#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s VAL 5 N 0.00 2.89 -0.18 5.09 0.11 -1.26 -4.89 120.40 122.16 1s1i s VAL 5 Ca 0.00 -1.25 0.00 0.00 -2.93 0.00 0.00 61.98 57.80 1s1i s VAL 5 Cb 0.00 -2.26 0.01 0.00 -1.53 0.00 0.00 36.38 32.61 1s1i s VAL 5 CO 0.00 0.26 -0.18 0.42 -3.33 0.00 0.00 175.10 172.28 1s1i s THR 6 N -1.01 2.29 0.42 5.04 -4.23 -1.25 -2.20 115.64 114.70 1s1i s THR 6 Ca 0.16 -0.87 -0.23 0.00 -1.18 0.00 0.00 61.69 59.58 1s1i s THR 6 Cb -0.11 -1.97 -0.09 0.00 1.34 0.00 0.00 72.50 71.67 1s1i s THR 6 CO 0.07 0.52 1.02 0.54 -0.54 0.00 0.00 174.62 176.23 1s1i s VAL 7 N 1.24 3.91 0.02 2.29 0.11 -1.23 -4.59 120.40 122.17 1s1i s VAL 7 Ca 0.03 1.34 0.06 0.00 -2.93 0.00 0.00 61.98 60.49 1s1i s VAL 7 Cb -0.14 -3.63 -0.02 0.00 -1.53 0.00 0.00 36.38 31.06 1s1i s VAL 7 CO -0.10 -0.11 -0.18 -1.00 -3.33 0.00 0.00 175.10 170.39 1s1i s HIS 8 N -1.84 1.58 0.74 1.54 3.76 -1.26 -2.20 115.29 117.62 1s1i s HIS 8 Ca 0.60 -0.34 -0.07 0.00 -0.15 0.00 0.00 55.06 55.11 1s1i s HIS 8 Cb -0.18 -0.97 0.09 0.00 1.11 0.00 0.00 32.58 32.64 1s1i s HIS 8 CO 0.22 0.03 1.05 -1.54 -0.85 0.00 0.00 174.74 173.66 1s1i s SER 9 N -0.85 4.47 -1.45 1.40 1.04 -1.26 -2.80 113.70 114.25 1s1i s SER 9 Ca 0.06 0.26 -0.11 0.00 0.48 0.00 0.00 55.95 56.63 1s1i s SER 9 Cb -0.08 -0.77 0.05 0.00 0.10 0.00 0.00 66.02 65.32 1s1i s SER 9 CO 0.01 -1.81 2.33 0.18 0.98 0.00 0.00 173.24 174.92 1s1i n LEU 10 N -3.02 7.36 0.00 2.42 7.99 -1.26 -1.78 117.00 128.71 1s1i n LEU 10 Ca 0.10 -4.37 0.00 0.00 -0.01 0.00 0.00 56.01 51.73 1s1i n LEU 10 Cb 0.60 -1.57 0.00 0.00 -0.11 0.00 0.00 43.42 42.34 1s1i n LEU 10 CO 0.49 1.47 0.00 1.07 -1.51 0.00 0.00 177.39 178.91 1s1i n THR 11 N 4.06 0.00 -0.10 -5.08 5.66 -1.26 -5.01 114.28 112.54 1s1i n THR 11 Ca 0.56 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.56 1s1i n THR 11 Cb 0.34 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 1s1i n THR 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1s1i n GLY 12 N 0.20 0.77 3.83 1.09 0.00 -0.74 -4.87 105.19 105.47 1s1i n GLY 12 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1s1i n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s1i s GLU 13 N -0.72 3.09 0.23 1.61 -1.05 -1.26 -4.71 118.70 115.89 1s1i s GLU 13 Ca 0.00 0.93 -0.32 0.00 -0.15 0.00 0.00 54.97 55.44 1s1i s GLU 13 Cb 0.00 -2.01 -0.12 0.00 -0.44 0.00 0.00 34.13 31.56 1s1i s GLU 13 CO 0.00 -0.98 1.68 0.00 0.95 0.00 0.00 175.26 176.91 1s1i n ALA 14 N -2.98 2.68 -2.98 -0.84 0.00 -1.26 -4.16 120.51 110.97 1s1i n ALA 14 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1s1i n ALA 14 Cb 0.54 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1s1i n ALA 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s1i n THR 15 N 3.43 0.00 -0.23 0.00 -2.24 -1.25 -4.94 114.28 109.05 1s1i n THR 15 Ca 0.14 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.94 1s1i n THR 15 Cb 0.35 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.83 1s1i n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s1i h ALA 16 N 1.00 1.50 -6.18 6.98 0.00 -1.91 -3.47 119.26 117.18 1s1i h ALA 16 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 54.91 54.44 1s1i h ALA 16 Cb 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 17.79 17.59 1s1i h ALA 16 CO 0.00 0.44 -0.93 0.27 0.00 0.00 0.00 179.25 179.03 1s1i n ASN 17 N -4.44 -5.14 -4.49 0.00 0.23 -0.93 -4.83 115.26 95.66 1s1i n ASN 17 Ca 0.09 -1.00 -0.29 0.00 -0.53 0.00 0.00 54.58 52.86 1s1i n ASN 17 Cb 0.08 -3.49 -0.11 0.00 -2.08 0.00 0.00 39.78 34.17 1s1i n ASN 17 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1s1i s ALA 18 N -3.48 2.70 0.00 -2.53 0.00 -1.24 -4.61 121.76 112.60 1s1i s ALA 18 Ca 0.45 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1s1i s ALA 18 Cb -0.15 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1s1i s ALA 18 CO 0.85 0.57 0.00 1.47 0.00 0.00 0.00 175.76 178.65 1s1i n LEU 19 N 0.68 0.00 -4.95 0.00 -0.00 -0.93 -3.46 117.00 108.34 1s1i n LEU 19 Ca -0.15 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.60 1s1i n LEU 19 Cb 0.53 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 44.05 1s1i n LEU 19 CO 0.29 -0.23 0.65 -2.84 -0.00 0.00 0.00 177.39 175.26 1s1i s PRO 20 N 0.55 1.73 0.70 1.47 0.02 -1.26 -4.91 135.00 133.30 1s1i s PRO 20 Ca 0.00 -0.52 -0.04 0.00 0.02 0.00 0.00 61.00 60.46 1s1i s PRO 20 Cb 0.00 -2.15 0.09 0.00 0.02 0.00 0.00 34.50 32.46 1s1i s PRO 20 CO 0.00 -1.54 0.99 -1.17 -0.33 0.00 0.00 177.00 174.95 1s1i s LEU 21 N -5.35 2.95 0.00 -5.54 2.96 -1.26 -4.61 118.68 107.82 1s1i s LEU 21 Ca 0.65 0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 54.62 1s1i s LEU 21 Cb -0.08 -2.66 0.10 0.00 0.50 0.00 0.00 46.19 44.05 1s1i s LEU 21 CO 0.46 -1.70 0.65 -2.65 -1.32 0.00 0.00 176.35 171.79 1s1i n PRO 22 N -2.87 -0.28 -0.00 0.98 -0.02 -1.26 -4.97 135.00 126.58 1s1i n PRO 22 Ca 0.11 -1.30 0.08 0.00 -2.02 0.00 0.00 63.50 60.37 1s1i n PRO 22 Cb 0.60 -0.57 -0.10 0.00 -0.02 0.00 0.00 33.50 33.41 1s1i n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s1i n ALA 23 N -3.23 4.07 -3.73 3.55 0.00 -1.26 -4.51 120.51 115.40 1s1i n ALA 23 Ca -0.11 -0.47 -0.35 0.00 0.00 0.00 0.00 53.44 52.52 1s1i n ALA 23 Cb 0.32 -0.61 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 1s1i n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s1i s VAL 24 N -2.66 3.74 0.00 0.00 0.11 -1.26 -2.94 120.40 117.39 1s1i s VAL 24 Ca 0.05 -3.53 0.00 0.00 -2.93 0.00 0.00 61.98 55.58 1s1i s VAL 24 Cb 0.13 -3.40 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 1s1i s VAL 24 CO 0.70 -0.97 0.00 0.49 -3.33 0.00 0.00 175.10 171.99 1s1i n PHE 25 N 2.80 0.00 1.50 1.54 3.72 -1.26 -4.51 117.46 121.25 1s1i n PHE 25 Ca 0.14 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.69 1s1i n PHE 25 Cb 0.37 0.00 0.68 0.00 -0.94 0.00 0.00 39.48 39.58 1s1i n PHE 25 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1s1i n SER 26 N -0.13 0.40 -4.36 4.37 3.41 -1.15 -4.68 113.62 111.49 1s1i n SER 26 Ca 0.00 -0.63 -0.37 0.00 -0.26 0.00 0.00 58.87 57.61 1s1i n SER 26 Cb 0.00 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 1s1i n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s1i n ALA 27 N -0.94 -2.39 -0.22 7.33 0.00 -1.26 -4.87 120.51 118.15 1s1i n ALA 27 Ca 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1s1i n ALA 27 Cb 0.25 -1.66 0.08 0.00 0.00 0.00 0.00 19.45 18.12 1s1i n ALA 27 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1s1i h PRO 28 N -0.39 0.71 -1.40 0.00 0.13 -1.92 -3.45 132.00 125.68 1s1i h PRO 28 Ca -0.44 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1s1i h PRO 28 Cb 1.36 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s1i h PRO 28 CO 0.40 0.47 0.00 -0.89 -0.23 0.00 0.00 178.00 177.74 1s1i n ILE 29 N -4.75 -1.40 -3.72 -3.56 5.41 -1.26 -5.02 119.36 105.06 1s1i n ILE 29 Ca 0.07 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.57 1s1i n ILE 29 Cb 0.12 -2.03 -0.17 0.00 -0.71 0.00 0.00 39.64 36.85 1s1i n ILE 29 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1s1i s ARG 30 N -1.57 0.49 0.39 0.38 1.81 -1.26 -4.96 118.95 114.23 1s1i s ARG 30 Ca 0.00 -0.11 0.21 0.00 -1.72 0.00 0.00 55.73 54.11 1s1i s ARG 30 Cb 0.00 -1.52 0.64 0.00 -0.45 0.00 0.00 34.95 33.62 1s1i s ARG 30 CO 0.00 -0.49 1.71 -1.00 -0.68 0.00 0.00 175.30 174.83 1s1i h PRO 31 N 8.32 0.00 0.25 3.54 0.13 -1.97 -1.67 132.00 140.60 1s1i h PRO 31 Ca -0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 1s1i h PRO 31 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1s1i h PRO 31 CO 0.29 0.31 -0.12 -0.44 -0.23 0.00 0.00 178.00 177.80 1s1i h ASP 32 N 0.00 -0.29 -0.65 1.44 3.32 -1.97 0.49 116.42 118.76 1s1i h ASP 32 Ca -0.00 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 1s1i h ASP 32 Cb 0.94 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1s1i h ASP 32 CO 0.04 0.02 0.08 0.40 -1.72 0.00 0.00 179.24 178.06 1s1i h ILE 33 N -0.61 1.26 -0.82 0.35 5.03 -1.97 -1.39 117.51 119.35 1s1i h ILE 33 Ca -0.03 -1.07 -0.00 0.00 -0.12 0.00 0.00 64.86 63.63 1s1i h ILE 33 Cb 0.44 0.68 -0.04 0.00 -3.03 0.00 0.00 36.82 34.87 1s1i h ILE 33 CO 0.06 0.40 0.51 -0.37 -0.68 0.00 0.00 178.15 178.06 1s1i h VAL 34 N 1.01 1.23 -0.63 1.67 -1.51 -1.16 -2.19 116.25 114.67 1s1i h VAL 34 Ca 0.19 -0.48 -0.04 0.00 -1.23 0.00 0.00 66.70 65.14 1s1i h VAL 34 Cb 0.47 0.06 -0.03 0.00 -2.13 0.00 0.00 31.29 29.67 1s1i h VAL 34 CO 0.02 0.23 0.22 1.12 -1.23 0.00 0.00 177.57 177.94 1s1i h HIS 35 N 1.13 0.95 -0.21 5.19 2.07 0.11 -1.37 115.15 123.01 1s1i h HIS 35 Ca 0.30 -0.07 -0.01 0.00 -2.85 0.00 0.00 60.37 57.74 1s1i h HIS 35 Cb -0.06 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 29.62 1s1i h HIS 35 CO -0.01 0.74 0.08 1.15 -3.07 0.00 0.00 177.93 176.82 1s1i h THR 36 N 0.91 1.18 -3.24 6.12 2.02 -0.82 -3.00 112.91 116.09 1s1i h THR 36 Ca 0.21 -0.55 -0.76 0.00 0.77 0.00 0.00 66.41 66.08 1s1i h THR 36 Cb 0.22 1.15 -0.24 0.00 -1.74 0.00 0.00 68.15 67.53 1s1i h THR 36 CO -0.01 0.18 -0.10 0.68 0.37 0.00 0.00 175.52 176.64 1s1i s VAL 37 N -5.47 5.26 0.00 3.16 -7.23 -0.51 -1.17 120.40 114.44 1s1i s VAL 37 Ca -0.14 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1s1i s VAL 37 Cb 0.07 -4.39 0.00 0.00 0.56 0.00 0.00 36.38 32.62 1s1i s VAL 37 CO 0.71 -0.94 0.00 2.22 -0.31 0.00 0.00 175.10 176.78 1s1i n PHE 38 N 5.07 0.00 -0.08 2.82 -1.74 -1.26 -4.68 117.46 117.59 1s1i n PHE 38 Ca -0.06 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.69 1s1i n PHE 38 Cb 0.42 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.40 1s1i n PHE 38 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s1i h THR 39 N 0.00 1.28 -0.64 1.97 1.03 -1.42 0.11 112.91 115.24 1s1i h THR 39 Ca 0.00 -1.67 -0.08 0.00 -0.01 0.00 0.00 66.41 64.64 1s1i h THR 39 Cb 0.00 1.55 -0.02 0.00 -1.07 0.00 0.00 68.15 68.61 1s1i h THR 39 CO 0.00 0.55 0.08 -1.28 -0.01 0.00 0.00 175.52 174.86 1s1i h SER 40 N 0.68 1.04 -0.91 0.00 0.87 -1.35 -2.09 113.55 111.78 1s1i h SER 40 Ca 0.03 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1s1i h SER 40 Cb 1.08 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.72 1s1i h SER 40 CO 0.11 1.05 0.60 0.58 -0.53 0.00 0.00 176.83 178.64 1s1i h VAL 41 N 0.99 1.22 -0.93 2.23 2.07 -1.68 0.24 116.25 120.39 1s1i h VAL 41 Ca 0.19 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1s1i h VAL 41 Cb 0.47 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 1s1i h VAL 41 CO 0.02 0.22 0.59 -1.13 0.02 0.00 0.00 177.57 177.29 1s1i h ASN 42 N 1.22 1.08 -0.74 0.57 -1.24 -0.11 -1.18 115.58 115.19 1s1i h ASN 42 Ca 0.34 -0.04 0.02 0.00 0.71 0.00 0.00 56.30 57.33 1s1i h ASN 42 Cb -0.12 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.62 1s1i h ASN 42 CO -0.08 0.80 0.48 0.50 -1.29 0.00 0.00 177.43 177.84 1s1i h LYS 43 N 1.26 0.92 -5.64 6.67 1.63 -0.09 -2.79 116.57 118.53 1s1i h LYS 43 Ca 0.34 -0.06 -0.69 0.00 -0.85 0.00 0.00 60.65 59.39 1s1i h LYS 43 Cb -0.11 -0.21 -0.09 0.00 -0.60 0.00 0.00 32.23 31.23 1s1i h LYS 43 CO -0.07 0.61 2.20 -1.71 -3.45 0.00 0.00 179.45 177.04 1s1i n ASN 44 N -4.61 4.89 0.00 4.20 5.15 -0.44 -2.00 115.26 122.45 1s1i n ASN 44 Ca 0.08 -2.92 0.00 0.00 -0.60 0.00 0.00 54.58 51.14 1s1i n ASN 44 Cb 0.06 -1.73 0.00 0.00 -0.53 0.00 0.00 39.78 37.58 1s1i n ASN 44 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1s1i n LYS 45 N 8.01 0.00 -2.09 1.20 3.00 -1.05 -4.92 118.16 122.31 1s1i n LYS 45 Ca 0.48 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.41 1s1i n LYS 45 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.48 1s1i n LYS 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1s1i s ARG 46 N -0.34 3.79 0.82 1.64 1.81 -0.85 -4.99 118.95 120.83 1s1i s ARG 46 Ca 0.00 2.03 -0.11 0.00 -1.72 0.00 0.00 55.73 55.93 1s1i s ARG 46 Cb 0.00 -2.58 0.11 0.00 -0.45 0.00 0.00 34.95 32.03 1s1i s ARG 46 CO 0.00 -0.60 1.17 1.14 -0.68 0.00 0.00 175.30 176.33 1s1i s GLN 47 N -2.47 1.65 -0.04 3.54 1.03 -1.26 -4.97 119.66 117.13 1s1i s GLN 47 Ca 0.61 -0.17 0.03 0.00 0.04 0.00 0.00 55.36 55.87 1s1i s GLN 47 Cb -0.35 -1.99 -0.03 0.00 0.03 0.00 0.00 33.01 30.67 1s1i s GLN 47 CO 0.44 -1.73 -0.11 0.00 -2.54 0.00 0.00 175.29 171.35 1s1i s ALA 48 N -3.57 2.82 0.28 2.60 0.00 -1.26 -5.03 121.76 117.61 1s1i s ALA 48 Ca 0.65 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 1s1i s ALA 48 Cb -0.09 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 1s1i s ALA 48 CO 0.49 0.57 0.45 1.52 0.00 0.00 0.00 175.76 178.80 1s1i s TYR 49 N -0.82 0.64 0.32 0.00 1.13 -1.26 -5.04 117.35 112.32 1s1i s TYR 49 Ca 0.13 -0.96 -0.18 0.00 -1.41 0.00 0.00 57.07 54.64 1s1i s TYR 49 Cb -0.11 0.06 0.06 0.00 -1.10 0.00 0.00 41.96 40.87 1s1i s TYR 49 CO 0.03 -1.02 0.84 0.00 -2.51 0.00 0.00 175.55 172.89 1s1i s ALA 50 N -3.68 -1.03 0.18 9.51 0.00 -1.26 -3.18 121.76 122.30 1s1i s ALA 50 Ca 0.26 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.71 1s1i s ALA 50 Cb 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1s1i s ALA 50 CO 0.13 -1.01 0.21 0.08 0.00 0.00 0.00 175.76 175.16 1s1i s VAL 51 N -2.53 4.79 0.43 0.00 1.01 -1.09 -4.91 120.40 118.09 1s1i s VAL 51 Ca 0.16 -1.02 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1s1i s VAL 51 Cb -0.04 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 1s1i s VAL 51 CO 0.09 -0.17 1.38 -1.20 0.00 0.00 0.00 175.10 175.20 1s1i n SER 52 N -0.66 3.09 -0.28 3.32 7.64 -1.26 -4.85 113.62 120.61 1s1i n SER 52 Ca -0.08 1.13 -0.05 0.00 1.01 0.00 0.00 58.87 60.88 1s1i n SER 52 Cb 0.55 -1.56 0.06 0.00 -1.01 0.00 0.00 64.21 62.25 1s1i n SER 52 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1s1i h GLU 53 N 2.32 1.13 -3.11 1.43 -0.00 -1.96 -3.28 114.58 111.10 1s1i h GLU 53 Ca -0.50 -0.17 -0.62 0.00 -0.00 0.00 0.00 59.36 58.07 1s1i h GLU 53 Cb 1.28 -0.20 -0.41 0.00 -0.00 0.00 0.00 28.75 29.41 1s1i h GLU 53 CO 0.61 0.88 -0.63 0.21 -0.00 0.00 0.00 179.01 180.08 1s1i s LYS 54 N -5.69 2.15 -0.06 1.06 2.20 -1.26 -5.02 119.74 113.12 1s1i s LYS 54 Ca -0.13 -2.98 0.03 0.00 -0.36 0.00 0.00 55.97 52.53 1s1i s LYS 54 Cb 0.15 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.29 1s1i s LYS 54 CO 0.82 -1.24 -0.13 0.00 -0.36 0.00 0.00 175.35 174.44 1s1i s ALA 55 N -0.92 1.33 -0.73 3.13 0.00 -1.24 -4.63 121.76 118.70 1s1i s ALA 55 Ca 0.23 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 1s1i s ALA 55 Cb -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1s1i s ALA 55 CO -0.11 0.14 0.63 0.41 0.00 0.00 0.00 175.76 176.83 1s1i n GLY 56 N 3.70 0.06 0.00 0.00 0.00 -1.26 -4.29 105.19 103.40 1s1i n GLY 56 Ca -0.22 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1s1i n GLY 56 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s1i n HIS 57 N -3.47 0.00 -1.64 1.61 -0.00 -1.26 -3.79 115.22 106.66 1s1i n HIS 57 Ca -0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.23 1s1i n HIS 57 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.52 1s1i n HIS 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1s1i n GLN 58 N -0.43 2.54 0.00 -0.41 10.64 -1.26 -4.86 117.38 123.60 1s1i n GLN 58 Ca 0.00 0.87 0.00 0.00 -1.83 0.00 0.00 57.00 56.04 1s1i n GLN 58 Cb 0.00 -3.08 0.00 0.00 -0.86 0.00 0.00 30.24 26.30 1s1i n GLN 58 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1s1i n THR 59 N 6.32 0.00 -1.07 -0.39 -2.24 -1.26 -4.81 114.28 110.82 1s1i n THR 59 Ca 0.24 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.99 1s1i n THR 59 Cb 0.42 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 1s1i n THR 59 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1s1i n SER 60 N 0.00 -3.67 -4.45 3.42 2.88 -1.26 -5.00 113.62 105.54 1s1i n SER 60 Ca 0.00 0.06 -0.34 0.00 -1.33 0.00 0.00 58.87 57.26 1s1i n SER 60 Cb 0.00 -1.38 -0.13 0.00 -0.75 0.00 0.00 64.21 61.95 1s1i n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s1i s ALA 61 N -1.97 2.91 0.25 -1.46 0.00 -1.23 -4.43 121.76 115.85 1s1i s ALA 61 Ca 0.00 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.13 1s1i s ALA 61 Cb 0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 1s1i s ALA 61 CO 0.00 0.10 -0.09 -1.21 0.00 0.00 0.00 175.76 174.56 1s1i s GLU 62 N 0.57 1.47 -0.11 0.00 0.41 -1.24 -4.63 118.70 115.17 1s1i s GLU 62 Ca -0.04 -1.71 -0.02 0.00 -0.41 0.00 0.00 54.97 52.79 1s1i s GLU 62 Cb -0.15 -1.13 -0.03 0.00 -1.78 0.00 0.00 34.13 31.04 1s1i s GLU 62 CO 0.03 0.09 -0.03 0.45 -0.49 0.00 0.00 175.26 175.30 1s1i s SER 63 N -3.40 4.91 0.56 -0.19 0.15 -1.26 0.74 113.70 115.20 1s1i s SER 63 Ca 0.27 -0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.73 1s1i s SER 63 Cb 0.02 -1.54 -0.05 0.00 -1.71 0.00 0.00 66.02 62.73 1s1i s SER 63 CO 0.10 0.28 1.05 -1.66 1.20 0.00 0.00 173.24 174.20 1s1i s TRP 64 N -0.29 3.03 0.00 3.44 1.48 -1.26 -4.86 118.94 120.49 1s1i s TRP 64 Ca 0.05 1.52 0.00 0.00 -1.06 0.00 0.00 56.10 56.62 1s1i s TRP 64 Cb -0.12 -3.00 0.00 0.00 -1.16 0.00 0.00 33.47 29.18 1s1i s TRP 64 CO 0.02 -0.97 0.00 0.41 -4.06 0.00 0.00 176.95 172.35 1s1i n GLY 65 N -0.84 -0.72 3.69 3.67 0.00 -1.26 -4.76 105.19 104.98 1s1i n GLY 65 Ca 0.09 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 1s1i n GLY 65 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s1i s THR 66 N 0.00 1.94 0.00 2.61 -1.32 -1.26 -4.68 115.64 112.93 1s1i s THR 66 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1s1i s THR 66 Cb 0.00 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 1s1i s THR 66 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1s1i n GLY 67 N -1.39 0.91 3.78 6.08 0.00 -1.26 -5.05 105.19 108.26 1s1i n GLY 67 Ca 0.07 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1s1i n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s1i s ARG 68 N 0.00 4.11 -0.16 1.61 1.81 -1.26 -4.77 118.95 120.28 1s1i s ARG 68 Ca 0.00 2.53 -0.29 0.00 -1.72 0.00 0.00 55.73 56.25 1s1i s ARG 68 Cb 0.00 -2.96 -0.05 0.00 -0.45 0.00 0.00 34.95 31.49 1s1i s ARG 68 CO 0.00 -0.52 2.05 0.00 -0.68 0.00 0.00 175.30 176.15 1s1i s ALA 69 N -1.13 3.02 0.21 2.13 0.00 -1.26 -4.84 121.76 119.89 1s1i s ALA 69 Ca 0.53 0.83 -0.22 0.00 0.00 0.00 0.00 51.96 53.11 1s1i s ALA 69 Cb -0.46 -3.99 0.05 0.00 0.00 0.00 0.00 23.12 18.73 1s1i s ALA 69 CO 0.62 -2.37 0.63 0.14 0.00 0.00 0.00 175.76 174.78 1s1i s VAL 70 N 6.84 0.00 -0.04 0.00 -7.23 -1.26 -5.15 120.40 113.57 1s1i s VAL 70 Ca 0.92 -0.45 -0.04 0.00 -1.81 0.00 0.00 61.98 60.61 1s1i s VAL 70 Cb -0.33 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1s1i s VAL 70 CO 0.36 -0.02 0.16 0.00 -0.31 0.00 0.00 175.10 175.29 1s1i s ALA 71 N -3.82 3.90 0.56 1.32 0.00 -1.26 -4.95 121.76 117.51 1s1i s ALA 71 Ca 0.05 -0.74 -0.21 0.00 0.00 0.00 0.00 51.96 51.06 1s1i s ALA 71 Cb -0.03 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1s1i s ALA 71 CO -0.05 0.71 1.31 1.03 0.00 0.00 0.00 175.76 178.77 1s1i s ARG 72 N -1.69 3.09 0.00 0.00 0.52 -1.26 -4.90 118.95 114.70 1s1i s ARG 72 Ca 0.24 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.57 1s1i s ARG 72 Cb -0.12 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.17 1s1i s ARG 72 CO 0.15 -1.20 0.00 -0.89 0.02 0.00 0.00 175.30 173.38 1s1i n ILE 73 N -1.17 0.00 -2.18 1.52 2.08 -1.26 -4.94 119.36 113.40 1s1i n ILE 73 Ca 0.11 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 63.00 1s1i n ILE 73 Cb 0.46 -0.30 -0.03 0.00 -0.75 0.00 0.00 39.64 39.02 1s1i n ILE 73 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1s1i s PRO 74 N 0.00 4.29 -0.43 0.38 0.04 -1.26 -4.93 135.00 133.09 1s1i s PRO 74 Ca 0.00 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.09 1s1i s PRO 74 Cb 0.00 -3.48 0.15 0.00 0.04 0.00 0.00 34.50 31.22 1s1i s PRO 74 CO 0.00 -0.54 0.29 0.50 0.04 0.00 0.00 177.00 177.29 1s1i s ARG 75 N 2.02 1.05 0.00 4.56 3.00 0.23 -4.35 118.95 125.46 1s1i s ARG 75 Ca 0.65 -1.98 -0.03 0.00 -1.00 0.00 0.00 55.73 53.37 1s1i s ARG 75 Cb -0.34 -1.81 -0.01 0.00 0.00 0.00 0.00 34.95 32.80 1s1i s ARG 75 CO 0.28 -1.27 0.05 0.08 0.00 0.00 0.00 175.30 174.44 1s1i s VAL 76 N 0.27 0.07 0.00 7.11 1.01 0.13 -4.58 120.40 124.41 1s1i s VAL 76 Ca 0.24 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1s1i s VAL 76 Cb -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1s1i s VAL 76 CO -0.09 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.32 1s1i n GLY 77 N 2.02 1.61 2.32 4.51 0.00 -1.26 -3.52 105.19 110.86 1s1i n GLY 77 Ca -0.20 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.49 1s1i n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1i n GLY 78 N 2.60 0.02 7.00 -0.02 0.00 -1.26 -4.47 105.19 109.06 1s1i n GLY 78 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1s1i n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1i n GLY 79 N -1.03 -1.40 3.68 -0.02 0.00 -1.26 -4.71 105.19 100.45 1s1i n GLY 79 Ca -0.18 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1s1i n GLY 79 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s1i s GLY 80 N -0.54 1.78 0.06 -0.02 0.00 -1.26 -4.35 107.32 102.98 1s1i s GLY 80 Ca 0.00 0.73 -0.27 0.00 0.00 0.00 0.00 44.72 45.18 1s1i s GLY 80 CO 0.00 2.56 1.17 -1.08 0.00 0.00 0.00 173.10 175.75 1s1i s THR 81 N 2.97 0.00 -0.12 0.90 -1.32 -1.26 -4.54 115.64 112.26 1s1i s THR 81 Ca 0.62 -0.37 -0.33 0.00 -1.21 0.00 0.00 61.69 60.39 1s1i s THR 81 Cb -0.28 -2.41 0.13 0.00 -1.51 0.00 0.00 72.50 68.43 1s1i s THR 81 CO 0.23 0.00 1.24 -0.83 -2.21 0.00 0.00 174.62 173.05 1s1i s GLY 82 N -3.25 -0.34 -0.81 6.08 0.00 -0.98 -3.82 107.32 104.20 1s1i s GLY 82 Ca 0.19 1.25 -0.00 0.00 0.00 0.00 0.00 44.72 46.16 1s1i s GLY 82 CO -0.00 0.37 0.66 1.09 0.00 0.00 0.00 173.10 175.22 1s1i s ARG 83 N -2.43 2.97 0.00 2.90 3.03 -1.25 -2.74 118.95 121.42 1s1i s ARG 83 Ca 0.11 -3.19 0.00 0.00 2.03 0.00 0.00 55.73 54.69 1s1i s ARG 83 Cb 0.01 -3.79 0.00 0.00 -1.03 0.00 0.00 34.95 30.14 1s1i s ARG 83 CO -0.04 -1.25 0.63 -1.13 -1.13 0.00 0.00 175.30 172.38 1s1i n SER 84 N 2.41 0.77 0.00 -2.89 3.41 -1.20 -4.77 113.62 111.36 1s1i n SER 84 Ca 0.19 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1s1i n SER 84 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1s1i n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s1i n GLY 85 N -0.18 2.06 3.45 5.00 0.00 -1.26 -4.86 105.19 109.41 1s1i n GLY 85 Ca 0.00 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 1s1i n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s1i s GLN 86 N 0.00 3.14 -0.39 1.61 -1.52 -1.26 -4.73 119.66 116.52 1s1i s GLN 86 Ca 0.00 -0.86 0.01 0.00 -1.95 0.00 0.00 55.36 52.55 1s1i s GLN 86 Cb 0.00 -4.12 0.13 0.00 -0.22 0.00 0.00 33.01 28.80 1s1i s GLN 86 CO 0.00 -1.31 0.20 0.20 -0.25 0.00 0.00 175.29 174.13 1s1i s GLY 87 N 2.85 1.28 0.33 3.09 0.00 -1.26 -4.76 107.32 108.86 1s1i s GLY 87 Ca 0.17 -2.17 0.08 0.00 0.00 0.00 0.00 44.72 42.80 1s1i s GLY 87 CO 0.12 1.74 0.11 0.00 0.00 0.00 0.00 173.10 175.08 1s1i s ALA 88 N 0.84 3.43 0.98 3.20 0.00 0.20 -4.59 121.76 125.83 1s1i s ALA 88 Ca 0.16 -1.81 -0.11 0.00 0.00 0.00 0.00 51.96 50.20 1s1i s ALA 88 Cb -0.23 -0.72 0.18 0.00 0.00 0.00 0.00 23.12 22.36 1s1i s ALA 88 CO -0.05 0.07 1.10 -0.06 0.00 0.00 0.00 175.76 176.82 1s1i s PHE 89 N -2.41 1.70 0.00 0.00 0.08 -1.26 -3.50 117.98 112.58 1s1i s PHE 89 Ca 0.36 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.93 1s1i s PHE 89 Cb -0.03 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 1s1i s PHE 89 CO 0.22 -3.02 0.00 0.41 -0.10 0.00 0.00 175.22 172.73 1s1i n GLY 90 N 0.11 0.46 0.35 4.36 0.00 -1.26 -3.61 105.19 105.59 1s1i n GLY 90 Ca 0.08 -1.04 0.01 0.00 0.00 0.00 0.00 46.02 45.07 1s1i n GLY 90 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s1i h ASN 91 N 7.10 0.84 -4.18 1.61 2.35 -2.06 -3.41 115.58 117.84 1s1i h ASN 91 Ca 0.00 -0.02 -0.54 0.00 -0.55 0.00 0.00 56.30 55.19 1s1i h ASN 91 Cb 0.00 -0.21 0.17 0.00 0.05 0.00 0.00 38.32 38.33 1s1i h ASN 91 CO 0.00 0.60 0.39 -0.04 -1.65 0.00 0.00 177.43 176.73 1s1i s MET 92 N -5.83 2.01 0.00 0.81 -1.94 -1.24 -5.01 119.30 108.11 1s1i s MET 92 Ca -0.11 1.80 0.00 0.00 -1.71 0.00 0.00 55.69 55.68 1s1i s MET 92 Cb 0.18 -1.81 0.00 0.00 2.01 0.00 0.00 34.83 35.21 1s1i s MET 92 CO 0.78 -1.94 0.00 0.00 -0.01 0.00 0.00 175.02 173.85 1s1i n ARG 94 N 0.00 3.08 0.00 0.00 1.74 -1.26 -0.62 116.66 119.60 1s1i n ARG 94 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1s1i n ARG 94 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1s1i n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s1i n GLY 95 N 5.00 -0.36 0.00 -0.13 0.00 -1.26 -2.33 105.19 106.11 1s1i n GLY 95 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1s1i n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1i n GLY 96 N 0.16 4.86 0.00 -0.02 0.00 -1.11 -4.03 105.19 105.05 1s1i n GLY 96 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1s1i n GLY 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s1i n ARG 97 N 0.00 0.00 -2.99 1.61 0.63 -1.25 -3.26 116.66 111.40 1s1i n ARG 97 Ca 0.00 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.49 1s1i n ARG 97 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 1s1i n ARG 97 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1s1i s MET 98 N 1.37 3.65 0.32 -0.14 0.23 -1.26 -4.78 119.30 118.68 1s1i s MET 98 Ca 0.00 -1.95 -0.27 0.00 -1.03 0.00 0.00 55.69 52.44 1s1i s MET 98 Cb 0.00 -4.85 -0.09 0.00 -1.53 0.00 0.00 34.83 28.36 1s1i s MET 98 CO 0.00 -1.69 1.01 -0.06 -2.03 0.00 0.00 175.02 172.25 1s1i s PHE 99 N 2.17 3.61 0.30 3.16 0.08 -1.26 -4.87 117.98 121.17 1s1i s PHE 99 Ca 0.31 1.75 0.08 0.00 0.12 0.00 0.00 56.93 59.20 1s1i s PHE 99 Cb -0.05 -3.08 -0.06 0.00 -0.57 0.00 0.00 43.02 39.25 1s1i s PHE 99 CO -0.09 -0.16 -0.10 0.00 -0.10 0.00 0.00 175.22 174.78 1s1i s ALA 100 N -1.42 2.60 -0.74 5.36 0.00 -1.26 -4.46 121.76 121.84 1s1i s ALA 100 Ca 0.49 -1.95 0.20 0.00 0.00 0.00 0.00 51.96 50.70 1s1i s ALA 100 Cb -0.24 0.02 -0.24 0.00 0.00 0.00 0.00 23.12 22.66 1s1i s ALA 100 CO 0.31 0.04 0.76 -0.35 0.00 0.00 0.00 175.76 176.52 1s1i n PRO 101 N -0.65 0.41 0.00 0.00 -0.04 -1.26 -5.05 135.00 128.41 1s1i n PRO 101 Ca -0.05 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1s1i n PRO 101 Cb 0.63 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1s1i n PRO 101 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1s1i n THR 102 N -1.65 0.00 -4.84 0.52 -1.04 -1.26 -4.91 114.28 101.10 1s1i n THR 102 Ca 0.02 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.72 1s1i n THR 102 Cb 0.37 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.74 1s1i n THR 102 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1s1i s LYS 103 N 0.00 1.97 0.11 -2.82 0.00 -1.26 -2.68 119.74 115.06 1s1i s LYS 103 Ca 0.00 -1.02 -0.14 0.00 0.00 0.00 0.00 55.97 54.81 1s1i s LYS 103 Cb 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 37.83 35.66 1s1i s LYS 103 CO 0.00 0.53 1.42 0.00 0.00 0.00 0.00 175.35 177.30 1s1i h THR 104 N 4.15 1.30 -1.43 3.79 1.03 -1.88 -3.36 112.91 116.50 1s1i h THR 104 Ca -0.47 -1.52 -0.41 0.00 -0.01 0.00 0.00 66.41 64.01 1s1i h THR 104 Cb 1.15 1.59 -0.04 0.00 -1.07 0.00 0.00 68.15 69.77 1s1i h THR 104 CO 0.46 0.49 1.09 -1.66 -0.01 0.00 0.00 175.52 175.88 1s1i s TRP 105 N -4.31 1.72 0.00 0.00 1.48 -1.26 -4.31 118.94 112.26 1s1i s TRP 105 Ca -0.12 0.72 0.00 0.00 -1.06 0.00 0.00 56.10 55.64 1s1i s TRP 105 Cb 0.09 -4.07 0.00 0.00 -1.16 0.00 0.00 33.47 28.33 1s1i s TRP 105 CO 0.84 -2.07 0.39 2.89 -4.06 0.00 0.00 176.95 174.95 1s1i n ARG 106 N 9.04 0.00 -3.58 3.25 -4.01 -1.26 -5.03 116.66 115.07 1s1i n ARG 106 Ca 0.29 -0.39 -0.26 0.00 -1.04 0.00 0.00 57.85 56.45 1s1i n ARG 106 Cb 0.50 -0.44 0.04 0.00 -3.04 0.00 0.00 32.46 29.52 1s1i n ARG 106 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1s1i n LYS 107 N 0.00 -1.35 -1.68 2.89 4.76 -1.26 -4.79 118.16 116.73 1s1i n LYS 107 Ca 0.00 0.63 -0.45 0.00 -2.87 0.00 0.00 58.31 55.62 1s1i n LYS 107 Cb 0.47 -4.31 -0.04 0.00 -1.84 0.00 0.00 35.03 29.32 1s1i n LYS 107 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1s1i n TRP 108 N -3.71 2.42 -0.54 2.13 7.02 -1.26 -4.78 117.44 118.71 1s1i n TRP 108 Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 1s1i n TRP 108 Cb 0.59 -2.66 0.00 0.00 -2.42 0.00 0.00 31.31 26.82 1s1i n TRP 108 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1s1i n ASN 109 N 5.46 2.29 -3.92 -0.99 4.13 -1.26 -4.88 115.26 116.10 1s1i n ASN 109 Ca 0.19 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.33 1s1i n ASN 109 Cb 0.32 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.49 1s1i n ASN 109 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1s1i s VAL 110 N -0.49 0.00 -0.10 2.41 -7.23 -1.26 -4.42 120.40 109.32 1s1i s VAL 110 Ca 0.00 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1s1i s VAL 110 Cb 0.00 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 34.51 1s1i s VAL 110 CO 0.00 0.00 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.92 1s1i s LYS 111 N -3.89 1.84 0.02 4.82 2.47 -1.26 -5.12 119.74 118.63 1s1i s LYS 111 Ca 0.34 -0.42 -0.13 0.00 -1.56 0.00 0.00 55.97 54.20 1s1i s LYS 111 Cb 0.04 -1.64 0.02 0.00 -1.46 0.00 0.00 37.83 34.78 1s1i s LYS 111 CO 0.14 -0.10 0.28 0.54 0.16 0.00 0.00 175.35 176.37 1s1i s VAL 112 N 1.10 0.08 0.39 4.02 0.11 -1.26 -5.07 120.40 119.77 1s1i s VAL 112 Ca -0.06 -0.66 -0.03 0.00 -2.93 0.00 0.00 61.98 58.30 1s1i s VAL 112 Cb -0.14 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1s1i s VAL 112 CO -0.02 -0.36 0.64 0.21 -3.33 0.00 0.00 175.10 172.24 1s1i s ASN 113 N -1.82 6.33 0.07 3.54 3.84 -1.26 -4.99 114.94 120.65 1s1i s ASN 113 Ca -0.08 0.71 -0.18 0.00 0.21 0.00 0.00 52.86 53.52 1s1i s ASN 113 Cb -0.02 -2.14 -0.11 0.00 -0.55 0.00 0.00 41.25 38.42 1s1i s ASN 113 CO -0.01 -0.38 1.40 0.45 -2.79 0.00 0.00 177.10 175.77 1s1i h HIS 114 N 0.78 0.60 -0.45 0.43 3.86 -2.01 -3.22 115.15 115.15 1s1i h HIS 114 Ca -0.48 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 58.50 1s1i h HIS 114 Cb 1.21 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.53 1s1i h HIS 114 CO 0.55 0.82 0.05 -0.91 0.86 0.00 0.00 177.93 179.30 1s1i h ASN 115 N 0.20 0.73 -1.01 2.45 2.35 -1.94 -2.46 115.58 115.90 1s1i h ASN 115 Ca 0.04 -0.28 -0.73 0.00 -0.55 0.00 0.00 56.30 54.78 1s1i h ASN 115 Cb 0.70 -0.20 -0.11 0.00 0.05 0.00 0.00 38.32 38.77 1s1i h ASN 115 CO 0.04 0.83 2.58 -0.62 -1.65 0.00 0.00 177.43 178.61 1s1i n GLU 116 N -4.44 4.37 0.00 0.81 4.71 -1.22 -2.53 120.64 122.34 1s1i n GLU 116 Ca 0.00 -3.29 0.00 0.00 -0.01 0.00 0.00 57.16 53.86 1s1i n GLU 116 Cb 0.27 -2.69 0.00 0.00 -1.01 0.00 0.00 31.44 28.01 1s1i n GLU 116 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1s1i n LYS 117 N 2.23 0.00 -1.55 3.49 3.00 -0.97 -4.09 118.16 120.27 1s1i n LYS 117 Ca 0.62 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.61 1s1i n LYS 117 Cb 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.24 1s1i n LYS 117 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1s1i n ARG 118 N -0.82 3.51 0.00 1.64 0.00 -0.97 -0.81 116.66 119.21 1s1i n ARG 118 Ca 0.00 -2.50 0.00 0.00 -0.00 0.00 0.00 57.85 55.35 1s1i n ARG 118 Cb 0.00 -2.48 0.00 0.00 -0.00 0.00 0.00 32.46 29.98 1s1i n ARG 118 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1s1i n TYR 119 N 2.19 0.00 -3.33 2.89 9.36 -1.05 -4.54 117.16 122.68 1s1i n TYR 119 Ca 0.61 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 61.47 1s1i n TYR 119 Cb 0.41 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.08 1s1i n TYR 119 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s1i n ALA 120 N -1.21 4.41 0.00 2.98 0.00 0.01 -3.23 120.51 123.47 1s1i n ALA 120 Ca 0.00 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.71 1s1i n ALA 120 Cb 0.19 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1s1i n ALA 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1s1i n THR 121 N 1.49 0.00 -1.31 0.00 -1.04 -1.22 -4.74 114.28 107.45 1s1i n THR 121 Ca 0.26 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.93 1s1i n THR 121 Cb 0.37 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.97 1s1i n THR 121 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s1i n ALA 122 N -2.01 6.25 -3.60 2.41 0.00 -1.23 -1.19 120.51 121.13 1s1i n ALA 122 Ca 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 53.44 50.04 1s1i n ALA 122 Cb 0.00 -1.74 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 1s1i n ALA 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1s1i s SER 123 N -1.74 -0.51 0.00 0.00 0.15 -1.20 -4.61 113.70 105.80 1s1i s SER 123 Ca 0.63 0.79 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1s1i s SER 123 Cb 0.50 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 66.10 1s1i s SER 123 CO 0.00 -0.12 0.00 0.00 1.20 0.00 0.00 173.24 174.32 1s1i n ALA 124 N 3.92 0.00 -1.86 5.45 0.00 -1.26 -4.18 120.51 122.58 1s1i n ALA 124 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1s1i n ALA 124 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1s1i n ALA 124 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1s1i s ILE 125 N 0.00 3.30 0.00 0.00 -4.36 -0.34 -1.72 121.20 118.09 1s1i s ILE 125 Ca 0.00 0.39 0.00 0.00 -0.26 0.00 0.00 60.65 60.78 1s1i s ILE 125 Cb 0.00 -3.25 0.00 0.00 1.25 0.00 0.00 42.46 40.46 1s1i s ILE 125 CO 0.00 -0.03 0.00 0.00 0.24 0.00 0.00 174.94 175.15 1s1i n ALA 126 N 7.21 0.00 -3.05 2.27 0.00 -1.26 -4.03 120.51 121.64 1s1i n ALA 126 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.18 1s1i n ALA 126 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1s1i n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i s ALA 127 N 0.00 3.55 0.00 0.00 0.00 -0.70 -4.06 121.76 120.55 1s1i s ALA 127 Ca 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 51.96 49.16 1s1i s ALA 127 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1s1i s ALA 127 CO 0.00 -2.71 0.00 2.41 0.00 0.00 0.00 175.76 175.46 1s1i n THR 128 N 5.12 0.00 -1.52 0.00 -1.04 -1.25 -3.44 114.28 112.15 1s1i n THR 128 Ca 0.16 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.71 1s1i n THR 128 Cb 0.48 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.93 1s1i n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s1i n ALA 129 N -3.00 1.36 -3.34 2.41 0.00 -1.26 -4.71 120.51 111.97 1s1i n ALA 129 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 53.44 53.26 1s1i n ALA 129 Cb 0.00 -2.75 0.01 0.00 0.00 0.00 0.00 19.45 16.70 1s1i n ALA 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1s1i n VAL 130 N 7.52 0.00 0.05 0.00 3.14 -1.26 -4.86 118.33 122.92 1s1i n VAL 130 Ca 0.37 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1s1i n VAL 130 Cb 0.34 0.31 0.00 0.00 -1.06 0.00 0.00 33.84 33.43 1s1i n VAL 130 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1s1i n ALA 131 N -2.12 3.00 0.02 1.55 0.00 -1.26 -4.09 120.51 117.61 1s1i n ALA 131 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1s1i n ALA 131 Cb 0.23 0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 1s1i n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s1i h SER 132 N 0.00 0.00 -1.08 0.00 4.64 -1.94 -2.61 113.55 112.56 1s1i h SER 132 Ca 0.00 -0.14 -0.74 0.00 -0.47 0.00 0.00 61.79 60.44 1s1i h SER 132 Cb 0.00 -0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.97 1s1i h SER 132 CO 0.00 0.15 2.49 -0.11 -0.87 0.00 0.00 176.83 178.48 1s1i n LEU 133 N -5.02 7.90 0.03 5.97 7.94 -1.26 -1.83 117.00 130.72 1s1i n LEU 133 Ca -0.07 -4.80 0.00 0.00 -1.11 0.00 0.00 56.01 50.02 1s1i n LEU 133 Cb 0.10 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 42.65 1s1i n LEU 133 CO 0.33 1.95 0.00 0.52 -1.11 0.00 0.00 177.39 179.08 1s1i n VAL 134 N 2.15 0.08 -3.20 1.96 0.31 -1.00 -3.62 118.33 115.01 1s1i n VAL 134 Ca 0.60 0.03 -0.46 0.00 -0.01 0.00 0.00 64.34 64.50 1s1i n VAL 134 Cb 0.26 -0.38 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 1s1i n VAL 134 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1s1i s LEU 135 N -5.50 6.06 0.00 7.52 2.34 -0.76 -4.28 118.68 124.06 1s1i s LEU 135 Ca 0.00 -2.20 0.00 0.00 0.06 0.00 0.00 54.13 51.99 1s1i s LEU 135 Cb 0.00 -2.27 0.00 0.00 -0.56 0.00 0.00 46.19 43.36 1s1i s LEU 135 CO 0.00 -0.82 0.00 0.00 -1.06 0.00 0.00 176.35 174.47 1s1i n ALA 136 N 5.14 0.09 -2.18 1.48 0.00 -0.99 -4.66 120.51 119.38 1s1i n ALA 136 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1s1i n ALA 136 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1s1i n ALA 136 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1s1i s ARG 137 N 0.07 4.28 0.00 0.00 3.03 -1.26 -4.86 118.95 120.22 1s1i s ARG 137 Ca 0.00 2.03 0.00 0.00 2.03 0.00 0.00 55.73 59.79 1s1i s ARG 137 Cb 0.00 -3.50 0.00 0.00 -1.03 0.00 0.00 34.95 30.42 1s1i s ARG 137 CO 0.00 -0.56 0.00 0.41 -1.13 0.00 0.00 175.30 174.02 1s1i n GLY 138 N 3.65 0.18 1.36 3.88 0.00 -1.26 -4.72 105.19 108.27 1s1i n GLY 138 Ca 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1s1i n GLY 138 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1s1i n HIS 139 N 0.00 -3.51 -4.20 1.61 1.44 -1.26 -4.11 115.22 105.19 1s1i n HIS 139 Ca 0.00 1.83 -0.28 0.00 -2.01 0.00 0.00 57.72 57.26 1s1i n HIS 139 Cb 0.00 -3.09 -0.17 0.00 0.12 0.00 0.00 29.99 26.85 1s1i n HIS 139 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 1s1i s ARG 140 N -2.66 2.00 0.01 -1.40 1.70 -1.26 -4.56 118.95 112.77 1s1i s ARG 140 Ca 0.00 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.80 1s1i s ARG 140 Cb 0.00 -1.81 -0.01 0.00 -0.57 0.00 0.00 34.95 32.55 1s1i s ARG 140 CO 0.00 -0.16 -0.02 0.14 -1.08 0.00 0.00 175.30 174.18 1s1i s VAL 141 N 1.28 0.14 0.22 4.99 -7.23 -1.26 -1.71 120.40 116.83 1s1i s VAL 141 Ca -0.01 -0.48 -0.03 0.00 -1.81 0.00 0.00 61.98 59.65 1s1i s VAL 141 Cb -0.14 -0.20 0.03 0.00 0.56 0.00 0.00 36.38 36.63 1s1i s VAL 141 CO -0.05 -0.22 1.63 1.05 -0.31 0.00 0.00 175.10 177.20 1s1i h GLU 142 N 5.40 0.70 -5.69 4.82 4.11 -1.94 -3.41 114.58 118.57 1s1i h GLU 142 Ca -0.29 -0.29 -0.47 0.00 0.07 0.00 0.00 59.36 58.38 1s1i h GLU 142 Cb 1.21 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1s1i h GLU 142 CO 0.46 0.89 1.59 0.21 0.07 0.00 0.00 179.01 182.23 1s1i s LYS 143 N -4.52 2.23 0.28 1.06 2.20 -1.26 -4.74 119.74 114.99 1s1i s LYS 143 Ca -0.09 1.35 0.06 0.00 -0.36 0.00 0.00 55.97 56.94 1s1i s LYS 143 Cb 0.13 -4.55 0.42 0.00 -1.51 0.00 0.00 37.83 32.32 1s1i s LYS 143 CO 0.83 -3.13 1.68 0.97 -0.36 0.00 0.00 175.35 175.33 1s1i h ILE 144 N 7.56 1.32 -3.15 5.43 -0.00 -1.99 -3.46 117.51 123.22 1s1i h ILE 144 Ca -0.25 -1.58 -0.36 0.00 -0.00 0.00 0.00 64.86 62.67 1s1i h ILE 144 Cb 1.25 1.72 0.18 0.00 -0.00 0.00 0.00 36.82 39.97 1s1i h ILE 144 CO 1.15 0.47 0.07 -2.65 -0.00 0.00 0.00 178.15 177.19 1s1i n PRO 145 N -4.01 -3.22 -1.15 2.19 -0.02 -1.26 -4.83 135.00 122.69 1s1i n PRO 145 Ca -0.02 -1.57 -0.45 0.00 -2.02 0.00 0.00 63.50 59.44 1s1i n PRO 145 Cb 0.50 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 1s1i n PRO 145 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1s1i n GLU 146 N -4.71 0.00 -1.07 -0.52 1.02 -1.26 -4.91 120.64 109.18 1s1i n GLU 146 Ca 0.14 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.21 1s1i n GLU 146 Cb 0.54 -1.14 0.15 0.00 -0.02 0.00 0.00 31.44 30.98 1s1i n GLU 146 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1s1i n ILE 147 N 1.30 2.44 -0.05 -3.67 -6.64 -1.26 -4.60 119.36 106.88 1s1i n ILE 147 Ca 0.16 -3.38 0.01 0.00 -1.77 0.00 0.00 62.75 57.76 1s1i n ILE 147 Cb 0.05 -0.54 0.31 0.00 -1.44 0.00 0.00 39.64 38.02 1s1i n ILE 147 CO 0.00 0.00 0.00 1.55 -1.77 0.00 0.00 176.55 176.33 1s1i h PRO 148 N 1.36 0.64 -5.53 6.28 0.13 -1.87 -3.41 132.00 129.61 1s1i h PRO 148 Ca 0.18 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 1s1i h PRO 148 Cb 1.30 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1s1i h PRO 148 CO 0.37 0.55 -0.21 -0.11 -0.23 0.00 0.00 178.00 178.36 1s1i n LEU 149 N -4.35 -6.36 -4.82 1.56 7.94 -1.25 -4.14 117.00 105.59 1s1i n LEU 149 Ca 0.03 -0.08 -0.30 0.00 -1.11 0.00 0.00 56.01 54.55 1s1i n LEU 149 Cb 0.16 -3.12 0.09 0.00 0.53 0.00 0.00 43.42 41.09 1s1i n LEU 149 CO 0.38 -1.12 0.72 0.68 -1.11 0.00 0.00 177.39 176.94 1s1i s VAL 150 N -2.91 2.87 0.00 1.96 -7.23 -1.25 0.79 120.40 114.63 1s1i s VAL 150 Ca 0.04 0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1s1i s VAL 150 Cb -0.01 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.86 1s1i s VAL 150 CO 0.77 -0.37 0.00 0.52 -0.31 0.00 0.00 175.10 175.71 1s1i n VAL 151 N -3.44 0.00 -4.33 1.32 0.31 -0.05 -4.22 118.33 107.92 1s1i n VAL 151 Ca 0.07 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.13 1s1i n VAL 151 Cb 0.57 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.47 1s1i n VAL 151 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1s1i n SER 152 N 0.00 2.98 -0.02 4.52 7.64 -1.12 -3.41 113.62 124.21 1s1i n SER 152 Ca 0.00 -2.87 -0.03 0.00 1.01 0.00 0.00 58.87 56.98 1s1i n SER 152 Cb 0.00 0.17 0.20 0.00 -1.01 0.00 0.00 64.21 63.57 1s1i n SER 152 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s1i h THR 153 N 0.99 1.25 -3.39 0.44 1.03 -1.94 -3.26 112.91 108.03 1s1i h THR 153 Ca -0.35 -1.14 -0.44 0.00 -0.01 0.00 0.00 66.41 64.46 1s1i h THR 153 Cb 1.14 1.18 0.20 0.00 -1.07 0.00 0.00 68.15 69.61 1s1i h THR 153 CO 0.57 0.37 0.05 -0.62 -0.01 0.00 0.00 175.52 175.88 1s1i s ASP 154 N -6.76 1.27 0.00 0.00 2.15 -1.26 -2.54 116.67 109.53 1s1i s ASP 154 Ca -0.08 1.46 0.00 0.00 0.43 0.00 0.00 52.55 54.36 1s1i s ASP 154 Cb 0.14 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 1s1i s ASP 154 CO 0.79 -4.01 0.00 -0.11 -0.17 0.00 0.00 175.17 171.67 1s1i n LEU 155 N -4.79 0.00 -0.11 -1.34 -0.00 -1.26 -4.75 117.00 104.75 1s1i n LEU 155 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.92 1s1i n LEU 155 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.93 1s1i n LEU 155 CO 0.57 0.00 0.61 -0.08 -0.00 0.00 0.00 177.39 178.49 1s1i h GLU 156 N 1.57 0.74 0.00 1.96 4.22 -1.77 -3.27 114.58 118.03 1s1i h GLU 156 Ca 0.00 -0.36 -0.08 0.00 0.08 0.00 0.00 59.36 59.00 1s1i h GLU 156 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1s1i h GLU 156 CO 0.00 0.97 -0.38 1.03 -2.18 0.00 0.00 179.01 178.46 1s1i h SER 157 N 0.51 0.00 -2.05 1.04 0.87 -1.85 -3.45 113.55 108.61 1s1i h SER 157 Ca 0.06 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 60.04 1s1i h SER 157 Cb 0.80 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1s1i h SER 157 CO 0.06 0.38 1.34 -0.38 -0.53 0.00 0.00 176.83 177.70 1s1i n ILE 158 N -3.56 0.52 -0.03 2.23 5.41 -1.23 -4.84 119.36 117.86 1s1i n ILE 158 Ca -0.00 -0.28 -0.15 0.00 1.00 0.00 0.00 62.75 63.31 1s1i n ILE 158 Cb 0.50 -2.30 -0.09 0.00 -0.71 0.00 0.00 39.64 37.04 1s1i n ILE 158 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 1s1i h GLN 159 N 12.39 0.40 -6.68 0.38 3.07 -1.91 -3.36 115.11 119.40 1s1i h GLN 159 Ca -0.44 -0.33 -0.69 0.00 0.09 0.00 0.00 58.65 57.28 1s1i h GLN 159 Cb 1.25 0.07 -0.27 0.00 0.08 0.00 0.00 27.48 28.62 1s1i h GLN 159 CO 0.96 0.97 -0.88 -1.59 0.09 0.00 0.00 178.83 178.38 1s1i s LYS 160 N -3.62 1.78 0.23 0.06 0.00 -1.26 -3.78 119.74 113.16 1s1i s LYS 160 Ca -0.14 -1.09 -0.28 0.00 0.00 0.00 0.00 55.97 54.46 1s1i s LYS 160 Cb 0.04 -1.94 -0.09 0.00 0.00 0.00 0.00 37.83 35.84 1s1i s LYS 160 CO 0.79 0.50 0.89 0.95 0.00 0.00 0.00 175.35 178.49 1s1i s THR 161 N -0.79 4.18 0.00 3.79 -4.23 -1.26 -3.33 115.64 113.99 1s1i s THR 161 Ca 0.11 1.94 0.00 0.00 -1.18 0.00 0.00 61.69 62.56 1s1i s THR 161 Cb -0.10 -4.23 0.00 0.00 1.34 0.00 0.00 72.50 69.51 1s1i s THR 161 CO 0.02 0.45 0.00 1.17 -0.54 0.00 0.00 174.62 175.72 1s1i n LYS 162 N 1.38 0.00 0.14 3.99 3.00 -1.26 -4.72 118.16 120.69 1s1i n LYS 162 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1s1i n LYS 162 Cb 0.48 0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.66 1s1i n LYS 162 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1s1i h GLU 163 N 0.00 0.00 -0.35 1.64 4.39 -1.96 0.74 114.58 119.04 1s1i h GLU 163 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1s1i h GLU 163 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1s1i h GLU 163 CO 0.00 0.61 -0.46 0.00 -1.16 0.00 0.00 179.01 178.00 1s1i h ALA 164 N 1.39 0.53 -0.96 3.43 0.00 -1.84 -2.90 119.26 118.90 1s1i h ALA 164 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1s1i h ALA 164 Cb 1.18 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1s1i h ALA 164 CO 0.08 0.68 0.61 0.28 0.00 0.00 0.00 179.25 180.90 1s1i h VAL 165 N 0.73 1.25 -0.43 0.00 2.07 -1.71 0.04 116.25 118.20 1s1i h VAL 165 Ca 0.04 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1s1i h VAL 165 Cb 1.06 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1s1i h VAL 165 CO 0.11 0.26 0.06 0.00 0.02 0.00 0.00 177.57 178.02 1s1i h ALA 166 N 1.36 0.58 -2.55 1.67 0.00 0.50 -2.97 119.26 117.84 1s1i h ALA 166 Ca 0.35 -0.23 -0.79 0.00 0.00 0.00 0.00 54.91 54.24 1s1i h ALA 166 Cb -0.11 -0.16 -0.27 0.00 0.00 0.00 0.00 17.79 17.25 1s1i h ALA 166 CO -0.07 0.31 0.45 0.00 0.00 0.00 0.00 179.25 179.94 1s1i s ALA 167 N -5.17 4.54 0.00 0.00 0.00 -0.02 -2.25 121.76 118.86 1s1i s ALA 167 Ca -0.13 -3.69 0.00 0.00 0.00 0.00 0.00 51.96 48.14 1s1i s ALA 167 Cb 0.11 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1s1i s ALA 167 CO 0.79 -2.27 0.00 1.47 0.00 0.00 0.00 175.76 175.75 1s1i n LEU 168 N 3.23 0.00 -0.16 0.00 -0.00 -1.10 -4.78 117.00 114.19 1s1i n LEU 168 Ca 0.23 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.15 1s1i n LEU 168 Cb 0.41 0.22 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 1s1i n LEU 168 CO 0.45 -0.22 0.96 0.07 -0.00 0.00 0.00 177.39 178.65 1s1i h LYS 169 N 0.00 0.68 -4.50 1.47 2.10 -1.35 -1.18 116.57 113.78 1s1i h LYS 169 Ca 0.00 -0.11 -0.74 0.00 -2.00 0.00 0.00 60.65 57.80 1s1i h LYS 169 Cb 0.00 -0.11 -0.21 0.00 -0.90 0.00 0.00 32.23 31.00 1s1i h LYS 169 CO 0.00 0.60 0.66 0.00 -2.00 0.00 0.00 179.45 178.71 1s1i s ALA 170 N -5.62 3.80 0.00 0.07 0.00 -0.95 -2.02 121.76 117.04 1s1i s ALA 170 Ca -0.13 -3.12 0.00 0.00 0.00 0.00 0.00 51.96 48.71 1s1i s ALA 170 Cb 0.11 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1s1i s ALA 170 CO 0.76 -2.67 0.00 1.33 0.00 0.00 0.00 175.76 175.18 1s1i n VAL 171 N 4.66 0.00 0.00 0.00 0.24 -1.08 -4.26 118.33 117.88 1s1i n VAL 171 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 1s1i n VAL 171 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 1s1i n VAL 171 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s1i n GLY 172 N 0.00 2.65 3.68 7.63 0.00 -0.47 -4.69 105.19 113.99 1s1i n GLY 172 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1s1i n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i s ALA 173 N -1.88 3.56 0.00 4.61 0.00 -1.17 -3.73 121.76 123.16 1s1i s ALA 173 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1s1i s ALA 173 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1s1i s ALA 173 CO 0.00 -0.93 0.00 -2.39 0.00 0.00 0.00 175.76 172.44 1s1i n HIS 174 N 5.70 0.00 0.13 0.00 -0.00 -1.26 -4.10 115.22 115.69 1s1i n HIS 174 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.83 1s1i n HIS 174 Cb 0.45 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.58 1s1i n HIS 174 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1s1i h SER 175 N 0.00 0.00 -0.25 4.39 0.87 -1.74 -2.96 113.55 113.87 1s1i h SER 175 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1s1i h SER 175 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1s1i h SER 175 CO 0.00 0.66 0.10 -0.78 -0.53 0.00 0.00 176.83 176.28 1s1i h ASP 176 N 0.00 0.13 0.32 6.23 3.58 -1.63 0.76 116.42 125.81 1s1i h ASP 176 Ca -0.01 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 1s1i h ASP 176 Cb 1.19 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 1s1i h ASP 176 CO 0.09 0.11 -0.28 0.17 -2.88 0.00 0.00 179.24 176.45 1s1i h LEU 177 N 0.23 0.00 -0.76 2.28 -0.00 -1.84 0.40 115.31 115.62 1s1i h LEU 177 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 1s1i h LEU 177 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.68 1s1i h LEU 177 CO -0.10 0.28 0.40 0.25 -0.00 0.00 0.00 178.44 179.27 1s1i h LEU 178 N 0.00 0.97 -7.67 0.17 6.46 -0.64 -3.07 115.31 111.53 1s1i h LEU 178 Ca -0.00 -0.11 -0.77 0.00 -0.12 0.00 0.00 57.88 56.88 1s1i h LEU 178 Cb 0.51 -0.25 -0.23 0.00 -0.73 0.00 0.00 40.66 39.96 1s1i h LEU 178 CO 0.04 0.80 0.82 -0.75 -0.62 0.00 0.00 178.44 178.73 1s1i s LYS 179 N -5.80 4.09 0.23 1.25 2.20 0.24 -4.76 119.74 117.19 1s1i s LYS 179 Ca -0.13 -2.83 0.02 0.00 -0.36 0.00 0.00 55.97 52.67 1s1i s LYS 179 Cb 0.15 -4.78 -0.01 0.00 -1.51 0.00 0.00 37.83 31.69 1s1i s LYS 179 CO 0.81 -1.49 0.07 0.28 -0.36 0.00 0.00 175.35 174.66 1s1i n VAL 180 N 3.72 0.00 0.02 4.02 0.31 -1.16 -4.76 118.33 120.48 1s1i n VAL 180 Ca 0.28 -1.32 0.02 0.00 -0.01 0.00 0.00 64.34 63.31 1s1i n VAL 180 Cb 0.42 0.45 0.36 0.00 -0.91 0.00 0.00 33.84 34.16 1s1i n VAL 180 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1s1i h LEU 181 N 0.00 0.44 1.13 7.52 6.46 -1.82 -3.44 115.31 125.61 1s1i h LEU 181 Ca -0.18 -0.05 -0.39 0.00 -0.12 0.00 0.00 57.88 57.13 1s1i h LEU 181 Cb 0.68 -0.11 -0.14 0.00 -0.73 0.00 0.00 40.66 40.35 1s1i h LEU 181 CO 0.29 0.45 -0.38 1.17 -0.62 0.00 0.00 178.44 179.35 1s1i n LYS 182 N -4.36 -1.37 0.00 1.25 0.00 -1.26 -4.82 118.16 107.61 1s1i n LYS 182 Ca 0.02 1.15 0.00 0.00 0.00 0.00 0.00 58.31 59.48 1s1i n LYS 182 Cb 0.17 -5.50 0.00 0.00 0.00 0.00 0.00 35.03 29.70 1s1i n LYS 182 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1s1i n SER 183 N -1.19 0.00 -4.74 3.14 3.41 -1.26 -5.12 113.62 107.85 1s1i n SER 183 Ca -0.20 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.05 1s1i n SER 183 Cb 0.64 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 1s1i n SER 183 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1s1i s LYS 184 N -2.00 4.15 -0.09 4.33 1.02 -1.26 -4.59 119.74 121.30 1s1i s LYS 184 Ca 0.00 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 55.94 1s1i s LYS 184 Cb 0.00 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 1s1i s LYS 184 CO 0.00 0.32 -0.10 0.15 -0.92 0.00 0.00 175.35 174.80 1s1i s LYS 185 N 0.25 2.93 0.38 1.68 -0.14 -0.61 -4.90 119.74 119.33 1s1i s LYS 185 Ca 0.13 -0.62 -0.25 0.00 -1.36 0.00 0.00 55.97 53.87 1s1i s LYS 185 Cb -0.12 -2.57 -0.09 0.00 -1.68 0.00 0.00 37.83 33.37 1s1i s LYS 185 CO 0.01 0.50 1.07 -0.48 -0.76 0.00 0.00 175.35 175.70 1s1i s LEU 186 N -0.39 4.22 -0.19 3.17 2.34 -1.21 -3.62 118.68 123.00 1s1i s LEU 186 Ca 0.05 2.11 -0.07 0.00 0.06 0.00 0.00 54.13 56.28 1s1i s LEU 186 Cb -0.12 -4.07 -0.04 0.00 -0.56 0.00 0.00 46.19 41.40 1s1i s LEU 186 CO 0.02 -0.46 0.05 -0.60 -1.06 0.00 0.00 176.35 174.31 1s1i s ARG 187 N -2.29 3.88 0.73 1.48 6.06 0.25 -4.72 118.95 124.34 1s1i s ARG 187 Ca 0.55 -0.39 -0.11 0.00 -2.50 0.00 0.00 55.73 53.28 1s1i s ARG 187 Cb -0.25 -3.19 0.03 0.00 0.06 0.00 0.00 34.95 31.60 1s1i s ARG 187 CO 0.31 0.20 1.09 0.00 -2.50 0.00 0.00 175.30 174.40 1s1i s ALA 188 N 0.55 2.66 0.00 6.12 0.00 -1.26 -4.24 121.76 125.59 1s1i s ALA 188 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1s1i s ALA 188 Cb -0.13 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1s1i s ALA 188 CO 0.01 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.87 1s1i n GLY 189 N -2.53 -2.12 3.66 0.00 0.00 -1.26 -4.93 105.19 98.01 1s1i n GLY 189 Ca 0.07 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 1s1i n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1i s LYS 190 N -0.16 0.81 0.00 1.61 2.47 -1.26 -3.04 119.74 120.17 1s1i s LYS 190 Ca 0.00 1.00 0.00 0.00 -1.56 0.00 0.00 55.97 55.41 1s1i s LYS 190 Cb 0.00 -1.74 0.00 0.00 -1.46 0.00 0.00 37.83 34.63 1s1i s LYS 190 CO 0.00 -2.60 0.00 0.41 0.16 0.00 0.00 175.35 173.32 1s1i n GLY 191 N -0.44 3.45 0.23 5.54 0.00 -1.26 -4.82 105.19 107.88 1s1i n GLY 191 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1s1i n GLY 191 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1s1i h LYS 192 N 2.69 0.76 -4.78 1.61 5.09 -1.76 -0.06 116.57 120.10 1s1i h LYS 192 Ca 0.00 -0.26 -0.68 0.00 0.09 0.00 0.00 60.65 59.80 1s1i h LYS 192 Cb 0.00 -0.06 -0.30 0.00 0.10 0.00 0.00 32.23 31.97 1s1i h LYS 192 CO 0.00 0.85 -0.66 1.52 -2.09 0.00 0.00 179.45 179.07 1s1i s TYR 193 N -4.94 3.19 -4.71 0.07 1.13 -1.26 -4.43 117.35 106.40 1s1i s TYR 193 Ca -0.13 -1.46 0.00 0.00 -1.41 0.00 0.00 57.07 54.07 1s1i s TYR 193 Cb 0.10 -2.18 0.00 0.00 -1.10 0.00 0.00 41.96 38.78 1s1i s TYR 193 CO 0.81 -0.71 0.00 2.89 -2.51 0.00 0.00 175.55 176.02 1s1i n ARG 194 N 4.75 0.00 -1.78 -3.49 1.85 -1.26 -4.96 116.66 111.77 1s1i n ARG 194 Ca -0.14 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.29 1s1i n ARG 194 Cb 0.46 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.84 1s1i n ARG 194 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1s1i s ASN 195 N -4.00 6.51 -0.43 2.89 0.02 -1.26 -4.83 114.94 113.84 1s1i s ASN 195 Ca 0.00 2.58 -0.28 0.00 -1.02 0.00 0.00 52.86 54.14 1s1i s ASN 195 Cb 0.00 -2.54 0.02 0.00 0.02 0.00 0.00 41.25 38.75 1s1i s ASN 195 CO 0.00 -1.00 1.06 0.00 0.02 0.00 0.00 177.10 177.19 1s1i s ARG 196 N 3.74 3.79 0.12 -0.60 3.03 -1.16 -4.50 118.95 123.36 1s1i s ARG 196 Ca 0.82 0.62 -0.17 0.00 2.03 0.00 0.00 55.73 59.03 1s1i s ARG 196 Cb -0.41 -3.86 -0.04 0.00 -1.03 0.00 0.00 34.95 29.61 1s1i s ARG 196 CO 0.37 -1.19 1.63 0.07 -1.13 0.00 0.00 175.30 175.04 1s1i h ARG 197 N 8.85 0.53 0.00 3.89 -0.00 -1.28 -3.42 114.38 122.94 1s1i h ARG 197 Ca -0.23 -0.12 0.00 0.00 -0.00 0.00 0.00 59.98 59.64 1s1i h ARG 197 Cb 1.06 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 30.96 1s1i h ARG 197 CO 1.07 0.56 0.00 -2.67 -0.00 0.00 0.00 179.97 178.94 1s1i n TRP 198 N -4.65 0.00 0.12 4.08 4.27 -1.26 0.01 117.44 120.00 1s1i n TRP 198 Ca -0.01 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.68 1s1i n TRP 198 Cb 0.18 0.00 0.56 0.00 -1.36 0.00 0.00 31.31 30.68 1s1i n TRP 198 CO 0.00 0.00 0.00 1.15 -2.29 0.00 0.00 177.69 176.55 1s1i h THR 199 N 0.00 1.00 -0.76 -1.67 2.02 -1.85 0.71 112.91 112.36 1s1i h THR 199 Ca 0.00 -0.08 -0.17 0.00 0.77 0.00 0.00 66.41 66.94 1s1i h THR 199 Cb 0.00 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1s1i h THR 199 CO 0.00 0.04 0.53 -1.58 0.37 0.00 0.00 175.52 174.88 1s1i s GLN 200 N -5.24 1.86 -0.08 6.66 -0.44 0.10 -1.58 119.66 120.95 1s1i s GLN 200 Ca -0.06 0.61 -0.31 0.00 -2.50 0.00 0.00 55.36 53.11 1s1i s GLN 200 Cb 0.18 -4.75 0.12 0.00 -1.64 0.00 0.00 33.01 26.91 1s1i s GLN 200 CO 0.70 -3.99 0.99 1.03 0.50 0.00 0.00 175.29 174.52 1s1i s ARG 201 N 8.46 0.64 -0.08 1.67 1.81 -1.24 -4.70 118.95 125.51 1s1i s ARG 201 Ca 0.90 -0.17 -0.32 0.00 -1.72 0.00 0.00 55.73 54.42 1s1i s ARG 201 Cb -0.13 0.30 0.12 0.00 -0.45 0.00 0.00 34.95 34.79 1s1i s ARG 201 CO 0.12 -0.27 1.22 -0.98 -0.68 0.00 0.00 175.30 174.71 1s1i s ARG 202 N -2.54 0.43 0.65 3.54 3.03 -1.26 -2.84 118.95 119.95 1s1i s ARG 202 Ca 0.05 -0.21 -0.10 0.00 2.03 0.00 0.00 55.73 57.50 1s1i s ARG 202 Cb -0.01 0.16 -0.01 0.00 -1.03 0.00 0.00 34.95 34.07 1s1i s ARG 202 CO -0.06 -0.19 1.04 0.20 -1.13 0.00 0.00 175.30 175.16 1s1i s GLY 203 N -2.63 1.63 0.71 3.88 0.00 -1.26 -4.77 107.32 104.88 1s1i s GLY 203 Ca 0.12 -0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.43 1s1i s GLY 203 CO -0.04 0.02 1.10 2.56 0.00 0.00 0.00 173.10 176.74 1s1i s PRO 204 N -5.23 2.83 0.00 2.90 0.04 -1.26 -4.27 135.00 130.01 1s1i s PRO 204 Ca 0.56 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1s1i s PRO 204 Cb -0.11 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1s1i s PRO 204 CO 0.52 -1.06 0.00 -0.11 0.04 0.00 0.00 177.00 176.39 1s1i n LEU 205 N -3.02 0.00 -0.19 -3.56 7.94 0.10 -4.77 117.00 113.50 1s1i n LEU 205 Ca 0.07 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.89 1s1i n LEU 205 Cb 0.57 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.54 1s1i n LEU 205 CO 0.58 0.00 0.94 0.58 -1.11 0.00 0.00 177.39 178.37 1s1i h VAL 206 N 0.00 1.23 -3.26 1.96 2.07 -1.82 -3.38 116.25 113.05 1s1i h VAL 206 Ca 0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1s1i h VAL 206 Cb 0.00 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1s1i h VAL 206 CO 0.00 0.28 -0.74 0.55 0.02 0.00 0.00 177.57 177.68 1s1i n VAL 207 N -4.48 -5.99 -4.46 2.57 3.14 -1.24 -3.03 118.33 104.84 1s1i n VAL 207 Ca 0.02 2.18 -0.28 0.00 -2.96 0.00 0.00 64.34 63.30 1s1i n VAL 207 Cb 0.19 -3.28 -0.17 0.00 -1.06 0.00 0.00 33.84 29.52 1s1i n VAL 207 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 1s1i s TYR 208 N -1.49 1.84 -0.08 1.45 2.02 -0.24 -2.65 117.35 118.20 1s1i s TYR 208 Ca 0.00 -0.84 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 1s1i s TYR 208 Cb 0.00 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.19 1s1i s TYR 208 CO 0.00 -0.44 -0.06 0.00 -1.57 0.00 0.00 175.55 173.48 1s1i s ALA 209 N 0.96 3.01 0.08 3.71 0.00 -0.24 -0.40 121.76 128.88 1s1i s ALA 209 Ca -0.08 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1s1i s ALA 209 Cb -0.15 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 1s1i s ALA 209 CO -0.01 0.53 0.08 -1.91 0.00 0.00 0.00 175.76 174.46 1s1i n GLU 210 N 2.37 0.12 0.00 0.00 4.07 -0.58 -2.67 120.64 123.94 1s1i n GLU 210 Ca -0.18 -0.80 0.00 0.00 -0.06 0.00 0.00 57.16 56.12 1s1i n GLU 210 Cb 0.53 0.68 0.00 0.00 -0.06 0.00 0.00 31.44 32.59 1s1i n GLU 210 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1s1i n ASP 211 N -2.52 0.00 -0.22 4.31 -0.08 -1.26 -0.60 116.55 116.17 1s1i n ASP 211 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1s1i n ASP 211 Cb 0.15 0.00 0.12 0.00 2.34 0.00 0.00 41.12 43.73 1s1i n ASP 211 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 1s1i h ASN 212 N 0.00 0.38 -4.15 1.67 -0.73 -1.97 -3.38 115.58 107.39 1s1i h ASN 212 Ca 0.00 0.06 -0.48 0.00 1.87 0.00 0.00 56.30 57.75 1s1i h ASN 212 Cb 0.00 0.00 0.07 0.00 0.27 0.00 0.00 38.32 38.67 1s1i h ASN 212 CO 0.00 0.22 0.32 -0.83 -0.37 0.00 0.00 177.43 176.77 1s1i s GLY 213 N -3.13 1.62 -0.08 1.57 0.00 -1.26 -4.91 107.32 101.13 1s1i s GLY 213 Ca -0.13 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.03 1s1i s GLY 213 CO 0.75 -0.21 -0.11 -0.26 0.00 0.00 0.00 173.10 173.27 1s1i s ILE 214 N -3.27 3.29 -0.13 0.90 -0.00 -1.26 -4.54 121.20 116.19 1s1i s ILE 214 Ca 0.58 -0.62 -0.29 0.00 -0.00 0.00 0.00 60.65 60.31 1s1i s ILE 214 Cb -0.11 -2.33 -0.03 0.00 -0.00 0.00 0.00 42.46 39.99 1s1i s ILE 214 CO 0.48 0.57 1.38 0.54 -0.00 0.00 0.00 174.94 177.91 1s1i s VAL 215 N -0.48 4.06 0.02 8.37 0.11 -1.26 -4.86 120.40 126.36 1s1i s VAL 215 Ca 0.07 1.30 -0.22 0.00 -2.93 0.00 0.00 61.98 60.19 1s1i s VAL 215 Cb -0.12 -3.84 -0.16 0.00 -1.53 0.00 0.00 36.38 30.73 1s1i s VAL 215 CO 0.02 -0.11 1.32 0.11 -3.33 0.00 0.00 175.10 173.11 1s1i h LYS 216 N 8.54 0.25 -4.67 1.54 1.79 -1.90 -3.10 116.57 119.02 1s1i h LYS 216 Ca -0.31 -0.13 -0.74 0.00 -2.18 0.00 0.00 60.65 57.29 1s1i h LYS 216 Cb 1.13 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.60 1s1i h LYS 216 CO 0.96 0.66 1.29 0.00 -1.08 0.00 0.00 179.45 181.29 1s1i s ALA 217 N -4.28 4.06 0.00 3.86 0.00 -1.25 -2.43 121.76 121.73 1s1i s ALA 217 Ca -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 51.96 48.41 1s1i s ALA 217 Cb 0.04 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1s1i s ALA 217 CO 0.73 -2.73 0.00 1.28 0.00 0.00 0.00 175.76 175.04 1s1i n LEU 218 N 5.43 0.00 0.17 0.00 7.99 -1.25 -4.46 117.00 124.88 1s1i n LEU 218 Ca 0.36 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 56.22 1s1i n LEU 218 Cb 0.42 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.67 1s1i n LEU 218 CO 0.61 0.00 0.71 -0.09 -1.51 0.00 0.00 177.39 177.12 1s1i h ARG 219 N 0.00 -0.48 -6.50 3.23 1.12 -1.39 -3.31 114.38 107.05 1s1i h ARG 219 Ca 0.00 0.03 -0.53 0.00 -1.11 0.00 0.00 59.98 58.37 1s1i h ARG 219 Cb 0.00 0.11 0.02 0.00 -0.01 0.00 0.00 29.97 30.09 1s1i h ARG 219 CO 0.00 -0.32 0.79 0.54 -3.11 0.00 0.00 179.97 177.87 1s1i s ASN 220 N -4.77 6.79 -0.01 -3.80 4.22 -1.26 -4.54 114.94 111.56 1s1i s ASN 220 Ca -0.16 2.32 -0.28 0.00 -2.14 0.00 0.00 52.86 52.60 1s1i s ASN 220 Cb 0.06 -2.58 0.09 0.00 1.28 0.00 0.00 41.25 40.11 1s1i s ASN 220 CO 0.64 -0.71 1.28 0.54 -2.04 0.00 0.00 177.10 176.81 1s1i s VAL 221 N 1.59 0.00 0.17 3.54 0.11 -1.25 -4.98 120.40 119.59 1s1i s VAL 221 Ca 0.66 -0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 59.40 1s1i s VAL 221 Cb -0.36 -3.00 0.08 0.00 -1.53 0.00 0.00 36.38 31.57 1s1i s VAL 221 CO 0.30 0.00 1.78 -0.65 -3.33 0.00 0.00 175.10 173.20 1s1i h PRO 222 N 2.00 0.82 -0.04 1.54 0.11 -1.88 -3.39 132.00 131.17 1s1i h PRO 222 Ca -0.22 -0.10 -0.19 0.00 0.11 0.00 0.00 66.00 65.61 1s1i h PRO 222 Cb 1.18 -0.16 -0.17 0.00 0.11 0.00 0.00 31.00 31.97 1s1i h PRO 222 CO 0.31 0.63 -0.34 0.41 -0.21 0.00 0.00 178.00 178.81 1s1i n GLY 223 N -1.02 1.89 3.87 -0.55 0.00 -1.26 -4.45 105.19 103.66 1s1i n GLY 223 Ca 0.04 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1s1i n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1i s VAL 224 N -0.10 5.14 0.09 1.61 0.11 -1.26 0.03 120.40 126.02 1s1i s VAL 224 Ca 0.13 -0.45 0.10 0.00 -2.93 0.00 0.00 61.98 58.83 1s1i s VAL 224 Cb 0.43 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 31.78 1s1i s VAL 224 CO -0.11 0.18 -0.26 -1.83 -3.33 0.00 0.00 175.10 169.75 1s1i s GLU 225 N -2.33 1.61 0.05 1.54 1.03 -1.26 -4.79 118.70 114.55 1s1i s GLU 225 Ca 0.31 -1.23 0.08 0.00 0.03 0.00 0.00 54.97 54.17 1s1i s GLU 225 Cb -0.13 -1.96 -0.03 0.00 -0.80 0.00 0.00 34.13 31.22 1s1i s GLU 225 CO 0.24 0.48 -0.22 -0.08 -1.33 0.00 0.00 175.26 174.35 1s1i s THR 226 N -0.96 2.51 0.32 1.83 -1.32 -1.26 -1.08 115.64 115.67 1s1i s THR 226 Ca 0.13 -1.32 -0.06 0.00 -1.21 0.00 0.00 61.69 59.23 1s1i s THR 226 Cb -0.10 -2.04 0.00 0.00 -1.51 0.00 0.00 72.50 68.86 1s1i s THR 226 CO 0.05 0.32 0.49 0.00 -2.21 0.00 0.00 174.62 173.26 1s1i s ALA 227 N -0.90 0.41 0.10 11.08 0.00 0.46 -4.92 121.76 127.99 1s1i s ALA 227 Ca 0.14 -1.30 0.08 0.00 0.00 0.00 0.00 51.96 50.88 1s1i s ALA 227 Cb -0.10 1.10 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 1s1i s ALA 227 CO 0.04 -0.81 -0.22 0.54 0.00 0.00 0.00 175.76 175.31 1s1i s ASN 228 N -3.17 2.63 0.19 0.00 2.20 -1.26 -1.53 114.94 114.00 1s1i s ASN 228 Ca 0.28 -0.67 -0.12 0.00 -0.94 0.00 0.00 52.86 51.41 1s1i s ASN 228 Cb -0.01 -0.16 0.20 0.00 -2.00 0.00 0.00 41.25 39.29 1s1i s ASN 228 CO 0.16 0.09 1.75 1.62 -2.94 0.00 0.00 177.10 177.78 1s1i h VAL 229 N 4.09 0.84 -1.72 3.54 3.04 -1.04 -1.30 116.25 123.69 1s1i h VAL 229 Ca -0.46 -0.14 -0.73 0.00 -1.01 0.00 0.00 66.70 64.36 1s1i h VAL 229 Cb 1.18 0.40 -0.15 0.00 -2.01 0.00 0.00 31.29 30.70 1s1i h VAL 229 CO 0.40 0.07 1.68 0.00 -1.01 0.00 0.00 177.57 178.72 1s1i n ALA 230 N -2.42 4.09 0.00 3.17 0.00 -1.26 -2.90 120.51 121.19 1s1i n ALA 230 Ca 0.06 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.34 1s1i n ALA 230 Cb 0.21 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.49 1s1i n ALA 230 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1s1i n SER 231 N 5.94 0.00 -4.73 0.00 3.41 -0.89 -5.09 113.62 112.25 1s1i n SER 231 Ca 0.40 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.62 1s1i n SER 231 Cb 0.42 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1s1i n SER 231 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s1i n LEU 232 N 0.00 5.24 -4.76 1.04 7.99 -0.54 -4.87 117.00 121.10 1s1i n LEU 232 Ca 0.00 0.99 -0.33 0.00 -0.01 0.00 0.00 56.01 56.67 1s1i n LEU 232 Cb 0.00 -1.56 -0.07 0.00 -0.11 0.00 0.00 43.42 41.68 1s1i n LEU 232 CO 0.00 -0.64 -0.24 0.20 -1.51 0.00 0.00 177.39 175.20 1s1i s ASN 233 N -0.86 4.15 0.39 -1.43 0.01 -1.26 -5.01 114.94 110.92 1s1i s ASN 233 Ca 0.70 -1.62 0.27 0.00 -0.71 0.00 0.00 52.86 51.50 1s1i s ASN 233 Cb -0.43 0.48 0.92 0.00 0.41 0.00 0.00 41.25 42.63 1s1i s ASN 233 CO 0.50 -0.85 1.79 0.25 -1.51 0.00 0.00 177.10 177.29 1s1i h LEU 234 N 1.34 0.00 -0.02 0.60 5.85 -1.84 -3.30 115.31 117.94 1s1i h LEU 234 Ca -0.44 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1s1i h LEU 234 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1s1i h LEU 234 CO 0.74 0.00 -0.08 0.17 -0.34 0.00 0.00 178.44 178.93 1s1i h LEU 235 N 0.00 0.10 -0.02 2.25 8.10 -1.83 -3.38 115.31 120.52 1s1i h LEU 235 Ca 0.00 -0.64 -0.00 0.00 0.11 0.00 0.00 57.88 57.34 1s1i h LEU 235 Cb 0.64 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.83 1s1i h LEU 235 CO 0.00 0.73 -0.00 -0.61 -4.11 0.00 0.00 178.44 174.45 1s1i h GLN 236 N -0.52 0.04 -6.68 0.17 4.15 -1.87 -2.17 115.11 108.24 1s1i h GLN 236 Ca -0.00 -0.01 -0.52 0.00 0.77 0.00 0.00 58.65 58.88 1s1i h GLN 236 Cb 0.72 -0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.44 1s1i h GLN 236 CO 0.02 0.34 0.62 -0.51 -1.93 0.00 0.00 178.83 177.37 1s1i s LEU 237 N -9.56 4.43 -0.66 -2.39 1.43 -1.24 -3.48 118.68 107.20 1s1i s LEU 237 Ca -0.15 2.36 -0.07 0.00 -1.03 0.00 0.00 54.13 55.24 1s1i s LEU 237 Cb 0.04 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.66 1s1i s LEU 237 CO 0.68 -0.48 0.65 0.00 0.23 0.00 0.00 176.35 177.43 1s1i n ALA 238 N 2.53 -2.66 -0.03 4.21 0.00 -1.11 -4.61 120.51 118.84 1s1i n ALA 238 Ca 0.05 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1s1i n ALA 238 Cb 0.43 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1s1i n ALA 238 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1s1i n PRO 239 N -1.47 0.00 -3.82 0.00 -0.04 -0.81 -4.37 135.00 124.48 1s1i n PRO 239 Ca -0.05 0.73 -0.30 0.00 -0.04 0.00 0.00 63.50 63.85 1s1i n PRO 239 Cb 0.55 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 1s1i n PRO 239 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1s1i s GLY 240 N -0.97 1.72 0.00 0.55 0.00 -1.26 -4.79 107.32 102.58 1s1i s GLY 240 Ca 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 44.72 42.23 1s1i s GLY 240 CO 0.00 1.34 0.00 0.00 0.00 0.00 0.00 173.10 174.44 1s1i n ALA 241 N 3.92 -0.89 -3.00 3.20 0.00 -1.26 -4.96 120.51 117.52 1s1i n ALA 241 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1s1i n ALA 241 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1s1i n ALA 241 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1s1i n HIS 242 N 0.59 -0.31 0.00 0.00 -0.00 -1.26 -5.01 115.22 109.23 1s1i n HIS 242 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1s1i n HIS 242 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1s1i n HIS 242 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1s1i n LEU 243 N 0.00 0.00 -4.58 2.41 7.99 -1.26 -4.71 117.00 116.86 1s1i n LEU 243 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 56.01 55.77 1s1i n LEU 243 Cb 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.23 1s1i n LEU 243 CO 0.00 0.00 1.34 -0.83 -1.51 0.00 0.00 177.39 176.39 1s1i s GLY 244 N 0.00 -0.31 0.83 -0.72 0.00 -1.22 -2.73 107.32 103.17 1s1i s GLY 244 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 44.72 42.83 1s1i s GLY 244 CO 0.00 3.82 1.13 -1.60 0.00 0.00 0.00 173.10 176.46 1s1i s ARG 245 N 7.32 1.65 0.55 2.90 3.00 -1.26 -4.23 118.95 128.87 1s1i s ARG 245 Ca 0.74 1.43 -0.19 0.00 -1.00 0.00 0.00 55.73 56.70 1s1i s ARG 245 Cb -0.04 -1.81 -0.05 0.00 0.00 0.00 0.00 34.95 33.05 1s1i s ARG 245 CO 0.13 -2.14 1.15 0.12 0.00 0.00 0.00 175.30 174.56 1s1i s PHE 246 N -2.67 2.62 0.04 5.12 5.36 -1.26 -4.80 117.98 122.39 1s1i s PHE 246 Ca 0.65 1.54 -0.14 0.00 -0.96 0.00 0.00 56.93 58.02 1s1i s PHE 246 Cb -0.21 -3.33 0.02 0.00 -0.34 0.00 0.00 43.02 39.15 1s1i s PHE 246 CO 0.55 -1.71 0.31 0.14 -1.46 0.00 0.00 175.22 173.06 1s1i s VAL 247 N -1.72 0.08 -0.02 3.12 -7.23 -1.17 -4.17 120.40 109.28 1s1i s VAL 247 Ca 0.73 -0.67 0.04 0.00 -1.81 0.00 0.00 61.98 60.28 1s1i s VAL 247 Cb -0.25 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.74 1s1i s VAL 247 CO 0.28 -0.37 -0.15 -0.51 -0.31 0.00 0.00 175.10 174.05 1s1i s ILE 248 N -2.56 1.18 -0.01 -0.62 2.07 -1.08 -3.77 121.20 116.41 1s1i s ILE 248 Ca -0.05 -0.62 0.05 0.00 -1.41 0.00 0.00 60.65 58.62 1s1i s ILE 248 Cb -0.01 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 1s1i s ILE 248 CO -0.03 0.34 -0.17 0.26 -1.91 0.00 0.00 174.94 173.42 1s1i s TRP 249 N -0.21 1.54 0.72 3.50 0.52 0.24 -1.08 118.94 124.16 1s1i s TRP 249 Ca 0.03 -0.29 -0.12 0.00 0.02 0.00 0.00 56.10 55.74 1s1i s TRP 249 Cb -0.07 -0.99 0.03 0.00 -1.15 0.00 0.00 33.47 31.29 1s1i s TRP 249 CO 0.00 -0.02 1.08 -0.08 0.02 0.00 0.00 176.95 177.95 1s1i s THR 250 N -0.41 3.57 -1.00 2.01 -1.32 -1.09 -0.87 115.64 116.52 1s1i s THR 250 Ca 0.07 0.55 -0.13 0.00 -1.21 0.00 0.00 61.69 60.97 1s1i s THR 250 Cb -0.07 -3.12 0.22 0.00 -1.51 0.00 0.00 72.50 68.02 1s1i s THR 250 CO -0.01 -0.62 1.05 -1.61 -2.21 0.00 0.00 174.62 171.22 1s1i s GLU 251 N -4.77 3.88 0.00 7.08 0.41 -1.22 -3.02 118.70 121.06 1s1i s GLU 251 Ca 0.61 -2.62 0.00 0.00 -0.41 0.00 0.00 54.97 52.55 1s1i s GLU 251 Cb -0.17 -4.66 0.00 0.00 -1.78 0.00 0.00 34.13 27.53 1s1i s GLU 251 CO 0.52 -1.43 0.00 0.00 -0.49 0.00 0.00 175.26 173.86 1s1i n ALA 252 N 4.25 0.00 -1.32 5.21 0.00 -1.26 -4.12 120.51 123.27 1s1i n ALA 252 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 1s1i n ALA 252 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 1s1i n ALA 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i n ALA 253 N 0.00 4.49 0.44 0.00 0.00 -1.17 -4.48 120.51 119.80 1s1i n ALA 253 Ca 0.00 -3.40 -0.19 0.00 0.00 0.00 0.00 53.44 49.86 1s1i n ALA 253 Cb 0.00 -3.53 -0.09 0.00 0.00 0.00 0.00 19.45 15.83 1s1i n ALA 253 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1s1i h PHE 254 N 6.90 -1.03 -2.13 0.00 0.04 -1.90 -3.31 116.94 115.50 1s1i h PHE 254 Ca 0.51 -0.02 0.11 0.00 2.80 0.00 0.00 57.97 61.36 1s1i h PHE 254 Cb 0.58 0.34 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 1s1i h PHE 254 CO 1.43 -0.63 0.37 2.41 -0.60 0.00 0.00 178.31 181.29 1s1i n THR 255 N -5.54 0.00 -0.11 -1.55 -1.04 -1.26 -4.89 114.28 99.89 1s1i n THR 255 Ca -0.15 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.05 61.45 1s1i n THR 255 Cb 0.45 0.46 -0.02 0.00 -1.82 0.00 0.00 70.33 69.39 1s1i n THR 255 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1s1i h LYS 256 N 0.00 0.50 0.00 -2.82 6.56 -1.88 -3.45 116.57 115.48 1s1i h LYS 256 Ca -0.16 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.32 1s1i h LYS 256 Cb 0.72 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 1s1i h LYS 256 CO 0.22 0.55 0.00 -0.11 -2.06 0.00 0.00 179.45 178.04 1s1i n LEU 257 N -4.67 0.59 0.00 2.94 7.94 -1.26 -4.05 117.00 118.50 1s1i n LEU 257 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1s1i n LEU 257 Cb 0.17 -1.13 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1s1i n LEU 257 CO 0.37 -0.39 0.00 -0.67 -1.11 0.00 0.00 177.39 175.59 1s1i n ASP 258 N -0.18 0.00 -0.71 1.96 2.03 -1.26 -4.98 116.55 113.41 1s1i n ASP 258 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 1s1i n ASP 258 Cb 0.09 0.00 0.32 0.00 -0.72 0.00 0.00 41.12 40.81 1s1i n ASP 258 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95