYR 110 Ca 0.67 -0.14 -0.15 0.00 -0.37 0.00 0.00 57.07 57.08 2ekd s TYR 110 Cb -0.04 -1.41 0.18 0.00 -0.40 0.00 0.00 41.96 40.29 2ekd s TYR 110 CO 0.03 0.48 1.30 -1.25 -1.57 0.00 0.00 175.55 174.54 2ekd s PRO 111 N -2.60 0.88 0.05 -1.71 0.04 -1.26 -5.11 135.00 125.29 2ekd s PRO 111 Ca 0.25 -0.33 -0.01 0.00 0.04 0.00 0.00 61.00 60.95 2ekd s PRO 111 Cb -0.10 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2ekd s PRO 111 CO 0.17 -2.27 -0.03 0.14 0.04 0.00 0.00 177.00 175.05 2ekd s VAL 112 N -3.83 0.25 -0.21 -0.36 -7.23 -0.31 -4.32 120.40 104.39 2ekd s VAL 112 Ca 0.72 -1.77 -0.15 0.00 -1.81 0.00 0.00 61.98 58.97 2ekd s VAL 112 Cb -0.05 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 2ekd s VAL 112 CO 0.52 -0.96 0.37 -0.63 -0.31 0.00 0.00 175.10 174.09 2ekd s ILE 113 N -3.75 5.21 -0.57 -0.62 -1.09 -0.63 -2.07 121.20 117.68 2ekd s ILE 113 Ca 0.06 0.65 0.03 0.00 -2.23 0.00 0.00 60.65 59.16 2ekd s ILE 113 Cb 0.07 -3.70 0.14 0.00 -1.58 0.00 0.00 42.46 37.39 2ekd s ILE 113 CO -0.09 0.26 0.33 0.21 -1.23 0.00 0.00 174.94 174.42 2ekd s ASN 114 N 1.07 4.53 0.08 3.58 3.04 -0.39 -1.41 114.94 125.44 2ekd s ASN 114 Ca 0.18 -3.18 -0.30 0.00 0.04 0.00 0.00 52.86 49.59 2ekd s ASN 114 Cb -0.15 -1.66 -0.06 0.00 -1.54 0.00 0.00 41.25 37.84 2ekd s ASN 114 CO 0.08 -0.21 1.18 -2.84 -3.04 0.00 0.00 177.10 172.26 2ekd s PRO 115 N -0.53 4.46 -0.25 0.43 0.02 -1.19 -1.82 135.00 136.12 2ekd s PRO 115 Ca 0.19 1.75 -0.03 0.00 0.02 0.00 0.00 61.00 62.93 2ekd s PRO 115 Cb -0.21 -3.34 0.01 0.00 0.02 0.00 0.00 34.50 30.98 2ekd s PRO 115 CO -0.04 -0.21 -0.04 0.08 -0.33 0.00 0.00 177.00 176.46 2ekd s VAL 116 N 0.88 3.12 -0.04 3.83 1.01 0.85 -0.86 120.40 129.19 2ekd s VAL 116 Ca 0.57 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2ekd s VAL 116 Cb -0.29 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2ekd s VAL 116 CO 0.30 0.25 -0.09 -0.76 0.00 0.00 0.00 175.10 174.81 2ekd s LEU 117 N 1.39 3.07 0.00 3.92 1.43 -0.58 -1.45 118.68 126.45 2ekd s LEU 117 Ca 0.02 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2ekd s LEU 117 Cb -0.16 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2ekd s LEU 117 CO -0.04 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.49 2ekd n GLY 118 N 2.06 0.76 0.35 -3.19 0.00 -1.25 -1.72 105.19 102.20 2ekd n GLY 118 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 0.90 -1.76 0.99 5.85 -1.84 -0.69 115.31 118.77 2ekd h LEU 119 Ca 0.00 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.85 2ekd h LEU 119 Cb 0.00 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2ekd h LEU 119 CO 0.00 0.54 0.36 1.12 -0.34 0.00 0.00 178.44 180.12 2ekd h HIS 120 N 1.02 0.29 -0.64 1.25 2.07 -1.92 -0.60 115.15 116.62 2ekd h HIS 120 Ca 0.44 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.92 2ekd h HIS 120 Cb 0.30 -0.09 -0.03 0.00 2.57 0.00 0.00 27.41 30.16 2ekd h HIS 120 CO -0.02 0.14 0.25 0.87 -3.07 0.00 0.00 177.93 176.09 2ekd h LYS 121 N 0.27 0.97 -0.36 5.12 1.57 -1.53 0.92 116.57 123.54 2ekd h LYS 121 Ca 0.25 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2ekd h LYS 121 Cb 0.61 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2ekd h LYS 121 CO -0.05 0.82 0.17 -0.07 -0.57 0.00 0.00 179.45 179.75 2ekd h LEU 122 N 0.91 0.47 -0.30 2.94 3.38 -1.10 -2.50 115.31 119.11 2ekd h LEU 122 Ca 0.21 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2ekd h LEU 122 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2ekd h LEU 122 CO -0.02 0.46 0.10 0.40 0.09 0.00 0.00 178.44 179.48 2ekd h ILE 123 N 0.44 1.19 -0.58 1.22 2.04 -1.18 -2.57 117.51 118.07 2ekd h ILE 123 Ca 0.12 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.45 2ekd h ILE 123 Cb 0.12 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2ekd h ILE 123 CO -0.02 0.21 0.39 0.25 0.00 0.00 0.00 178.15 178.98 2ekd h LEU 124 N 0.32 0.43 -0.01 1.44 5.85 -0.70 -2.20 115.31 120.44 2ekd h LEU 124 Ca 0.10 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2ekd h LEU 124 Cb 0.22 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2ekd h LEU 124 CO -0.01 0.27 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.00 2ekd h LEU 125 N 0.49 0.00-10.51 2.25 3.38 -1.19 -3.47 115.31 106.26 2ekd h LEU 125 Ca 0.26 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.76 2ekd h LEU 125 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 2ekd h LEU 125 CO -0.07 0.30 -0.20 -0.83 0.09 0.00 0.00 178.44 177.73 2ekd s GLY 126 N -4.36 1.89 0.35 0.83 0.00 -0.83 -5.03 107.32 100.17 2ekd s GLY 126 Ca 0.05 -1.88 0.03 0.00 0.00 0.00 0.00 44.72 42.92 2ekd s GLY 126 CO 0.71 -1.63 0.48 1.16 0.00 0.00 0.00 173.10 173.82 2ekd n ASN 127 N -2.00 0.94 -0.29 1.64 0.23 -1.26 -4.81 115.26 109.71 2ekd n ASN 127 Ca 0.11 -1.72 -0.02 0.00 -0.53 0.00 0.00 54.58 52.42 2ekd n ASN 127 Cb 0.61 -0.28 0.10 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.21 1.10 -0.58 5.53 2.02 -1.98 0.22 112.91 119.01 2ekd h THR 128 Ca -0.16 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 2ekd h THR 128 Cb 0.66 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2ekd h THR 128 CO 0.20 0.18 0.19 0.15 0.37 0.00 0.00 175.52 176.61 2ekd h PHE 129 N 0.97 0.93 -0.26 3.16 3.57 -2.00 -0.74 116.94 122.58 2ekd h PHE 129 Ca 0.33 -0.09 -0.18 0.00 3.53 0.00 0.00 57.97 61.56 2ekd h PHE 129 Cb 0.05 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 2ekd h PHE 129 CO -0.03 0.78 -0.56 0.93 -2.23 0.00 0.00 178.31 177.20 2ekd h GLU 130 N 0.82 0.79 -0.76 1.11 5.08 -1.81 -2.82 114.58 116.99 2ekd h GLU 130 Ca 0.19 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2ekd h GLU 130 Cb 0.27 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2ekd h GLU 130 CO -0.01 1.13 0.44 -0.91 -1.00 0.00 0.00 179.01 178.66 2ekd h ASN 131 N 0.60 0.92 -0.73 1.42 -0.26 -0.37 -1.51 115.58 115.66 2ekd h ASN 131 Ca 0.01 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.66 2ekd h ASN 131 Cb 1.15 -0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 38.14 2ekd h ASN 131 CO 0.12 0.73 0.42 0.40 -1.06 0.00 0.00 177.43 178.04 2ekd h ILE 132 N 1.04 1.21 -0.19 2.81 2.04 -1.03 -0.28 117.51 123.11 2ekd h ILE 132 Ca 0.27 -0.51 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 2ekd h ILE 132 Cb -0.01 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 2ekd h ILE 132 CO -0.05 0.23 -0.29 0.78 0.00 0.00 0.00 178.15 178.82 2ekd h ASN 133 N 1.03 0.38 -0.22 1.72 2.35 -1.13 0.78 115.58 120.49 2ekd h ASN 133 Ca 0.26 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2ekd h ASN 133 Cb -0.00 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2ekd h ASN 133 CO -0.05 0.67 0.05 0.58 -1.65 0.00 0.00 177.43 177.04 2ekd h VAL 134 N 0.33 1.21 -0.81 2.81 2.07 -0.28 -2.76 116.25 118.82 2ekd h VAL 134 Ca 0.05 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 2ekd h VAL 134 Cb 0.69 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2ekd h VAL 134 CO 0.05 0.21 0.35 0.58 0.02 0.00 0.00 177.57 178.78 2ekd h VAL 135 N 0.18 1.26 0.00 2.57 2.07 -0.75 -2.35 116.25 119.23 2ekd h VAL 135 Ca 0.07 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2ekd h VAL 135 Cb 0.27 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2ekd h VAL 135 CO 0.00 0.33 0.00 1.17 0.02 0.00 0.00 177.57 179.09 2ekd n LYS 136 N -4.29 0.12 0.00 1.57 4.81 0.24 -1.22 118.16 119.39 2ekd n LYS 136 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2ekd n LYS 136 Cb 0.17 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.78 2ekd n LYS 136 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2ekd n VAL 138 N 1.23 0.00 0.23 3.15 0.31 -0.88 -1.13 118.33 121.24 2ekd n VAL 138 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 2ekd n VAL 138 Cb 0.06 0.00 0.49 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 0.83 4.52 4.64 -1.46 -2.97 113.55 119.11 2ekd h SER 139 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 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 0.21 0.00 0.78 -0.87 0.00 0.00 176.83 176.95 2ekd h ASN 140 N 0.00 0.00 -0.01 4.97 2.35 -1.39 -3.03 115.58 118.48 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 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2ekd h ASN 140 CO 0.03 0.00 -0.54 -1.22 -1.65 0.00 0.00 177.43 174.05 2ekd n TYR 141 N -3.03 0.00 -1.69 1.19 4.01 -1.13 -4.95 117.16 111.56 2ekd n TYR 141 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 2ekd n TYR 141 Cb 0.26 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.25 2ekd n TYR 141 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2ekd n VAL 142 N -0.75 0.12 0.00 -0.72 0.31 -1.15 -2.06 118.33 114.08 2ekd n VAL 142 Ca 0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2ekd n VAL 142 Cb 0.29 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 2ekd n VAL 142 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ekd n GLY 143 N 3.83 2.59 3.63 2.92 0.00 0.19 -5.03 105.19 113.32 2ekd n GLY 143 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.88 3.76 0.00 1.61 1.70 -0.87 -4.58 118.95 119.69 2ekd s ARG 144 Ca 0.00 1.88 0.10 0.00 -0.47 0.00 0.00 55.73 57.24 2ekd s ARG 144 Cb 0.00 -4.10 0.54 0.00 -0.57 0.00 0.00 34.95 30.82 2ekd s ARG 144 CO 0.00 -1.35 1.19 0.39 -1.08 0.00 0.00 175.30 174.45 2ekd n GLU 145 N 7.78 0.18 0.00 3.89 1.02 -1.26 -2.98 120.64 129.27 2ekd n GLU 145 Ca 0.20 0.15 0.10 0.00 -0.02 0.00 0.00 57.16 57.60 2ekd n GLU 145 Cb 0.44 -1.50 0.53 0.00 -0.02 0.00 0.00 31.44 30.90 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 -1.23 0.36 -3.78 3.49 0.00 -1.26 -4.52 120.64 113.70 2ekd n GLU 146 Ca 0.06 0.08 -0.04 0.00 0.00 0.00 0.00 57.16 57.26 2ekd n GLU 146 Cb 0.07 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.00 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 -2.47 1.26 -0.16 3.44 3.03 -1.16 -1.17 118.95 121.73 2ekd s ARG 147 Ca 0.21 -0.72 0.01 0.00 2.03 0.00 0.00 55.73 57.26 2ekd s ARG 147 Cb 0.14 0.42 0.02 0.00 -1.03 0.00 0.00 34.95 34.49 2ekd s ARG 147 CO 0.30 -0.58 -0.17 0.42 -1.13 0.00 0.00 175.30 174.13 2ekd s ILE 148 N -3.13 1.82 -0.13 4.99 1.01 -0.88 -0.86 121.20 124.02 2ekd s ILE 148 Ca 0.14 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 2ekd s ILE 148 Cb -0.02 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2ekd s ILE 148 CO 0.03 0.50 0.11 0.00 0.00 0.00 0.00 174.94 175.58 2ekd s ALA 149 N 1.33 3.73 -0.32 9.38 0.00 -0.65 -1.26 121.76 133.98 2ekd s ALA 149 Ca 0.04 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2ekd s ALA 149 Cb -0.13 -1.92 0.08 0.00 0.00 0.00 0.00 23.12 21.16 2ekd s ALA 149 CO -0.11 0.53 0.01 -0.06 0.00 0.00 0.00 175.76 176.14 2ekd s PHE 150 N -0.75 3.55 -0.50 0.00 0.08 -0.76 0.74 117.98 120.35 2ekd s PHE 150 Ca 0.13 -2.63 -0.21 0.00 0.12 0.00 0.00 56.93 54.34 2ekd s PHE 150 Cb -0.12 -2.58 0.04 0.00 -0.57 0.00 0.00 43.02 39.80 2ekd s PHE 150 CO 0.03 -0.92 0.70 0.71 -0.10 0.00 0.00 175.22 175.64 2ekd s TYR 151 N 1.02 3.00 -0.31 0.36 1.51 0.11 -0.10 117.35 122.94 2ekd s TYR 151 Ca 0.03 -0.27 -0.24 0.00 -1.01 0.00 0.00 57.07 55.58 2ekd s TYR 151 Cb -0.20 -3.60 0.00 0.00 -0.11 0.00 0.00 41.96 38.05 2ekd s TYR 151 CO -0.06 -1.05 0.84 -0.06 -1.11 0.00 0.00 175.55 174.10 2ekd s PHE 152 N 2.99 3.20 -0.01 2.71 0.40 -0.53 0.55 117.98 127.28 2ekd s PHE 152 Ca 0.21 0.88 0.03 0.00 -0.60 0.00 0.00 56.93 57.45 2ekd s PHE 152 Cb -0.16 -3.29 -0.01 0.00 0.51 0.00 0.00 43.02 40.07 2ekd s PHE 152 CO 0.16 -0.59 -0.11 0.14 0.70 0.00 0.00 175.22 175.52 2ekd s VAL 153 N 3.06 0.86 -0.81 -0.44 -7.23 -0.01 -3.89 120.40 111.93 2ekd s VAL 153 Ca 0.34 -0.45 -0.26 0.00 -1.81 0.00 0.00 61.98 59.80 2ekd s VAL 153 Cb -0.14 -0.72 0.03 0.00 0.56 0.00 0.00 36.38 36.11 2ekd s VAL 153 CO 0.13 0.25 1.38 0.21 -0.31 0.00 0.00 175.10 176.76 2ekd s ASN 154 N -0.18 6.17 0.23 4.85 3.84 -1.26 -1.53 114.94 127.05 2ekd s ASN 154 Ca 0.03 -0.67 -0.13 0.00 0.21 0.00 0.00 52.86 52.29 2ekd s ASN 154 Cb -0.05 -2.56 0.28 0.00 -0.55 0.00 0.00 41.25 38.37 2ekd s ASN 154 CO -0.00 -1.81 1.60 -0.09 -2.79 0.00 0.00 177.10 174.01 2ekd h ARG 155 N 10.32 -0.02 -0.91 0.43 2.43 -1.46 -1.72 114.38 123.45 2ekd h ARG 155 Ca -0.14 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2ekd h ARG 155 Cb 1.05 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.55 2ekd h ARG 155 CO 1.31 -0.01 0.59 -0.91 -1.51 0.00 0.00 179.97 179.44 2ekd h ASN 156 N -0.02 0.97 -0.21 -3.80 2.35 -1.90 -0.04 115.58 112.93 2ekd h ASN 156 Ca 0.34 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.12 2ekd h ASN 156 Cb 0.55 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 2ekd h ASN 156 CO -0.76 0.66 -0.02 0.58 -1.65 0.00 0.00 177.43 176.24 2ekd h VAL 157 N 1.13 0.83 -0.19 2.81 2.07 -1.68 -1.23 116.25 120.01 2ekd h VAL 157 Ca 0.37 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.81 2ekd h VAL 157 Cb 0.03 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2ekd h VAL 157 CO -0.13 0.01 -0.15 0.40 0.02 0.00 0.00 177.57 177.73 2ekd h ILE 158 N 0.05 1.33 -0.74 4.57 2.04 -1.34 -2.61 117.51 120.79 2ekd h ILE 158 Ca 0.10 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 2ekd h ILE 158 Cb 0.13 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 2ekd h ILE 158 CO -0.18 0.38 0.46 -0.08 0.00 0.00 0.00 178.15 178.73 2ekd h GLU 159 N 0.09 0.99 0.00 2.37 4.81 -0.83 0.95 114.58 122.96 2ekd h GLU 159 Ca 0.03 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 2ekd h GLU 159 Cb 0.67 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2ekd h GLU 159 CO 0.04 0.68 -0.56 0.87 -0.73 0.00 0.00 179.01 179.31 2ekd h LYS 160 N 1.01 0.00 0.01 1.92 1.57 -1.28 -2.80 116.57 117.01 2ekd h LYS 160 Ca 0.27 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2ekd h LYS 160 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2ekd h LYS 160 CO -0.05 0.56 -0.01 1.25 -0.57 0.00 0.00 179.45 180.63 2ekd h HIS 161 N 0.00 -0.02 -2.00 -1.35 2.76 -1.01 -3.45 115.15 110.08 2ekd h HIS 161 Ca -0.01 -0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.83 2ekd h HIS 161 Cb 1.35 0.01 -0.32 0.00 1.55 0.00 0.00 27.41 30.00 2ekd h HIS 161 CO 0.00 0.48 -0.65 0.45 -1.30 0.00 0.00 177.93 176.91 2ekd s SER 162 N -5.85 1.28 0.35 3.26 0.15 0.28 -5.02 113.70 108.15 2ekd s SER 162 Ca -0.10 -1.09 0.03 0.00 0.70 0.00 0.00 55.95 55.50 2ekd s SER 162 Cb -0.01 0.61 0.66 0.00 -1.71 0.00 0.00 66.02 65.57 2ekd s SER 162 CO 0.35 -0.33 1.98 -1.28 1.20 0.00 0.00 173.24 175.17 2ekd h SER 163 N 7.70 0.73 -0.86 5.45 0.87 -1.62 -1.95 113.55 123.87 2ekd h SER 163 Ca -0.04 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2ekd h SER 163 Cb 1.07 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.82 2ekd h SER 163 CO 0.27 0.50 0.48 -0.65 -0.53 0.00 0.00 176.83 176.90 2ekd h PRO 164 N 0.84 1.20 -0.59 2.24 0.11 -1.91 -2.58 132.00 131.30 2ekd h PRO 164 Ca 0.28 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 2ekd h PRO 164 Cb 0.06 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 30.91 2ekd h PRO 164 CO -0.08 0.87 0.14 0.82 -0.21 0.00 0.00 178.00 179.55 2ekd h ILE 165 N 1.20 1.24 -0.71 4.15 1.08 -1.72 -1.28 117.51 121.48 2ekd h ILE 165 Ca 0.31 -0.86 -0.07 0.00 -0.39 0.00 0.00 64.86 63.85 2ekd h ILE 165 Cb 0.01 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 2ekd h ILE 165 CO -0.05 0.32 0.17 0.25 -0.69 0.00 0.00 178.15 178.16 2ekd h LEU 166 N 0.87 1.07 -1.05 1.44 5.85 -1.20 -1.39 115.31 120.91 2ekd h LEU 166 Ca 0.19 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 2ekd h LEU 166 Cb 0.31 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2ekd h LEU 166 CO -0.00 1.03 -0.46 -0.78 -0.34 0.00 0.00 178.44 177.89 2ekd h ASP 167 N 1.07 0.00 -0.16 1.25 1.82 -1.07 -1.64 116.42 117.69 2ekd h ASP 167 Ca 0.22 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.79 2ekd h ASP 167 Cb 0.37 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.38 2ekd h ASP 167 CO 0.00 0.46 -0.17 -0.07 -1.61 0.00 0.00 179.24 177.85 2ekd h LEU 168 N 0.00 0.42 -0.42 2.28 3.38 -0.88 -2.32 115.31 117.77 2ekd h LEU 168 Ca -0.00 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.54 2ekd h LEU 168 Cb 0.85 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 2ekd h LEU 168 CO 0.06 0.83 0.09 -0.07 0.09 0.00 0.00 178.44 179.44 2ekd h LEU 169 N 0.03 0.03 -1.62 1.67 3.38 -1.05 -1.10 115.31 116.66 2ekd h LEU 169 Ca 0.02 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2ekd h LEU 169 Cb 0.71 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2ekd h LEU 169 CO 0.04 0.05 -0.14 -0.33 0.09 0.00 0.00 178.44 178.16 2ekd h GLU 170 N 0.23 0.07 -0.21 1.13 5.08 -1.27 -2.82 114.58 116.79 2ekd h GLU 170 Ca 0.20 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 2ekd h GLU 170 Cb 0.24 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2ekd h GLU 170 CO -0.25 0.21 -0.28 1.49 -1.00 0.00 0.00 179.01 179.18 2ekd h GLU 171 N 0.07 0.55 0.00 2.33 4.81 -0.65 -3.31 114.58 118.37 2ekd h GLU 171 Ca 0.01 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 2ekd h GLU 171 Cb 0.29 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2ekd h GLU 171 CO 0.02 0.92 -0.11 -0.39 -0.73 0.00 0.00 179.01 178.71 2ekd h VAL 172 N 0.23 0.23 -3.98 0.32 -1.51 -1.11 -3.45 116.25 106.97 2ekd h VAL 172 Ca 0.02 -1.07 -0.49 0.00 -1.23 0.00 0.00 66.70 63.94 2ekd h VAL 172 Cb 0.85 1.89 0.06 0.00 -2.13 0.00 0.00 31.29 31.96 2ekd h VAL 172 CO 0.07 0.11 0.27 0.68 -1.23 0.00 0.00 177.57 177.47 2ekd s VAL 173 N -3.38 3.89 -0.11 7.19 -7.23 -1.08 -4.87 120.40 114.81 2ekd s VAL 173 Ca 0.04 0.28 0.17 0.00 -1.81 0.00 0.00 61.98 60.65 2ekd s VAL 173 Cb 0.07 -3.56 -0.20 0.00 0.56 0.00 0.00 36.38 33.25 2ekd s VAL 173 CO 0.64 -0.64 0.59 0.35 -0.31 0.00 0.00 175.10 175.72 2ekd n THR 174 N -2.69 1.23 -4.06 5.32 -2.24 -0.82 -4.95 114.28 106.06 2ekd n THR 174 Ca 0.05 -0.74 -0.12 0.00 -2.27 0.00 0.00 64.05 60.97 2ekd n THR 174 Cb 0.57 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 68.00 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 -5.67 0.80 -0.04 3.42 0.01 -1.15 -3.77 113.70 107.30 2ekd s SER 175 Ca -0.05 -0.60 -0.01 0.00 1.31 0.00 0.00 55.95 56.60 2ekd s SER 175 Cb 0.08 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.40 2ekd s SER 175 CO 0.83 -0.25 0.02 -0.63 0.41 0.00 0.00 173.24 173.61 2ekd s ILE 176 N -1.69 0.12 -0.00 1.44 1.01 -0.50 -1.25 121.20 120.32 2ekd s ILE 176 Ca -0.08 0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.83 2ekd s ILE 176 Cb -0.08 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.09 2ekd s ILE 176 CO -0.01 0.17 -0.21 -0.76 0.00 0.00 0.00 174.94 174.14 2ekd s LEU 177 N 1.50 2.39 -0.11 2.97 1.43 0.40 -0.99 118.68 126.27 2ekd s LEU 177 Ca -0.03 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2ekd s LEU 177 Cb -0.13 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.68 2ekd s LEU 177 CO -0.03 0.30 -0.08 -0.70 0.23 0.00 0.00 176.35 176.07 2ekd s GLU 178 N -0.95 1.55 -0.09 1.70 2.12 -0.00 -0.57 118.70 122.47 2ekd s GLU 178 Ca 0.12 -0.27 -0.30 0.00 0.36 0.00 0.00 54.97 54.88 2ekd s GLU 178 Cb -0.10 -1.58 -0.01 0.00 0.26 0.00 0.00 34.13 32.70 2ekd s GLU 178 CO 0.01 -0.24 1.01 0.42 -0.54 0.00 0.00 175.26 175.93 2ekd s ILE 179 N 1.60 4.78 0.32 -3.70 1.01 -0.37 -0.86 121.20 123.97 2ekd s ILE 179 Ca 0.03 2.04 0.03 0.00 0.00 0.00 0.00 60.65 62.75 2ekd s ILE 179 Cb -0.13 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 2ekd s ILE 179 CO -0.07 0.02 0.10 0.42 0.00 0.00 0.00 174.94 175.42 2ekd s THR 180 N 1.89 0.73 0.21 2.92 -4.23 0.26 -4.72 115.64 112.70 2ekd s THR 180 Ca 0.49 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.91 2ekd s THR 180 Cb -0.19 -2.60 0.17 0.00 1.34 0.00 0.00 72.50 71.22 2ekd s THR 180 CO 0.19 0.00 1.87 0.44 -0.54 0.00 0.00 174.62 176.58 2ekd h ASP 181 N 2.14 0.95 0.93 3.99 3.32 -1.97 -2.61 116.42 123.17 2ekd h ASP 181 Ca -0.38 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 2ekd h ASP 181 Cb 1.25 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2ekd h ASP 181 CO 0.61 0.72 -0.28 0.77 -1.72 0.00 0.00 179.24 179.35 2ekd h SER 182 N 1.09 0.00 0.00 6.45 4.64 -2.00 -3.49 113.55 120.24 2ekd h SER 182 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2ekd h SER 182 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2ekd h SER 182 CO -0.06 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 2ekd n GLY 183 N 0.22 -0.26 3.51 -0.77 0.00 -0.98 -4.89 105.19 102.02 2ekd n GLY 183 Ca 0.00 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.06 4.72 -0.00 -0.61 1.01 0.51 -0.58 121.20 123.18 2ekd s ILE 184 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.35 2ekd s ILE 184 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 2ekd s ILE 184 CO 0.00 0.31 0.83 -0.63 0.00 0.00 0.00 174.94 175.46 2ekd s ILE 185 N 1.59 4.87 -0.87 2.92 1.01 -0.04 -1.06 121.20 129.62 2ekd s ILE 185 Ca 0.06 1.75 -0.21 0.00 0.00 0.00 0.00 60.65 62.26 2ekd s ILE 185 Cb -0.15 -4.18 0.10 0.00 0.01 0.00 0.00 42.46 38.24 2ekd s ILE 185 CO 0.06 0.25 1.15 -0.63 0.00 0.00 0.00 174.94 175.77 2ekd s ILE 186 N 0.61 4.43 0.28 2.92 1.01 -0.10 -0.82 121.20 129.52 2ekd s ILE 186 Ca 0.44 -1.03 0.08 0.00 0.00 0.00 0.00 60.65 60.14 2ekd s ILE 186 Cb -0.20 -4.81 -0.01 0.00 0.01 0.00 0.00 42.46 37.45 2ekd s ILE 186 CO 0.24 -1.59 1.63 0.11 0.00 0.00 0.00 174.94 175.33 2ekd h LYS 187 N 9.25 0.10 -3.11 2.79 1.57 -1.37 0.28 116.57 126.08 2ekd h LYS 187 Ca 0.03 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 2ekd h LYS 187 Cb 1.03 0.01 -0.22 0.00 0.08 0.00 0.00 32.23 33.13 2ekd h LYS 187 CO 1.19 0.63 -0.35 0.21 -0.57 0.00 0.00 179.45 180.57 2ekd s LYS 188 N -3.79 0.51 0.04 3.15 2.20 -1.12 -4.58 119.74 116.14 2ekd s LYS 188 Ca -0.03 0.02 -0.28 0.00 -0.36 0.00 0.00 55.97 55.32 2ekd s LYS 188 Cb 0.13 0.23 0.07 0.00 -1.51 0.00 0.00 37.83 36.75 2ekd s LYS 188 CO 0.77 -0.12 0.65 0.45 -0.36 0.00 0.00 175.35 176.74 2ekd s SER 189 N -0.74 -0.62 0.33 1.43 0.15 -1.25 -1.41 113.70 111.58 2ekd s SER 189 Ca -0.08 0.42 0.06 0.00 0.70 0.00 0.00 55.95 57.05 2ekd s SER 189 Cb -0.04 0.56 0.60 0.00 -1.71 0.00 0.00 66.02 65.43 2ekd s SER 189 CO 0.02 -0.76 1.82 0.40 1.20 0.00 0.00 173.24 175.92 2ekd h ILE 190 N 2.58 1.23 -2.49 6.45 2.04 -1.91 -3.38 117.51 122.04 2ekd h ILE 190 Ca -0.30 -1.06 -0.54 0.00 1.00 0.00 0.00 64.86 63.96 2ekd h ILE 190 Cb 1.21 1.31 -0.08 0.00 -0.74 0.00 0.00 36.82 38.52 2ekd h ILE 190 CO 0.39 0.33 1.05 -0.54 0.00 0.00 0.00 178.15 179.38 2ekd s LYS 191 N -4.58 3.23 0.11 2.37 1.02 -1.26 -4.87 119.74 115.75 2ekd s LYS 191 Ca -0.06 -0.14 0.05 0.00 0.02 0.00 0.00 55.97 55.84 2ekd s LYS 191 Cb 0.15 -4.16 0.26 0.00 -0.52 0.00 0.00 37.83 33.55 2ekd s LYS 191 CO 0.76 -2.09 1.00 -0.25 -0.92 0.00 0.00 175.35 173.85 2ekd n ASP 192 N 9.31 0.12 0.03 2.83 9.92 -1.26 -2.40 116.55 135.09 2ekd n ASP 192 Ca 0.04 0.41 -0.22 0.00 -0.53 0.00 0.00 54.79 54.50 2ekd n ASP 192 Cb 0.49 -0.40 -0.14 0.00 -0.64 0.00 0.00 41.12 40.43 2ekd n ASP 192 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2ekd h GLU 193 N 0.00 0.31 0.00 -1.24 4.11 -1.92 -3.39 114.58 112.45 2ekd h GLU 193 Ca 0.00 -0.54 0.00 0.00 0.07 0.00 0.00 59.36 58.89 2ekd h GLU 193 Cb 0.40 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2ekd h GLU 193 CO 0.00 1.26 0.00 0.82 0.07 0.00 0.00 179.01 181.16 2ekd h ILE 194 N 0.09 0.00 -1.98 -1.06 2.04 -1.88 -3.47 117.51 111.24 2ekd h ILE 194 Ca -0.40 -0.41 -0.65 0.00 1.00 0.00 0.00 64.86 64.41 2ekd h ILE 194 Cb 2.06 1.28 0.08 0.00 -0.74 0.00 0.00 36.82 39.49 2ekd h ILE 194 CO 0.12 0.00 0.34 0.00 0.00 0.00 0.00 178.15 178.62 2ekd n ALA 195 N -1.85 -0.57 0.00 1.87 0.00 -1.26 -1.02 120.51 117.69 2ekd n ALA 195 Ca 0.03 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2ekd n ALA 195 Cb 0.32 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 2.14 2.64 3.80 0.00 0.00 0.99 -5.03 105.19 109.73 2ekd n GLY 196 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.34 3.77 -0.08 1.61 -0.14 -0.19 -4.76 119.74 119.61 2ekd s LYS 197 Ca 0.00 1.29 0.03 0.00 -1.36 0.00 0.00 55.97 55.93 2ekd s LYS 197 Cb 0.00 -2.09 -0.02 0.00 -1.68 0.00 0.00 37.83 34.04 2ekd s LYS 197 CO 0.00 -0.45 -0.18 0.42 -0.76 0.00 0.00 175.35 174.39 2ekd s ILE 198 N -2.12 2.72 0.13 2.17 1.01 -1.26 -0.93 121.20 122.93 2ekd s ILE 198 Ca 0.66 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 60.56 2ekd s ILE 198 Cb -0.15 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 2ekd s ILE 198 CO 0.23 0.56 -0.18 0.68 0.00 0.00 0.00 174.94 176.23 2ekd s VAL 199 N -0.22 1.65 -0.56 2.92 -7.23 -0.22 -4.92 120.40 111.82 2ekd s VAL 199 Ca -0.00 -1.69 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 2ekd s VAL 199 Cb -0.13 -1.62 0.22 0.00 0.56 0.00 0.00 36.38 35.41 2ekd s VAL 199 CO 0.03 -0.22 0.59 -1.20 -0.31 0.00 0.00 175.10 173.99 2ekd n SER 200 N 0.73 2.15 0.28 4.85 7.64 -1.26 -0.37 113.62 127.64 2ekd n SER 200 Ca -0.17 -3.07 0.15 0.00 1.01 0.00 0.00 58.87 56.80 2ekd n SER 200 Cb 0.55 -0.67 0.80 0.00 -1.01 0.00 0.00 64.21 63.89 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 4.56 0.00 -0.01 1.43 0.13 -1.97 -2.94 132.00 133.20 2ekd h PRO 201 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2ekd h PRO 201 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2ekd h PRO 201 CO 0.66 0.08 -0.24 1.28 -0.23 0.00 0.00 178.00 179.55 2ekd n LEU 202 N -3.42 0.87 0.00 1.56 4.32 -1.26 -4.86 117.00 114.20 2ekd n LEU 202 Ca -0.01 -0.18 0.08 0.00 -0.02 0.00 0.00 56.01 55.87 2ekd n LEU 202 Cb 0.23 -0.15 0.48 0.00 -1.62 0.00 0.00 43.42 42.36 2ekd n LEU 202 CO 0.28 0.16 0.69 0.00 -1.22 0.00 0.00 177.39 177.30