#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekd n SER 3 N 0.00 0.00 0.32 6.41 3.41 -1.26 0.86 113.62 123.36 2ekd n SER 3 Ca 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.81 2ekd n SER 3 Cb 0.00 0.00 1.10 0.00 -0.26 0.00 0.00 64.21 65.05 2ekd n SER 3 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2ekd h GLU 4 N 0.00 0.00 0.00 4.33 4.57 -1.96 0.17 114.58 121.69 2ekd h GLU 4 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 2ekd h GLU 4 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2ekd h GLU 4 CO 0.00 0.01 -1.10 0.87 -1.18 0.00 0.00 179.01 177.61 2ekd h LYS 5 N 0.00 0.00 -0.44 1.92 1.57 0.01 -3.26 116.57 116.37 2ekd h LYS 5 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2ekd h LYS 5 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2ekd h LYS 5 CO 0.00 0.65 0.10 0.35 -0.57 0.00 0.00 179.45 179.98 2ekd h PHE 6 N 0.00 0.74 0.00 -1.35 3.57 -0.81 -2.81 116.94 116.29 2ekd h PHE 6 Ca -0.09 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 2ekd h PHE 6 Cb 1.69 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 40.22 2ekd h PHE 6 CO 0.00 0.69 -0.01 0.74 -2.23 0.00 0.00 178.31 177.50 2ekd h PHE 7 N 0.58 0.00 0.00 0.41 0.04 -1.30 -1.88 116.94 114.80 2ekd h PHE 7 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2ekd h PHE 7 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 2ekd h PHE 7 CO 0.02 0.01 0.00 1.63 -0.60 0.00 0.00 178.31 179.37 2ekd n LYS 8 N -3.27 0.09 0.25 1.51 5.02 -1.06 -1.85 118.16 118.85 2ekd n LYS 8 Ca -0.02 0.29 0.17 0.00 -2.02 0.00 0.00 58.31 56.73 2ekd n LYS 8 Cb 0.12 -1.66 0.74 0.00 -0.02 0.00 0.00 35.03 34.21 2ekd n LYS 8 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2ekd h LEU 9 N 0.00 0.00 -9.49 -0.35 3.38 -1.47 -3.45 115.31 103.93 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 0.35 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.98 2ekd h LEU 9 CO 0.00 0.00 -0.66 -0.36 0.09 0.00 0.00 178.44 177.51 2ekd s PHE 10 N -3.68 2.50 0.08 1.13 0.08 -0.77 -4.85 117.98 112.47 2ekd s PHE 10 Ca 0.01 -0.38 0.06 0.00 0.12 0.00 0.00 56.93 56.74 2ekd s PHE 10 Cb 0.10 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 2ekd s PHE 10 CO 0.47 0.57 -0.10 1.03 -0.10 0.00 0.00 175.22 177.10 2ekd s ARG 11 N -3.65 2.23 0.43 0.44 0.52 -1.26 -5.03 118.95 112.63 2ekd s ARG 11 Ca 0.33 -0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 54.34 2ekd s ARG 11 Cb -0.02 -2.35 -0.09 0.00 0.52 0.00 0.00 34.95 33.01 2ekd s ARG 11 CO 0.18 0.53 1.29 1.33 0.02 0.00 0.00 175.30 178.66 2ekd n VAL 12 N 0.95 2.63 0.00 3.52 0.24 -1.26 -1.69 118.33 122.73 2ekd n VAL 12 Ca -0.14 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 2ekd n VAL 12 Cb 0.52 -1.61 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 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 0.78 1.68 3.79 7.63 0.00 0.23 -4.75 105.19 114.55 2ekd n GLY 13 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.76 3.47 -0.21 1.61 2.02 -0.68 -0.17 118.70 123.98 2ekd s GLU 14 Ca 0.00 1.34 0.01 0.00 0.02 0.00 0.00 54.97 56.35 2ekd s GLU 14 Cb 0.00 -2.05 0.03 0.00 0.10 0.00 0.00 34.13 32.22 2ekd s GLU 14 CO 0.00 -0.71 -0.16 0.99 0.02 0.00 0.00 175.26 175.40 2ekd s THR 15 N -2.16 2.17 -0.20 3.63 2.01 -1.26 -1.84 115.64 117.99 2ekd s THR 15 Ca 0.67 -1.13 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 2ekd s THR 15 Cb -0.18 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 2ekd s THR 15 CO 0.29 0.36 0.04 -0.69 -0.69 0.00 0.00 174.62 173.92 2ekd s VAL 16 N 1.24 4.35 -0.33 3.82 1.01 0.15 -1.39 120.40 129.26 2ekd s VAL 16 Ca 0.01 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 2ekd s VAL 16 Cb -0.15 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 2ekd s VAL 16 CO -0.10 0.42 0.44 -0.22 0.00 0.00 0.00 175.10 175.64 2ekd s LEU 17 N 0.86 4.31 -0.53 3.92 2.96 0.64 0.46 118.68 131.30 2ekd s LEU 17 Ca 0.02 -0.01 -0.13 0.00 -0.22 0.00 0.00 54.13 53.79 2ekd s LEU 17 Cb -0.14 -2.48 0.13 0.00 0.50 0.00 0.00 46.19 44.20 2ekd s LEU 17 CO 0.02 -0.37 0.46 -0.69 -1.32 0.00 0.00 176.35 174.45 2ekd s VAL 18 N 2.21 4.83 -0.06 1.68 1.01 0.10 -0.15 120.40 130.03 2ekd s VAL 18 Ca 0.16 -1.69 -0.24 0.00 0.00 0.00 0.00 61.98 60.20 2ekd s VAL 18 Cb -0.16 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2ekd s VAL 18 CO 0.12 -0.84 0.75 -1.61 0.00 0.00 0.00 175.10 173.51 2ekd s GLU 19 N 1.39 4.45 0.30 2.72 2.02 0.99 -1.08 118.70 129.50 2ekd s GLU 19 Ca 0.05 0.97 -0.01 0.00 0.02 0.00 0.00 54.97 56.00 2ekd s GLU 19 Cb -0.27 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.49 2ekd s GLU 19 CO 0.01 0.03 0.37 1.52 0.02 0.00 0.00 175.26 177.20 2ekd s TYR 20 N 0.89 1.16 0.39 1.61 -0.85 -0.75 -1.00 117.35 118.80 2ekd s TYR 20 Ca 0.40 -1.33 0.04 0.00 -0.52 0.00 0.00 57.07 55.66 2ekd s TYR 20 Cb -0.18 -0.29 -0.03 0.00 0.38 0.00 0.00 41.96 41.84 2ekd s TYR 20 CO 0.19 -0.96 0.13 -1.54 -1.52 0.00 0.00 175.55 171.85 2ekd s SER 21 N -3.23 2.62 0.54 -0.18 1.04 -1.26 -0.65 113.70 112.58 2ekd s SER 21 Ca 0.33 -1.65 0.26 0.00 0.48 0.00 0.00 55.95 55.38 2ekd s SER 21 Cb 0.02 0.45 1.55 0.00 0.10 0.00 0.00 66.02 68.14 2ekd s SER 21 CO 0.19 -0.91 2.15 1.23 0.98 0.00 0.00 173.24 176.88 2ekd h GLY 22 N 1.86 0.00 0.20 7.32 0.00 -2.00 -2.34 103.07 108.11 2ekd h GLY 22 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2ekd h GLY 22 CO 0.57 0.00 -0.33 -1.30 0.00 0.00 0.00 176.54 175.48 2ekd n THR 23 N -3.86 0.00 0.20 4.70 -2.24 -1.26 -4.26 114.28 107.56 2ekd n THR 23 Ca -0.02 -0.12 0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2ekd n THR 23 Cb 0.16 0.48 0.40 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.15 0.00 -5.36 3.42 0.02 -1.78 -3.47 113.55 107.52 2ekd h SER 24 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 2ekd h SER 24 Cb 0.53 0.00 0.16 0.00 0.14 0.00 0.00 62.40 63.23 2ekd h SER 24 CO 0.00 0.34 -0.72 0.54 -1.14 0.00 0.00 176.83 175.85 2ekd n ARG 25 N -3.98 -5.81 0.32 3.45 1.74 -1.26 -4.85 116.66 106.26 2ekd n ARG 25 Ca -0.02 0.79 0.20 0.00 -0.77 0.00 0.00 57.85 58.05 2ekd n ARG 25 Cb 0.40 -5.60 1.04 0.00 -1.02 0.00 0.00 32.46 27.28 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 0.76 1.23 -0.01 7.54 0.00 -1.91 -1.58 119.26 125.30 2ekd h ALA 26 Ca -0.55 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2ekd h ALA 26 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2ekd h ALA 26 CO 0.46 -0.13 0.01 1.05 0.00 0.00 0.00 179.25 180.64 2ekd h GLU 27 N 0.00 0.00 -0.50 0.00 9.09 -1.93 -1.48 114.58 119.77 2ekd h GLU 27 Ca 0.01 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.31 2ekd h GLU 27 Cb 0.25 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 2ekd h GLU 27 CO -0.00 0.00 -0.13 -0.07 0.05 0.00 0.00 179.01 178.86 2ekd h LEU 28 N 0.00 0.97 -0.77 3.06 3.38 -1.63 -0.37 115.31 119.95 2ekd h LEU 28 Ca 0.00 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 2ekd h LEU 28 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2ekd h LEU 28 CO -0.00 1.12 -0.44 0.25 0.09 0.00 0.00 178.44 179.46 2ekd h LEU 29 N 0.82 0.42 -0.42 1.67 5.85 -1.47 -1.86 115.31 120.33 2ekd h LEU 29 Ca 0.12 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 2ekd h LEU 29 Cb 0.70 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2ekd h LEU 29 CO 0.05 0.81 -0.05 0.25 -0.34 0.00 0.00 178.44 179.16 2ekd h LEU 30 N 0.32 0.78 -0.25 2.25 5.85 -1.23 -1.75 115.31 121.28 2ekd h LEU 30 Ca 0.02 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 2ekd h LEU 30 Cb 0.91 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2ekd h LEU 30 CO 0.08 0.93 0.14 0.22 -0.34 0.00 0.00 178.44 179.47 2ekd h TYR 31 N 0.61 0.35 -0.81 1.25 3.20 -0.92 -1.73 116.97 118.92 2ekd h TYR 31 Ca 0.11 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.08 2ekd h TYR 31 Cb 0.56 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.65 2ekd h TYR 31 CO 0.04 0.30 0.43 -0.92 -1.64 0.00 0.00 178.16 176.38 2ekd h TYR 32 N 0.30 0.78 -0.51 -3.82 3.20 -1.20 0.21 116.97 115.92 2ekd h TYR 32 Ca 0.09 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 2ekd h TYR 32 Cb 0.06 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 2ekd h TYR 32 CO -0.03 0.28 -0.14 0.82 -1.64 0.00 0.00 178.16 177.44 2ekd h ILE 33 N 0.70 1.27 0.08 1.81 2.04 -0.98 -3.31 117.51 119.11 2ekd h ILE 33 Ca 0.40 -1.29 -0.15 0.00 1.00 0.00 0.00 64.86 64.83 2ekd h ILE 33 Cb 0.44 1.01 0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2ekd h ILE 33 CO -0.28 0.45 -0.64 0.58 0.00 0.00 0.00 178.15 178.26 2ekd h VAL 34 N 0.87 1.52 -2.53 1.67 2.07 -0.68 -3.41 116.25 115.76 2ekd h VAL 34 Ca 0.13 -2.36 -0.53 0.00 0.82 0.00 0.00 66.70 64.76 2ekd h VAL 34 Cb 0.70 3.04 0.05 0.00 -1.52 0.00 0.00 31.29 33.55 2ekd h VAL 34 CO 0.05 0.67 1.08 -3.20 0.02 0.00 0.00 177.57 176.19 2ekd n ASN 35 N -4.22 4.02 -2.59 0.57 5.15 0.66 -2.73 115.26 116.13 2ekd n ASN 35 Ca -0.12 1.01 -0.16 0.00 -0.60 0.00 0.00 54.58 54.70 2ekd n ASN 35 Cb 0.73 -1.55 -0.00 0.00 -0.53 0.00 0.00 39.78 38.42 2ekd n ASN 35 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2ekd n ASN 36 N 5.17 -4.45 -4.72 1.20 3.02 -1.26 -4.92 115.26 109.29 2ekd n ASN 36 Ca 0.17 0.05 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 2ekd n ASN 36 Cb 0.36 -3.74 -0.03 0.00 -0.61 0.00 0.00 39.78 35.77 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 -2.17 6.92 0.23 6.41 0.15 -1.10 -4.90 113.70 119.24 2ekd s SER 37 Ca 0.07 2.25 0.26 0.00 0.70 0.00 0.00 55.95 59.23 2ekd s SER 37 Cb -0.04 -2.59 0.75 0.00 -1.71 0.00 0.00 66.02 62.44 2ekd s SER 37 CO 0.09 -0.57 1.75 0.11 1.20 0.00 0.00 173.24 175.82 2ekd h LYS 38 N 6.51 0.00 -5.99 5.44 1.57 -1.93 -3.44 116.57 118.74 2ekd h LYS 38 Ca -0.42 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.69 2ekd h LYS 38 Cb 1.21 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.40 2ekd h LYS 38 CO 0.83 0.00 -0.59 -0.51 -0.57 0.00 0.00 179.45 178.61 2ekd s LEU 39 N -4.72 3.79 0.39 2.94 1.43 -1.26 -5.07 118.68 116.18 2ekd s LEU 39 Ca 0.10 0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 53.09 2ekd s LEU 39 Cb 0.12 -2.07 -0.11 0.00 0.03 0.00 0.00 46.19 44.15 2ekd s LEU 39 CO 0.61 0.32 1.23 -2.65 0.23 0.00 0.00 176.35 176.09 2ekd n PRO 40 N 1.58 1.89 -4.42 1.29 -0.02 -1.26 -4.69 135.00 129.37 2ekd n PRO 40 Ca -0.16 0.67 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 2ekd n PRO 40 Cb 0.53 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.61 2ekd n PRO 40 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ekd s ILE 41 N -1.17 4.05 -0.14 4.25 -1.09 -1.26 -1.12 121.20 124.72 2ekd s ILE 41 Ca 0.59 -0.33 -0.02 0.00 -2.23 0.00 0.00 60.65 58.66 2ekd s ILE 41 Cb -0.54 -2.72 0.04 0.00 -1.58 0.00 0.00 42.46 37.66 2ekd s ILE 41 CO 0.59 0.56 0.01 -0.69 -1.23 0.00 0.00 174.94 174.18 2ekd s VAL 42 N -0.37 0.52 -0.23 2.92 1.01 -0.77 -3.09 120.40 120.40 2ekd s VAL 42 Ca 0.06 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 2ekd s VAL 42 Cb -0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2ekd s VAL 42 CO 0.02 0.04 0.19 -0.69 0.00 0.00 0.00 175.10 174.66 2ekd s VAL 43 N 1.89 5.35 -0.41 2.92 1.01 -0.12 -3.09 120.40 127.94 2ekd s VAL 43 Ca 0.02 0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.06 2ekd s VAL 43 Cb -0.15 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.73 2ekd s VAL 43 CO -0.07 0.35 0.54 -1.81 0.00 0.00 0.00 175.10 174.11 2ekd s ASP 44 N 0.95 6.27 -0.50 3.32 1.01 -0.19 -0.45 116.67 127.08 2ekd s ASP 44 Ca 0.09 -0.40 -0.15 0.00 0.71 0.00 0.00 52.55 52.80 2ekd s ASP 44 Cb -0.13 -2.27 0.11 0.00 1.01 0.00 0.00 42.92 41.63 2ekd s ASP 44 CO 0.04 -0.65 0.44 -0.62 0.21 0.00 0.00 175.17 174.59 2ekd s ASP 45 N 1.88 6.08 -0.21 0.27 2.15 -0.12 -1.39 116.67 125.34 2ekd s ASP 45 Ca 0.18 -1.66 -0.19 0.00 0.43 0.00 0.00 52.55 51.31 2ekd s ASP 45 Cb -0.15 -2.16 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 2ekd s ASP 45 CO 0.16 -0.76 0.53 -0.63 -0.17 0.00 0.00 175.17 174.30 2ekd s ILE 46 N 1.57 5.09 -1.36 4.11 1.01 -0.62 -4.43 121.20 126.57 2ekd s ILE 46 Ca 0.04 0.97 -0.03 0.00 0.00 0.00 0.00 60.65 61.62 2ekd s ILE 46 Cb -0.28 -3.85 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 2ekd s ILE 46 CO 0.03 0.16 0.48 0.18 0.00 0.00 0.00 174.94 175.79 2ekd n LEU 47 N 4.93 -2.32 -3.08 2.97 4.77 -1.26 -2.35 117.00 120.66 2ekd n LEU 47 Ca -0.04 -1.00 -0.21 0.00 -0.03 0.00 0.00 56.01 54.72 2ekd n LEU 47 Cb 0.50 -2.26 0.01 0.00 -2.33 0.00 0.00 43.42 39.34 2ekd n LEU 47 CO 0.42 0.44 -0.05 0.47 -1.33 0.00 0.00 177.39 177.34 2ekd n ASP 48 N -2.94 -4.57 0.11 -1.43 8.00 -1.26 -4.85 116.55 109.62 2ekd n ASP 48 Ca -0.28 -0.25 -0.02 0.00 0.71 0.00 0.00 54.79 54.95 2ekd n ASP 48 Cb 0.67 -3.76 0.06 0.00 -0.02 0.00 0.00 41.12 38.07 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 -0.92 1.38 -0.38 -3.53 2.02 -1.77 -3.15 112.91 106.57 2ekd h THR 49 Ca -0.44 -2.56 -0.06 0.00 0.77 0.00 0.00 66.41 64.12 2ekd h THR 49 Cb 1.30 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 70.12 2ekd h THR 49 CO 0.52 0.70 -0.04 0.22 0.37 0.00 0.00 175.52 177.29 2ekd h TYR 50 N 0.00 0.65 -0.26 3.16 3.20 -1.89 -2.22 116.97 119.61 2ekd h TYR 50 Ca -0.01 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.70 2ekd h TYR 50 Cb 1.37 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 2ekd h TYR 50 CO 0.00 0.65 -0.19 -0.92 -1.64 0.00 0.00 178.16 176.05 2ekd h TYR 51 N 0.58 0.51 -0.30 -3.82 3.20 -1.85 -0.98 116.97 114.30 2ekd h TYR 51 Ca 0.11 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 2ekd h TYR 51 Cb 0.42 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2ekd h TYR 51 CO 0.02 0.63 -0.12 0.93 -1.64 0.00 0.00 178.16 177.98 2ekd h GLU 52 N 0.42 0.62 -0.08 1.82 5.08 -1.43 0.19 114.58 121.20 2ekd h GLU 52 Ca 0.07 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2ekd h GLU 52 Cb 0.58 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ekd h GLU 52 CO 0.04 0.83 0.03 0.74 -1.00 0.00 0.00 179.01 179.65 2ekd h PHE 53 N 0.38 0.12 -0.42 4.33 -1.00 -1.32 -1.81 116.94 117.22 2ekd h PHE 53 Ca 0.07 -0.01 0.06 0.00 2.81 0.00 0.00 57.97 60.90 2ekd h PHE 53 Cb 0.63 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 40.11 2ekd h PHE 53 CO 0.06 0.26 0.13 -0.92 -1.61 0.00 0.00 178.31 176.22 2ekd h TYR 54 N -0.05 0.22 -0.79 -0.55 3.20 -1.13 -1.36 116.97 116.51 2ekd h TYR 54 Ca 0.03 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2ekd h TYR 54 Cb 0.19 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2ekd h TYR 54 CO -0.01 0.07 0.35 1.15 -1.64 0.00 0.00 178.16 178.08 2ekd h THR 55 N 0.28 1.25 -0.22 1.81 2.02 -0.82 -0.52 112.91 116.71 2ekd h THR 55 Ca 0.20 -0.75 -0.14 0.00 0.77 0.00 0.00 66.41 66.49 2ekd h THR 55 Cb 0.21 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2ekd h THR 55 CO -0.22 0.31 -0.43 0.03 0.37 0.00 0.00 175.52 175.58 2ekd h ARG 56 N 1.13 0.55 -0.34 6.66 3.08 -0.93 -2.31 114.38 122.21 2ekd h ARG 56 Ca 0.27 -0.29 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 2ekd h ARG 56 Cb 0.16 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2ekd h ARG 56 CO -0.03 0.87 -0.31 -0.07 -1.07 0.00 0.00 179.97 179.37 2ekd h LEU 57 N 0.44 0.87 -0.25 3.04 3.38 -0.98 -2.15 115.31 119.66 2ekd h LEU 57 Ca 0.03 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2ekd h LEU 57 Cb 0.93 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2ekd h LEU 57 CO 0.08 1.14 0.17 0.50 0.09 0.00 0.00 178.44 180.42 2ekd h LYS 58 N 0.60 0.34 -0.12 1.13 3.64 -1.02 -1.43 116.57 119.71 2ekd h LYS 58 Ca 0.06 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2ekd h LYS 58 Cb 0.88 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2ekd h LYS 58 CO 0.08 0.23 -0.08 0.28 -2.27 0.00 0.00 179.45 177.68 2ekd h VAL 59 N 0.34 1.14 0.00 2.00 2.07 -1.40 -0.44 116.25 119.96 2ekd h VAL 59 Ca 0.09 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2ekd h VAL 59 Cb -0.03 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2ekd h VAL 59 CO -0.02 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.75 2ekd n ALA 60 N -2.50 2.34 -0.53 1.67 0.00 -0.61 -4.88 120.51 116.00 2ekd n ALA 60 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2ekd n ALA 60 Cb 0.22 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.63 0.71 3.81 0.00 0.00 -0.17 -5.05 105.19 105.11 2ekd n GLY 61 Ca 0.16 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 3.10 -0.64 1.61 0.40 -0.78 -4.96 117.98 114.71 2ekd s PHE 62 Ca 0.00 1.50 -0.25 0.00 -0.60 0.00 0.00 56.93 57.57 2ekd s PHE 62 Cb 0.00 -2.96 0.04 0.00 0.51 0.00 0.00 43.02 40.62 2ekd s PHE 62 CO 0.00 -0.96 1.10 0.34 0.70 0.00 0.00 175.22 176.40 2ekd s ASP 63 N -2.90 6.26 -0.04 1.36 -1.08 -1.26 -4.65 116.67 114.36 2ekd s ASP 63 Ca 0.62 -0.48 0.09 0.00 -0.52 0.00 0.00 52.55 52.26 2ekd s ASP 63 Cb -0.15 -2.49 0.34 0.00 -1.46 0.00 0.00 42.92 39.17 2ekd s ASP 63 CO 0.37 -1.52 1.20 1.33 0.52 0.00 0.00 175.17 177.06 2ekd n VAL 64 N 6.26 0.80 -0.21 1.11 0.24 -1.26 -4.30 118.33 120.97 2ekd n VAL 64 Ca 0.02 -0.55 -0.03 0.00 -2.04 0.00 0.00 64.34 61.74 2ekd n VAL 64 Cb 0.48 -0.01 0.08 0.00 -1.47 0.00 0.00 33.84 32.91 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 3.38 0.81 -0.51 2.33 0.00 -2.00 -1.93 119.26 121.35 2ekd h ALA 65 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2ekd h ALA 65 Cb 0.76 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2ekd h ALA 65 CO 0.09 0.03 0.35 -1.35 0.00 0.00 0.00 179.25 178.38 2ekd h PRO 66 N 0.65 0.17 0.00 0.00 0.11 -1.98 -0.03 132.00 130.92 2ekd h PRO 66 Ca 0.27 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.26 2ekd h PRO 66 Cb 0.14 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2ekd h PRO 66 CO -0.16 0.11 -0.51 -0.07 -0.21 0.00 0.00 178.00 177.17 2ekd h LEU 67 N 0.17 0.00 0.00 2.35 4.07 -1.67 -3.12 115.31 117.12 2ekd h LEU 67 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 2ekd h LEU 67 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 2ekd h LEU 67 CO -0.04 0.51 -0.16 -0.33 -1.08 0.00 0.00 178.44 177.34 2ekd h GLU 68 N 0.00 0.00 -0.02 1.13 5.08 -0.82 -3.33 114.58 116.62 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 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2ekd h GLU 68 CO 0.07 0.00 -0.24 0.09 -1.00 0.00 0.00 179.01 177.93 2ekd n ASN 69 N -2.39 2.39 -4.88 1.42 3.02 -0.98 -3.39 115.26 110.46 2ekd n ASN 69 Ca 0.05 -1.70 -0.30 0.00 -0.03 0.00 0.00 54.58 52.59 2ekd n ASN 69 Cb 0.45 0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 39.82 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 -2.25 4.84 0.30 2.41 -7.23 -1.23 -4.73 120.40 112.51 2ekd s VAL 70 Ca 0.24 0.51 -0.28 0.00 -1.81 0.00 0.00 61.98 60.63 2ekd s VAL 70 Cb 0.19 -3.71 -0.09 0.00 0.56 0.00 0.00 36.38 33.32 2ekd s VAL 70 CO 0.44 -0.41 1.05 -1.10 -0.31 0.00 0.00 175.10 174.77 2ekd s GLN 71 N -3.63 4.58 -0.01 4.82 -0.21 -1.18 -1.00 119.66 123.03 2ekd s GLN 71 Ca 0.50 1.65 0.03 0.00 0.02 0.00 0.00 55.36 57.55 2ekd s GLN 71 Cb -0.10 -3.05 -0.01 0.00 1.00 0.00 0.00 33.01 30.85 2ekd s GLN 71 CO 0.29 0.21 -0.09 0.08 -2.12 0.00 0.00 175.29 173.66 2ekd s VAL 72 N -1.30 0.67 -0.30 1.09 1.01 0.13 -0.94 120.40 120.76 2ekd s VAL 72 Ca 0.47 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 2ekd s VAL 72 Cb -0.28 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 35.58 2ekd s VAL 72 CO 0.35 0.19 0.01 -0.63 0.00 0.00 0.00 175.10 175.02 2ekd s ILE 73 N -0.20 3.07 0.00 2.22 1.01 0.40 -0.52 121.20 127.18 2ekd s ILE 73 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.35 2ekd s ILE 73 Cb -0.03 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.69 2ekd s ILE 73 CO -0.00 -0.10 0.00 0.29 0.00 0.00 0.00 174.94 175.13 2ekd n LYS 74 N 4.65 1.01 0.00 2.79 5.02 -0.12 -0.94 118.16 130.56 2ekd n LYS 74 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2ekd n LYS 74 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 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 -0.38 -0.32 105.19 110.21 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 -2.27 0.00 -0.02 0.00 -1.26 -4.48 105.19 97.16 2ekd n GLY 77 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.65 0.00 -3.45 2.61 -2.24 -1.26 -4.93 114.28 103.36 2ekd n THR 78 Ca 0.00 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 2ekd n THR 78 Cb 0.00 1.46 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.04 2.97 -0.17 -0.78 -0.14 -1.26 -5.06 119.74 115.26 2ekd s LYS 79 Ca 0.00 -1.04 -0.22 0.00 -1.36 0.00 0.00 55.97 53.35 2ekd s LYS 79 Cb 0.00 -3.99 -0.03 0.00 -1.68 0.00 0.00 37.83 32.13 2ekd s LYS 79 CO 0.00 -0.77 0.68 -0.51 -0.76 0.00 0.00 175.35 173.99 2ekd s ASP 80 N 1.75 6.79 -0.04 2.83 1.11 -1.26 -4.78 116.67 123.06 2ekd s ASP 80 Ca 0.05 0.97 -0.00 0.00 0.18 0.00 0.00 52.55 53.75 2ekd s ASP 80 Cb -0.19 -2.38 0.03 0.00 1.07 0.00 0.00 42.92 41.44 2ekd s ASP 80 CO 0.10 -0.26 -0.00 -0.63 1.18 0.00 0.00 175.17 175.55 2ekd s ILE 81 N 1.73 0.28 0.00 0.77 -1.09 -1.26 -5.07 121.20 116.57 2ekd s ILE 81 Ca 0.32 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 2ekd s ILE 81 Cb -0.16 -0.39 0.00 0.00 -1.58 0.00 0.00 42.46 40.33 2ekd s ILE 81 CO 0.12 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 2ekd n GLY 82 N 4.46 -2.66 3.49 6.18 0.00 -1.26 -4.70 105.19 110.70 2ekd n GLY 82 Ca -0.19 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.57 3.32 -0.41 1.61 0.52 -0.17 -4.89 118.95 118.37 2ekd s ARG 83 Ca 0.00 -0.98 -0.28 0.00 -0.52 0.00 0.00 55.73 53.95 2ekd s ARG 83 Cb 0.00 -4.57 -0.00 0.00 0.52 0.00 0.00 34.95 30.89 2ekd s ARG 83 CO 0.00 -1.94 1.60 0.08 0.02 0.00 0.00 175.30 175.06 2ekd s VAL 84 N 4.24 3.68 -2.37 3.52 1.01 -1.26 0.18 120.40 129.40 2ekd s VAL 84 Ca 0.31 0.67 0.25 0.00 0.00 0.00 0.00 61.98 63.21 2ekd s VAL 84 Cb -0.09 -3.99 0.21 0.00 0.00 0.00 0.00 36.38 32.51 2ekd s VAL 84 CO 0.03 -0.67 1.36 2.30 0.00 0.00 0.00 175.10 178.12 2ekd n ILE 85 N 7.21 0.00 -3.59 2.22 -5.35 0.32 -4.89 119.36 115.27 2ekd n ILE 85 Ca 0.19 -0.31 -0.10 0.00 -0.27 0.00 0.00 62.75 62.27 2ekd n ILE 85 Cb 0.48 1.02 -0.05 0.00 -1.74 0.00 0.00 39.64 39.35 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 -2.24 -0.22 -0.10 3.28 0.00 -1.21 -5.02 107.32 101.80 2ekd s GLY 86 Ca 0.26 2.16 -0.00 0.00 0.00 0.00 0.00 44.72 47.14 2ekd s GLY 86 CO 0.43 1.12 -0.07 0.50 0.00 0.00 0.00 173.10 175.09 2ekd s ARG 87 N -0.96 1.37 -0.07 2.90 0.52 -1.26 -0.94 118.95 120.50 2ekd s ARG 87 Ca -0.00 -0.20 0.05 0.00 -0.52 0.00 0.00 55.73 55.05 2ekd s ARG 87 Cb -0.01 -1.46 -0.01 0.00 0.52 0.00 0.00 34.95 33.99 2ekd s ARG 87 CO 0.00 -0.25 -0.22 -0.51 0.02 0.00 0.00 175.30 174.35 2ekd s LEU 88 N 1.66 2.26 0.53 2.53 1.43 0.57 -4.99 118.68 122.66 2ekd s LEU 88 Ca 0.03 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.51 2ekd s LEU 88 Cb -0.13 -1.44 -0.07 0.00 0.03 0.00 0.00 46.19 44.59 2ekd s LEU 88 CO -0.07 0.24 1.02 0.20 0.23 0.00 0.00 176.35 177.97 2ekd s ASN 89 N -0.11 6.32 -0.16 2.29 0.02 -1.26 -1.25 114.94 120.78 2ekd s ASN 89 Ca -0.04 1.74 -0.03 0.00 -1.02 0.00 0.00 52.86 53.51 2ekd s ASN 89 Cb -0.14 -2.53 -0.02 0.00 0.02 0.00 0.00 41.25 38.58 2ekd s ASN 89 CO 0.04 -0.80 -0.07 -0.63 0.02 0.00 0.00 177.10 175.67 2ekd s ILE 90 N -2.38 3.52 -0.07 0.60 1.01 -1.26 -4.57 121.20 118.05 2ekd s ILE 90 Ca 0.63 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2ekd s ILE 90 Cb -0.13 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.82 2ekd s ILE 90 CO 0.29 0.48 -0.05 -0.55 0.00 0.00 0.00 174.94 175.11 2ekd s SER 91 N 0.64 1.46 -1.88 3.58 0.15 -1.08 -4.72 113.70 111.84 2ekd s SER 91 Ca -0.04 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2ekd s SER 91 Cb -0.15 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 2ekd s SER 91 CO 0.02 -0.09 0.00 0.29 1.20 0.00 0.00 173.24 174.67 2ekd n LYS 92 N 4.45 -1.63 -2.32 5.44 5.02 -1.26 -2.65 118.16 125.21 2ekd n LYS 92 Ca -0.18 1.06 -0.18 0.00 -2.02 0.00 0.00 58.31 57.00 2ekd n LYS 92 Cb 0.51 -5.68 -0.01 0.00 -0.02 0.00 0.00 35.03 29.83 2ekd n LYS 92 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2ekd n TYR 93 N -3.70 -0.83 -4.25 2.13 4.01 -1.26 -4.83 117.16 108.44 2ekd n TYR 93 Ca -0.24 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.35 2ekd n TYR 93 Cb 0.69 -3.54 -0.09 0.00 -0.31 0.00 0.00 39.34 36.09 2ekd n TYR 93 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2ekd s VAL 94 N -2.89 0.06 0.10 -0.72 -7.23 -1.08 -4.80 120.40 103.84 2ekd s VAL 94 Ca 0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2ekd s VAL 94 Cb 0.00 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 2ekd s VAL 94 CO 0.00 0.00 -0.17 0.27 -0.31 0.00 0.00 175.10 174.89 2ekd s ILE 95 N -3.86 2.90 0.08 -0.62 -4.36 -1.26 -2.65 121.20 111.43 2ekd s ILE 95 Ca 0.39 -1.40 -0.31 0.00 -0.26 0.00 0.00 60.65 59.07 2ekd s ILE 95 Cb 0.05 -2.31 -0.08 0.00 1.25 0.00 0.00 42.46 41.37 2ekd s ILE 95 CO 0.18 0.16 1.62 -0.55 0.24 0.00 0.00 174.94 176.58 2ekd s SER 96 N -1.99 6.62 0.17 4.36 0.15 -1.26 -4.88 113.70 116.85 2ekd s SER 96 Ca 0.18 2.49 -0.12 0.00 0.70 0.00 0.00 55.95 59.19 2ekd s SER 96 Cb -0.11 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.69 2ekd s SER 96 CO 0.09 -0.86 1.68 -0.08 1.20 0.00 0.00 173.24 175.27 2ekd h GLU 97 N 8.03 0.90 0.07 5.44 4.81 -1.99 -1.53 114.58 130.30 2ekd h GLU 97 Ca -0.42 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 58.60 2ekd h GLU 97 Cb 1.20 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 2ekd h GLU 97 CO 0.92 0.83 -0.04 0.37 -0.73 0.00 0.00 179.01 180.36 2ekd h GLN 98 N 0.81 -0.11 -0.86 1.92 -0.00 -2.05 -2.64 115.11 112.17 2ekd h GLN 98 Ca 0.18 0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.87 2ekd h GLN 98 Cb 0.32 0.02 -0.05 0.00 0.00 0.00 0.00 27.48 27.78 2ekd h GLN 98 CO -0.00 -0.07 0.57 0.93 0.00 0.00 0.00 178.83 180.25 2ekd h GLU 99 N -0.11 1.07 -0.30 1.69 5.08 -1.92 -0.44 114.58 119.64 2ekd h GLU 99 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2ekd h GLU 99 Cb 0.10 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2ekd h GLU 99 CO 0.00 0.71 0.00 0.98 -1.00 0.00 0.00 179.01 179.70 2ekd n TYR 100 N -4.43 0.00 0.00 4.33 9.36 -0.59 -2.09 117.16 123.74 2ekd n TYR 100 Ca 0.11 -0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.32 2ekd n TYR 100 Cb 0.09 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 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 0.43 0.00 0.01 2.98 2.13 -0.18 -1.20 120.64 124.81 2ekd n GLU 102 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 2ekd n GLU 102 Cb 0.05 0.00 -0.14 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 0.72 0.00 6.31 2.04 -1.69 -3.36 117.51 121.53 2ekd h ILE 103 Ca 0.00 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.40 2ekd h ILE 103 Cb 0.00 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2ekd h ILE 103 CO 0.00 0.80 0.00 1.33 0.00 0.00 0.00 178.15 180.28 2ekd n VAL 104 N -3.39 0.00 0.08 1.67 0.24 -0.34 -3.18 118.33 113.41 2ekd n VAL 104 Ca -0.27 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 61.95 2ekd n VAL 104 Cb 1.05 -0.48 -0.08 0.00 -1.47 0.00 0.00 33.84 32.86 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 0.00 0.07 0.00 -1.34 4.64 -1.84 -3.21 113.55 111.87 2ekd h SER 105 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2ekd h SER 105 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2ekd h SER 105 CO 0.00 0.99 0.00 0.00 -0.87 0.00 0.00 176.83 176.95 2ekd n GLN 106 N -3.45 0.71 -4.91 4.77 10.64 -1.19 -4.76 117.38 119.19 2ekd n GLN 106 Ca -0.01 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.84 2ekd n GLN 106 Cb 0.90 -1.35 -0.14 0.00 -0.86 0.00 0.00 30.24 28.79 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 0.00 2.45 0.00 2.61 1.43 -1.21 -5.13 118.68 118.82 2ekd s LEU 107 Ca 0.00 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2ekd s LEU 107 Cb 0.00 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 2ekd s LEU 107 CO 0.00 0.30 0.16 1.17 0.23 0.00 0.00 176.35 178.20 2ekd n LYS 108 N 2.00 0.23 -3.19 1.70 3.00 -1.26 -4.94 118.16 115.70 2ekd n LYS 108 Ca -0.16 -1.81 -0.14 0.00 -0.00 0.00 0.00 58.31 56.19 2ekd n LYS 108 Cb 0.52 1.49 0.07 0.00 0.00 0.00 0.00 35.03 37.12 2ekd n LYS 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2ekd n ASP 109 N -2.28 -3.15 -4.81 3.14 9.92 -1.26 -5.02 116.55 113.10 2ekd n ASP 109 Ca 0.04 -0.56 -0.31 0.00 -0.53 0.00 0.00 54.79 53.43 2ekd n ASP 109 Cb 0.33 -4.58 0.06 0.00 -0.64 0.00 0.00 41.12 36.29 2ekd n ASP 109 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2ekd s TYR 110 N -3.32 2.98 0.77 1.24 2.02 -1.26 -4.60 117.35 115.17 2ekd s TYR 110 Ca 0.11 1.46 -0.11 0.00 -0.37 0.00 0.00 57.07 58.16 2ekd s TYR 110 Cb -0.01 -2.92 0.05 0.00 -0.40 0.00 0.00 41.96 38.67 2ekd s TYR 110 CO 0.64 -1.37 1.08 -2.14 -1.57 0.00 0.00 175.55 172.19 2ekd s PRO 111 N -4.99 2.31 0.12 -1.71 0.02 -1.26 -5.11 135.00 124.38 2ekd s PRO 111 Ca 0.59 0.97 0.06 0.00 0.02 0.00 0.00 61.00 62.64 2ekd s PRO 111 Cb -0.15 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 2ekd s PRO 111 CO 0.55 -1.54 -0.15 0.08 -0.33 0.00 0.00 177.00 175.61 2ekd s VAL 112 N -2.99 1.35 -0.25 3.83 1.01 -0.84 -4.38 120.40 118.12 2ekd s VAL 112 Ca 0.60 -1.67 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 2ekd s VAL 112 Cb -0.16 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2ekd s VAL 112 CO 0.56 -0.37 0.38 -0.63 0.00 0.00 0.00 175.10 175.03 2ekd s ILE 113 N -1.99 5.18 -0.75 2.22 -1.09 -0.28 -1.72 121.20 122.77 2ekd s ILE 113 Ca 0.08 0.61 0.02 0.00 -2.23 0.00 0.00 60.65 59.12 2ekd s ILE 113 Cb -0.06 -3.71 0.18 0.00 -1.58 0.00 0.00 42.46 37.30 2ekd s ILE 113 CO 0.03 0.18 0.57 0.21 -1.23 0.00 0.00 174.94 174.69 2ekd s ASN 114 N 1.50 5.23 0.10 3.58 3.04 0.13 -1.84 114.94 126.67 2ekd s ASN 114 Ca 0.16 -3.65 -0.31 0.00 0.04 0.00 0.00 52.86 49.10 2ekd s ASN 114 Cb -0.15 -1.75 -0.08 0.00 -1.54 0.00 0.00 41.25 37.73 2ekd s ASN 114 CO 0.09 -0.16 1.37 -2.84 -3.04 0.00 0.00 177.10 172.53 2ekd s PRO 115 N -1.19 4.33 -0.18 0.43 0.02 -1.18 -1.79 135.00 135.44 2ekd s PRO 115 Ca 0.24 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 2ekd s PRO 115 Cb -0.09 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.15 2ekd s PRO 115 CO -0.12 -0.43 -0.13 0.08 -0.33 0.00 0.00 177.00 176.07 2ekd s VAL 116 N 1.20 2.75 -0.03 3.83 1.01 0.40 -1.03 120.40 128.53 2ekd s VAL 116 Ca 0.64 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2ekd s VAL 116 Cb -0.36 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2ekd s VAL 116 CO 0.30 0.49 -0.23 -0.76 0.00 0.00 0.00 175.10 174.91 2ekd s LEU 117 N 1.13 2.26 0.00 3.92 1.43 -0.48 -1.24 118.68 125.70 2ekd s LEU 117 Ca 0.01 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2ekd s LEU 117 Cb -0.14 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.67 2ekd s LEU 117 CO -0.04 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.47 2ekd n GLY 118 N 2.37 0.79 0.36 -3.19 0.00 -1.25 -1.59 105.19 102.68 2ekd n GLY 118 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 0.89 -2.42 0.99 5.85 -1.86 -1.32 115.31 117.45 2ekd h LEU 119 Ca 0.00 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2ekd h LEU 119 Cb 0.00 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 2ekd h LEU 119 CO 0.00 0.48 0.14 1.12 -0.34 0.00 0.00 178.44 179.84 2ekd h HIS 120 N 0.97 0.00 -0.31 1.25 2.07 -1.91 -1.20 115.15 116.01 2ekd h HIS 120 Ca 0.49 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.89 2ekd h HIS 120 Cb 0.48 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.45 2ekd h HIS 120 CO -0.01 0.00 -0.26 0.87 -3.07 0.00 0.00 177.93 175.46 2ekd h LYS 121 N 0.00 0.73 -0.69 5.12 1.57 -1.64 -1.32 116.57 120.33 2ekd h LYS 121 Ca 0.04 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 2ekd h LYS 121 Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 2ekd h LYS 121 CO -0.00 0.98 0.38 -0.07 -0.57 0.00 0.00 179.45 180.17 2ekd h LEU 122 N 0.49 0.85 -0.16 2.94 3.38 -1.31 -1.96 115.31 119.55 2ekd h LEU 122 Ca 0.06 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2ekd h LEU 122 Cb 0.83 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2ekd h LEU 122 CO 0.07 0.69 -0.61 0.40 0.09 0.00 0.00 178.44 179.08 2ekd h ILE 123 N 0.96 1.31 -0.27 1.22 2.04 -1.39 -1.81 117.51 119.58 2ekd h ILE 123 Ca 0.25 -1.85 -0.06 0.00 1.00 0.00 0.00 64.86 64.20 2ekd h ILE 123 Cb 0.03 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2ekd h ILE 123 CO -0.04 0.58 -0.08 0.25 0.00 0.00 0.00 178.15 178.86 2ekd h LEU 124 N 0.38 0.41 0.11 1.44 5.85 -0.99 -3.25 115.31 119.26 2ekd h LEU 124 Ca -0.03 -0.09 -0.32 0.00 0.84 0.00 0.00 57.88 58.28 2ekd h LEU 124 Cb 1.24 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2ekd h LEU 124 CO 0.13 0.53 -1.64 -0.07 -0.34 0.00 0.00 178.44 177.05 2ekd h LEU 125 N 0.41 0.38-10.46 2.25 3.38 -1.38 -3.48 115.31 106.41 2ekd h LEU 125 Ca 0.08 -0.59 -0.48 0.00 0.09 0.00 0.00 57.88 56.98 2ekd h LEU 125 Cb 0.40 -0.12 0.11 0.00 0.09 0.00 0.00 40.66 41.13 2ekd h LEU 125 CO 0.02 1.50 0.36 -0.83 0.09 0.00 0.00 178.44 179.58 2ekd s GLY 126 N -5.08 1.61 0.90 0.83 0.00 -0.68 -5.07 107.32 99.83 2ekd s GLY 126 Ca -0.11 -0.33 -0.11 0.00 0.00 0.00 0.00 44.72 44.16 2ekd s GLY 126 CO 0.84 0.11 1.23 0.54 0.00 0.00 0.00 173.10 175.82 2ekd s ASN 127 N -4.10 3.40 0.26 1.64 2.20 -1.26 -4.75 114.94 112.33 2ekd s ASN 127 Ca 0.61 0.02 -0.03 0.00 -0.94 0.00 0.00 52.86 52.52 2ekd s ASN 127 Cb -0.13 -0.13 0.42 0.00 -2.00 0.00 0.00 41.25 39.41 2ekd s ASN 127 CO 0.53 -2.53 1.86 0.00 -2.94 0.00 0.00 177.10 174.02 2ekd h THR 128 N -1.34 1.03 -0.27 0.54 1.03 -1.97 0.17 112.91 112.09 2ekd h THR 128 Ca -0.41 -0.36 -0.12 0.00 -0.01 0.00 0.00 66.41 65.50 2ekd h THR 128 Cb 1.24 -0.12 -0.01 0.00 -1.07 0.00 0.00 68.15 68.18 2ekd h THR 128 CO 0.37 0.19 -0.35 -0.26 -0.01 0.00 0.00 175.52 175.46 2ekd h PHE 129 N 1.06 0.70 -0.08 0.00 -1.00 -2.00 -2.69 116.94 112.92 2ekd h PHE 129 Ca 0.43 -0.19 -0.14 0.00 2.81 0.00 0.00 57.97 60.88 2ekd h PHE 129 Cb 0.25 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 2ekd h PHE 129 CO -0.01 0.87 -0.58 0.93 -1.61 0.00 0.00 178.31 177.91 2ekd h GLU 130 N 0.50 0.26 -0.38 1.51 5.08 -1.70 -2.30 114.58 117.56 2ekd h GLU 130 Ca 0.05 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2ekd h GLU 130 Cb 0.84 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2ekd h GLU 130 CO 0.07 0.76 0.24 -0.91 -1.00 0.00 0.00 179.01 178.18 2ekd h ASN 131 N 0.20 0.44 -0.88 1.42 -0.26 -0.79 -0.72 115.58 114.99 2ekd h ASN 131 Ca -0.00 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 2ekd h ASN 131 Cb 1.07 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 38.18 2ekd h ASN 131 CO 0.09 0.34 0.50 0.40 -1.06 0.00 0.00 177.43 177.69 2ekd h ILE 132 N 0.50 1.25 -0.50 2.81 2.04 -1.33 -1.73 117.51 120.55 2ekd h ILE 132 Ca 0.14 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 2ekd h ILE 132 Cb -0.03 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 2ekd h ILE 132 CO -0.03 0.28 0.20 0.78 0.00 0.00 0.00 178.15 179.38 2ekd h ASN 133 N 1.23 0.65 -0.25 1.72 2.35 -0.82 -0.47 115.58 120.00 2ekd h ASN 133 Ca 0.31 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2ekd h ASN 133 Cb 0.01 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2ekd h ASN 133 CO -0.05 0.59 0.12 0.58 -1.65 0.00 0.00 177.43 177.02 2ekd h VAL 134 N 0.71 1.14 -0.93 2.81 2.07 -0.28 -2.38 116.25 119.39 2ekd h VAL 134 Ca 0.17 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2ekd h VAL 134 Cb 0.15 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2ekd h VAL 134 CO -0.02 0.14 0.55 0.58 0.02 0.00 0.00 177.57 178.84 2ekd h VAL 135 N 0.27 1.26 0.00 2.57 2.07 -1.00 -1.57 116.25 119.85 2ekd h VAL 135 Ca 0.09 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2ekd h VAL 135 Cb 0.11 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2ekd h VAL 135 CO -0.01 0.28 0.00 1.17 0.02 0.00 0.00 177.57 179.03 2ekd n LYS 136 N -4.35 0.12 0.00 1.57 3.00 -0.22 -1.16 118.16 117.12 2ekd n LYS 136 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2ekd n LYS 136 Cb 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 33.66 2ekd n LYS 136 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2ekd n VAL 138 N 0.99 0.00 0.22 3.15 0.31 -0.59 -1.58 118.33 120.83 2ekd n VAL 138 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 2ekd n VAL 138 Cb 0.06 0.00 0.50 0.00 -0.91 0.00 0.00 33.84 33.49 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 -0.06 4.52 4.64 -1.43 -2.87 113.55 118.35 2ekd h SER 139 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 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 0.26 0.06 0.78 -0.87 0.00 0.00 176.83 177.06 2ekd h ASN 140 N 0.00 0.00 0.05 4.97 2.35 -1.56 -2.75 115.58 118.64 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 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2ekd h ASN 140 CO 0.03 0.00 -1.02 -1.22 -1.65 0.00 0.00 177.43 173.57 2ekd n TYR 141 N -4.03 0.01 -1.71 1.19 4.01 -1.08 -4.96 117.16 110.59 2ekd n TYR 141 Ca -0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 2ekd n TYR 141 Cb 0.16 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.56 0.55 0.00 -0.72 0.31 -1.04 -2.77 118.33 113.11 2ekd n VAL 142 Ca 0.04 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2ekd n VAL 142 Cb 0.35 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 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 2.87 2.69 3.63 2.92 0.00 0.76 -5.04 105.19 113.02 2ekd n GLY 143 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.99 3.84 0.00 1.61 1.70 -1.11 -4.69 118.95 119.30 2ekd s ARG 144 Ca 0.00 1.36 0.10 0.00 -0.47 0.00 0.00 55.73 56.71 2ekd s ARG 144 Cb 0.00 -3.95 0.52 0.00 -0.57 0.00 0.00 34.95 30.96 2ekd s ARG 144 CO 0.00 -1.22 1.15 0.39 -1.08 0.00 0.00 175.30 174.53 2ekd n GLU 145 N 7.50 0.19 0.04 3.89 1.02 -1.26 -3.00 120.64 129.03 2ekd n GLU 145 Ca 0.16 0.14 0.09 0.00 -0.02 0.00 0.00 57.16 57.52 2ekd n GLU 145 Cb 0.46 -1.50 0.37 0.00 -0.02 0.00 0.00 31.44 30.75 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 -1.20 0.06 -3.82 3.49 0.28 -1.26 -4.43 120.64 113.77 2ekd n GLU 146 Ca 0.05 0.31 -0.05 0.00 -0.16 0.00 0.00 57.16 57.31 2ekd n GLU 146 Cb 0.06 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.31 2ekd n GLU 146 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 2ekd s ARG 147 N -3.11 1.53 -0.18 3.44 3.03 -1.16 -1.98 118.95 120.53 2ekd s ARG 147 Ca 0.06 -0.92 0.00 0.00 2.03 0.00 0.00 55.73 56.90 2ekd s ARG 147 Cb 0.09 0.48 0.04 0.00 -1.03 0.00 0.00 34.95 34.53 2ekd s ARG 147 CO 0.31 -0.71 -0.08 0.42 -1.13 0.00 0.00 175.30 174.10 2ekd s ILE 148 N -2.92 1.40 -0.05 4.99 1.01 -0.70 -0.60 121.20 124.33 2ekd s ILE 148 Ca 0.15 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 2ekd s ILE 148 Cb -0.03 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 2ekd s ILE 148 CO 0.06 0.17 0.29 0.00 0.00 0.00 0.00 174.94 175.45 2ekd s ALA 149 N 1.51 3.78 -0.30 9.38 0.00 -0.77 -0.69 121.76 134.67 2ekd s ALA 149 Ca -0.00 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.58 2ekd s ALA 149 Cb -0.16 -2.19 0.08 0.00 0.00 0.00 0.00 23.12 20.85 2ekd s ALA 149 CO -0.08 0.55 -0.00 -0.06 0.00 0.00 0.00 175.76 176.17 2ekd s PHE 150 N -1.06 3.32 -0.58 0.00 0.08 -0.74 0.31 117.98 119.31 2ekd s PHE 150 Ca 0.20 -2.59 -0.22 0.00 0.12 0.00 0.00 56.93 54.44 2ekd s PHE 150 Cb -0.15 -2.42 0.06 0.00 -0.57 0.00 0.00 43.02 39.94 2ekd s PHE 150 CO 0.09 -0.91 0.88 0.71 -0.10 0.00 0.00 175.22 175.89 2ekd s TYR 151 N 1.06 2.81 -0.49 0.36 1.51 0.17 -0.46 117.35 122.33 2ekd s TYR 151 Ca 0.04 -0.33 -0.29 0.00 -1.01 0.00 0.00 57.07 55.48 2ekd s TYR 151 Cb -0.19 -4.04 0.03 0.00 -0.11 0.00 0.00 41.96 37.65 2ekd s TYR 151 CO -0.08 -1.38 1.14 -0.06 -1.11 0.00 0.00 175.55 174.05 2ekd s PHE 152 N 3.67 2.80 -0.02 2.71 0.40 -0.37 0.03 117.98 127.19 2ekd s PHE 152 Ca 0.24 0.68 0.05 0.00 -0.60 0.00 0.00 56.93 57.29 2ekd s PHE 152 Cb -0.16 -4.44 -0.01 0.00 0.51 0.00 0.00 43.02 38.92 2ekd s PHE 152 CO 0.14 -1.30 -0.17 0.14 0.70 0.00 0.00 175.22 174.73 2ekd s VAL 153 N 4.49 1.36 -0.63 -0.44 -7.23 -0.24 -3.86 120.40 113.85 2ekd s VAL 153 Ca 0.47 -0.72 -0.27 0.00 -1.81 0.00 0.00 61.98 59.64 2ekd s VAL 153 Cb -0.07 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.74 2ekd s VAL 153 CO 0.31 0.39 1.38 0.21 -0.31 0.00 0.00 175.10 177.08 2ekd s ASN 154 N -0.28 6.11 0.19 4.85 3.84 -1.26 -1.81 114.94 126.57 2ekd s ASN 154 Ca 0.04 0.02 -0.14 0.00 0.21 0.00 0.00 52.86 52.99 2ekd s ASN 154 Cb -0.08 -2.55 0.18 0.00 -0.55 0.00 0.00 41.25 38.25 2ekd s ASN 154 CO 0.00 -1.78 1.68 -0.09 -2.79 0.00 0.00 177.10 174.12 2ekd h ARG 155 N 10.86 0.08 -0.57 0.43 2.43 -1.24 -2.43 114.38 123.94 2ekd h ARG 155 Ca -0.27 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 2ekd h ARG 155 Cb 1.08 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 2ekd h ARG 155 CO 1.22 0.05 0.26 -0.91 -1.51 0.00 0.00 179.97 179.08 2ekd h ASN 156 N 0.09 0.72 -0.47 -3.80 2.35 -1.90 -1.01 115.58 111.56 2ekd h ASN 156 Ca 0.25 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2ekd h ASN 156 Cb 0.38 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 2ekd h ASN 156 CO -0.44 0.63 0.30 0.58 -1.65 0.00 0.00 177.43 176.85 2ekd h VAL 157 N 0.80 1.10 0.03 2.81 2.07 -1.80 -1.34 116.25 119.92 2ekd h VAL 157 Ca 0.20 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2ekd h VAL 157 Cb 0.11 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2ekd h VAL 157 CO -0.02 0.11 -0.01 0.40 0.02 0.00 0.00 177.57 178.06 2ekd h ILE 158 N 0.61 1.40 -0.47 4.57 2.04 -1.34 -2.84 117.51 121.47 2ekd h ILE 158 Ca 0.18 -1.44 -0.05 0.00 1.00 0.00 0.00 64.86 64.55 2ekd h ILE 158 Cb -0.05 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 2ekd h ILE 158 CO -0.05 0.36 0.09 -0.08 0.00 0.00 0.00 178.15 178.47 2ekd h GLU 159 N -0.68 0.71 0.00 2.37 4.81 -1.20 0.24 114.58 120.83 2ekd h GLU 159 Ca -0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2ekd h GLU 159 Cb 0.62 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2ekd h GLU 159 CO 0.01 0.67 -0.14 0.87 -0.73 0.00 0.00 179.01 179.68 2ekd h LYS 160 N 0.69 0.00 0.09 1.92 1.57 -1.36 -2.79 116.57 116.69 2ekd h LYS 160 Ca 0.15 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.58 2ekd h LYS 160 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2ekd h LYS 160 CO 0.00 0.00 -1.97 1.58 -0.57 0.00 0.00 179.45 178.49 2ekd n HIS 161 N -2.44 1.03 -3.14 -1.35 -0.00 -0.94 -4.87 115.22 103.51 2ekd n HIS 161 Ca 0.05 0.25 0.01 0.00 0.46 0.00 0.00 57.72 58.49 2ekd n HIS 161 Cb 0.46 -1.13 -0.01 0.00 -0.12 0.00 0.00 29.99 29.19 2ekd n HIS 161 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2ekd s SER 162 N -6.97 -1.35 0.30 0.26 0.15 0.79 -5.04 113.70 101.83 2ekd s SER 162 Ca -0.25 -0.59 0.05 0.00 0.70 0.00 0.00 55.95 55.86 2ekd s SER 162 Cb 0.07 1.73 0.75 0.00 -1.71 0.00 0.00 66.02 66.86 2ekd s SER 162 CO 0.71 -0.16 1.74 -1.28 1.20 0.00 0.00 173.24 175.45 2ekd h SER 163 N 6.86 0.58 -0.61 5.45 0.87 -1.61 -1.74 113.55 123.34 2ekd h SER 163 Ca 0.03 0.13 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 2ekd h SER 163 Cb 1.19 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.15 2ekd h SER 163 CO 0.08 0.13 0.41 -0.65 -0.53 0.00 0.00 176.83 176.26 2ekd h PRO 164 N 0.58 0.63 -0.51 2.24 0.11 -1.91 -2.39 132.00 130.74 2ekd h PRO 164 Ca 0.57 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.56 2ekd h PRO 164 Cb 1.01 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 2ekd h PRO 164 CO -0.45 0.41 -0.03 0.82 -0.21 0.00 0.00 178.00 178.54 2ekd h ILE 165 N 0.65 1.27 -0.52 4.15 1.08 -1.66 -1.36 117.51 121.11 2ekd h ILE 165 Ca 0.26 -1.14 0.03 0.00 -0.39 0.00 0.00 64.86 63.62 2ekd h ILE 165 Cb 0.21 0.97 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 2ekd h ILE 165 CO -0.08 0.40 0.30 0.25 -0.69 0.00 0.00 178.15 178.34 2ekd h LEU 166 N 0.79 0.48 -0.72 1.44 5.85 -1.45 0.16 115.31 121.86 2ekd h LEU 166 Ca 0.14 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2ekd h LEU 166 Cb 0.56 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2ekd h LEU 166 CO 0.03 0.33 0.42 0.44 -0.34 0.00 0.00 178.44 179.33 2ekd h ASP 167 N 0.60 0.88 -0.40 1.25 3.32 -1.26 0.58 116.42 121.39 2ekd h ASP 167 Ca 0.21 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2ekd h ASP 167 Cb 0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2ekd h ASP 167 CO -0.11 0.70 0.14 -0.07 -1.72 0.00 0.00 179.24 178.19 2ekd h LEU 168 N 0.99 0.57 -0.24 1.55 3.38 -0.65 -1.82 115.31 119.09 2ekd h LEU 168 Ca 0.26 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2ekd h LEU 168 Cb -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2ekd h LEU 168 CO -0.05 0.61 0.10 -0.07 0.09 0.00 0.00 178.44 179.12 2ekd h LEU 169 N 0.50 0.13 -1.67 1.67 3.38 -0.22 -1.89 115.31 117.21 2ekd h LEU 169 Ca 0.13 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2ekd h LEU 169 Cb 0.23 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2ekd h LEU 169 CO -0.01 0.11 -0.17 -0.33 0.09 0.00 0.00 178.44 178.13 2ekd h GLU 170 N 0.22 0.00 -0.29 1.13 5.08 -0.78 -2.85 114.58 117.10 2ekd h GLU 170 Ca 0.10 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 2ekd h GLU 170 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2ekd h GLU 170 CO -0.09 0.17 -0.50 1.49 -1.00 0.00 0.00 179.01 179.08 2ekd h GLU 171 N 0.00 0.85 0.00 2.33 4.81 -0.58 -3.30 114.58 118.69 2ekd h GLU 171 Ca -0.00 -0.53 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 2ekd h GLU 171 Cb 0.31 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2ekd h GLU 171 CO 0.02 1.16 -0.18 -0.39 -0.73 0.00 0.00 179.01 178.89 2ekd h VAL 172 N 0.62 0.34 -4.38 0.32 -1.51 -1.15 -3.46 116.25 107.03 2ekd h VAL 172 Ca 0.02 -1.36 -0.49 0.00 -1.23 0.00 0.00 66.70 63.65 2ekd h VAL 172 Cb 1.11 2.06 0.08 0.00 -2.13 0.00 0.00 31.29 32.41 2ekd h VAL 172 CO 0.11 0.18 0.38 0.68 -1.23 0.00 0.00 177.57 177.69 2ekd s VAL 173 N -3.22 3.22 -0.14 7.19 -7.23 -1.12 -4.91 120.40 114.19 2ekd s VAL 173 Ca 0.05 0.32 0.17 0.00 -1.81 0.00 0.00 61.98 60.71 2ekd s VAL 173 Cb 0.07 -3.38 -0.24 0.00 0.56 0.00 0.00 36.38 33.39 2ekd s VAL 173 CO 0.68 -0.48 0.34 0.35 -0.31 0.00 0.00 175.10 175.67 2ekd n THR 174 N -3.00 1.21 -3.98 5.32 -2.24 -0.48 -4.96 114.28 106.14 2ekd n THR 174 Ca 0.07 -0.78 -0.11 0.00 -2.27 0.00 0.00 64.05 60.96 2ekd n THR 174 Cb 0.58 -0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 68.15 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 -5.50 0.30 -0.07 3.42 0.01 -1.06 -3.87 113.70 106.94 2ekd s SER 175 Ca -0.08 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 56.89 2ekd s SER 175 Cb 0.08 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.37 2ekd s SER 175 CO 0.84 -0.15 -0.08 -0.63 0.41 0.00 0.00 173.24 173.63 2ekd s ILE 176 N -0.82 0.89 0.02 1.44 1.01 -0.50 -0.26 121.20 122.99 2ekd s ILE 176 Ca -0.08 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.35 2ekd s ILE 176 Cb -0.06 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 2ekd s ILE 176 CO -0.00 0.31 -0.23 -0.76 0.00 0.00 0.00 174.94 174.26 2ekd s LEU 177 N 1.04 2.33 -0.13 2.97 1.43 0.79 -1.12 118.68 125.98 2ekd s LEU 177 Ca -0.08 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2ekd s LEU 177 Cb -0.14 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.71 2ekd s LEU 177 CO -0.00 0.28 -0.11 -0.70 0.23 0.00 0.00 176.35 176.05 2ekd s GLU 178 N -1.12 1.91 -0.21 1.70 2.12 0.20 -0.00 118.70 123.29 2ekd s GLU 178 Ca 0.12 -0.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.74 2ekd s GLU 178 Cb -0.10 -1.87 -0.00 0.00 0.26 0.00 0.00 34.13 32.41 2ekd s GLU 178 CO 0.02 -0.26 1.18 0.42 -0.54 0.00 0.00 175.26 176.08 2ekd s ILE 179 N 1.59 4.41 0.42 -3.70 1.01 -0.17 -0.96 121.20 123.80 2ekd s ILE 179 Ca 0.05 1.68 0.04 0.00 0.00 0.00 0.00 60.65 62.42 2ekd s ILE 179 Cb -0.13 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 2ekd s ILE 179 CO -0.09 -0.22 0.05 0.42 0.00 0.00 0.00 174.94 175.10 2ekd s THR 180 N 3.52 1.23 0.39 2.92 -4.23 0.05 -4.74 115.64 114.78 2ekd s THR 180 Ca 0.51 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.12 2ekd s THR 180 Cb -0.18 -2.54 0.15 0.00 1.34 0.00 0.00 72.50 71.27 2ekd s THR 180 CO 0.13 0.00 1.91 0.44 -0.54 0.00 0.00 174.62 176.56 2ekd h ASP 181 N 1.72 0.17 0.43 3.99 3.32 -1.98 -2.75 116.42 121.32 2ekd h ASP 181 Ca -0.41 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2ekd h ASP 181 Cb 1.27 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2ekd h ASP 181 CO 0.71 0.36 -0.23 -1.54 -1.72 0.00 0.00 179.24 176.82 2ekd n SER 182 N -4.25 0.58 0.00 6.45 3.41 -1.26 -5.04 113.62 113.51 2ekd n SER 182 Ca -0.01 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 2ekd n SER 182 Cb 0.29 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 1.37 0.80 3.51 5.00 0.00 -1.04 -4.90 105.19 109.93 2ekd n GLY 183 Ca 0.11 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.65 4.81 -0.03 -0.61 1.01 0.32 -0.77 121.20 123.27 2ekd s ILE 184 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.36 2ekd s ILE 184 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2ekd s ILE 184 CO 0.00 0.26 0.69 -0.63 0.00 0.00 0.00 174.94 175.26 2ekd s ILE 185 N 1.68 4.95 -0.80 2.92 1.01 -0.13 -1.34 121.20 129.49 2ekd s ILE 185 Ca 0.06 1.44 -0.17 0.00 0.00 0.00 0.00 60.65 61.99 2ekd s ILE 185 Cb -0.16 -4.03 0.16 0.00 0.01 0.00 0.00 42.46 38.44 2ekd s ILE 185 CO 0.07 0.31 0.85 -0.63 0.00 0.00 0.00 174.94 175.55 2ekd s ILE 186 N 0.40 5.15 0.25 2.92 1.01 -0.04 -0.63 121.20 130.26 2ekd s ILE 186 Ca 0.36 -1.84 0.03 0.00 0.00 0.00 0.00 60.65 59.20 2ekd s ILE 186 Cb -0.18 -4.56 -0.01 0.00 0.01 0.00 0.00 42.46 37.71 2ekd s ILE 186 CO 0.19 -1.19 1.60 0.11 0.00 0.00 0.00 174.94 175.65 2ekd h LYS 187 N 8.46 0.35 -3.22 2.79 1.57 -1.43 0.24 116.57 125.32 2ekd h LYS 187 Ca 0.02 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.45 2ekd h LYS 187 Cb 1.05 0.01 -0.23 0.00 0.08 0.00 0.00 32.23 33.14 2ekd h LYS 187 CO 0.95 0.77 -0.41 0.21 -0.57 0.00 0.00 179.45 180.40 2ekd s LYS 188 N -4.02 0.44 0.02 3.15 2.20 -1.14 -4.62 119.74 115.77 2ekd s LYS 188 Ca -0.05 0.00 -0.28 0.00 -0.36 0.00 0.00 55.97 55.28 2ekd s LYS 188 Cb 0.12 0.20 0.08 0.00 -1.51 0.00 0.00 37.83 36.72 2ekd s LYS 188 CO 0.80 -0.09 0.69 0.45 -0.36 0.00 0.00 175.35 176.84 2ekd s SER 189 N -0.65 -0.58 0.28 1.43 0.15 -1.25 -1.41 113.70 111.66 2ekd s SER 189 Ca -0.07 0.37 0.07 0.00 0.70 0.00 0.00 55.95 57.02 2ekd s SER 189 Cb -0.04 0.53 0.39 0.00 -1.71 0.00 0.00 66.02 65.19 2ekd s SER 189 CO 0.02 -0.72 1.65 0.40 1.20 0.00 0.00 173.24 175.78 2ekd h ILE 190 N 2.52 1.36 -3.22 6.45 1.08 -1.91 -3.40 117.51 120.38 2ekd h ILE 190 Ca -0.29 -1.76 -0.63 0.00 -0.39 0.00 0.00 64.86 61.79 2ekd h ILE 190 Cb 1.21 1.87 -0.13 0.00 -3.07 0.00 0.00 36.82 36.70 2ekd h ILE 190 CO 0.37 0.52 0.45 -0.54 -0.69 0.00 0.00 178.15 178.26 2ekd s LYS 191 N -3.92 3.29 0.00 2.37 1.02 -1.26 -4.89 119.74 116.34 2ekd s LYS 191 Ca -0.04 -0.40 0.03 0.00 0.02 0.00 0.00 55.97 55.58 2ekd s LYS 191 Cb 0.13 -4.06 0.13 0.00 -0.52 0.00 0.00 37.83 33.50 2ekd s LYS 191 CO 0.78 -1.42 0.99 -0.25 -0.92 0.00 0.00 175.35 174.52 2ekd n ASP 192 N 7.17 0.00 0.19 2.83 8.00 -1.26 -1.81 116.55 131.66 2ekd n ASP 192 Ca -0.00 0.36 0.13 0.00 0.71 0.00 0.00 54.79 55.99 2ekd n ASP 192 Cb 0.47 -0.38 0.32 0.00 -0.02 0.00 0.00 41.12 41.51 2ekd n ASP 192 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2ekd h GLU 193 N 0.00 0.00 -0.00 -1.24 4.81 -1.95 -3.32 114.58 112.88 2ekd h GLU 193 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ekd h GLU 193 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2ekd h GLU 193 CO 0.00 0.00 -0.01 0.44 -0.73 0.00 0.00 179.01 178.71 2ekd n ILE 194 N -2.83 0.00 -1.86 2.32 -5.35 -0.75 -4.97 119.36 105.93 2ekd n ILE 194 Ca 0.04 -0.50 -0.42 0.00 -0.27 0.00 0.00 62.75 61.60 2ekd n ILE 194 Cb 0.46 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.34 2ekd n ILE 194 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ekd s ALA 195 N -0.31 3.71 0.00 -1.28 0.00 -1.22 -1.54 121.76 121.13 2ekd s ALA 195 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2ekd s ALA 195 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2ekd s ALA 195 CO 0.01 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.04 2ekd n GLY 196 N 4.07 1.31 3.88 0.00 0.00 0.83 -5.04 105.19 110.23 2ekd n GLY 196 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.49 3.75 -0.11 1.61 -0.14 -0.59 -4.77 119.74 119.01 2ekd s LYS 197 Ca 0.00 0.50 0.03 0.00 -1.36 0.00 0.00 55.97 55.14 2ekd s LYS 197 Cb 0.00 -2.34 -0.00 0.00 -1.68 0.00 0.00 37.83 33.81 2ekd s LYS 197 CO 0.00 -0.12 -0.22 0.42 -0.76 0.00 0.00 175.35 174.67 2ekd s ILE 198 N -2.50 2.23 0.22 2.17 1.01 -1.26 -0.86 121.20 122.20 2ekd s ILE 198 Ca 0.52 -0.96 0.11 0.00 0.00 0.00 0.00 60.65 60.31 2ekd s ILE 198 Cb -0.10 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 2ekd s ILE 198 CO 0.34 0.55 -0.21 0.68 0.00 0.00 0.00 174.94 176.31 2ekd s VAL 199 N 0.34 2.22 -0.51 2.92 -7.23 -0.45 -4.90 120.40 112.80 2ekd s VAL 199 Ca -0.18 -2.15 0.06 0.00 -1.81 0.00 0.00 61.98 57.91 2ekd s VAL 199 Cb -0.18 -2.11 0.22 0.00 0.56 0.00 0.00 36.38 34.87 2ekd s VAL 199 CO 0.08 -0.30 0.54 -1.20 -0.31 0.00 0.00 175.10 173.92 2ekd n SER 200 N -0.08 1.43 0.19 4.85 7.64 -1.26 -0.52 113.62 125.85 2ekd n SER 200 Ca -0.10 -2.91 0.14 0.00 1.01 0.00 0.00 58.87 57.01 2ekd n SER 200 Cb 0.58 -0.65 0.64 0.00 -1.01 0.00 0.00 64.21 63.77 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 4.59 0.00 0.00 1.43 0.13 -1.98 -2.91 132.00 133.26 2ekd h PRO 201 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2ekd h PRO 201 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2ekd h PRO 201 CO 0.58 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.63 2ekd n LEU 202 N -2.46 0.48 0.00 1.56 4.77 -1.26 -4.74 117.00 115.36 2ekd n LEU 202 Ca 0.00 0.55 0.15 0.00 -0.03 0.00 0.00 56.01 56.68 2ekd n LEU 202 Cb 0.15 -0.40 0.91 0.00 -2.33 0.00 0.00 43.42 41.75 2ekd n LEU 202 CO 0.17 -0.13 1.07 0.18 -1.33 0.00 0.00 177.39 177.35