#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqi s LEU 29 N 0.00 0.87 0.71 1.04 0.20 0.14 -4.95 118.68 116.69 3fqi s LEU 29 Ca 0.00 -0.18 -0.12 0.00 0.69 0.00 0.00 54.13 54.52 3fqi s LEU 29 Cb 0.00 -0.61 0.02 0.00 -0.43 0.00 0.00 46.19 45.17 3fqi s LEU 29 CO 0.00 -0.16 1.08 -0.13 -0.29 0.00 0.00 176.35 176.86 3fqi s ARG 30 N 1.81 2.68 0.00 1.98 0.52 -1.26 0.50 118.95 125.18 3fqi s ARG 30 Ca 0.04 1.16 0.00 0.00 -0.52 0.00 0.00 55.73 56.42 3fqi s ARG 30 Cb -0.12 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.40 3fqi s ARG 30 CO -0.06 -1.32 0.01 2.41 0.02 0.00 0.00 175.30 176.36 3fqi n THR 31 N -3.00 0.00 -1.85 0.02 -1.04 -1.26 -4.82 114.28 102.32 3fqi n THR 31 Ca 0.09 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.05 61.36 3fqi n THR 31 Cb 0.53 1.01 -0.00 0.00 -1.82 0.00 0.00 70.33 70.05 3fqi n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fqi s GLN 32 N -0.65 4.09 0.40 -2.82 0.00 -1.26 -4.16 119.66 115.26 3fqi s GLN 32 Ca 0.00 2.50 0.08 0.00 -0.00 0.00 0.00 55.36 57.94 3fqi s GLN 32 Cb 0.00 -2.94 0.85 0.00 0.00 0.00 0.00 33.01 30.92 3fqi s GLN 32 CO 0.00 -0.52 2.02 -1.35 0.00 0.00 0.00 175.29 175.44 3fqi h PRO 33 N 2.96 0.58 0.00 9.60 0.11 -1.97 -2.86 132.00 140.41 3fqi h PRO 33 Ca -0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3fqi h PRO 33 Cb 1.24 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fqi h PRO 33 CO 0.64 0.38 -0.04 0.66 -0.21 0.00 0.00 178.00 179.43 3fqi h SER 34 N 0.60 0.00 0.70 -2.05 4.64 -1.96 -0.35 113.55 115.13 3fqi h SER 34 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3fqi h SER 34 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3fqi h SER 34 CO -0.06 0.04 0.00 -0.07 -0.87 0.00 0.00 176.83 175.87 3fqi h LEU 35 N 0.00 0.00 -2.92 5.97 3.38 -1.89 -3.28 115.31 116.57 3fqi h LEU 35 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fqi h LEU 35 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3fqi h LEU 35 CO 0.01 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.32 3fqi n TYR 36 N -2.95 0.00 -1.97 1.13 4.02 -0.16 -5.00 117.16 112.22 3fqi n TYR 36 Ca -0.00 -0.48 -0.35 0.00 -0.01 0.00 0.00 57.90 57.06 3fqi n TYR 36 Cb 0.23 -0.05 0.03 0.00 -0.02 0.00 0.00 39.34 39.54 3fqi n TYR 36 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3fqi s SER 37 N -0.96 5.20 0.00 7.72 0.01 -1.08 -4.01 113.70 120.58 3fqi s SER 37 Ca 0.00 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.54 3fqi s SER 37 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3fqi s SER 37 CO 0.00 -1.58 0.00 0.61 0.41 0.00 0.00 173.24 172.68 3fqi n GLY 38 N 0.27 2.83 3.48 3.44 0.00 -1.26 -5.03 105.19 108.93 3fqi n GLY 38 Ca 0.13 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 3fqi n GLY 38 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fqi n PRO 39 N -1.98 0.71 -1.75 1.61 -0.04 -1.26 -4.76 135.00 127.53 3fqi n PRO 39 Ca 0.00 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.30 3fqi n PRO 39 Cb 0.00 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.88 3fqi n PRO 39 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3fqi s PHE 40 N -1.33 2.47 0.90 0.54 2.19 -1.26 -4.94 117.98 116.55 3fqi s PHE 40 Ca 0.62 0.16 -0.13 0.00 0.33 0.00 0.00 56.93 57.91 3fqi s PHE 40 Cb -0.65 -4.13 0.13 0.00 -1.31 0.00 0.00 43.02 37.05 3fqi s PHE 40 CO 0.58 -4.52 1.18 -1.25 1.83 0.00 0.00 175.22 173.04 3fqi s PRO 41 N 2.13 1.25 -0.08 10.12 0.04 -1.26 -4.97 135.00 142.23 3fqi s PRO 41 Ca 0.78 0.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.62 3fqi s PRO 41 Cb -0.47 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 3fqi s PRO 41 CO 0.34 -2.08 1.29 0.12 0.04 0.00 0.00 177.00 176.71 3fqi s PHE 42 N -3.47 2.92 -0.21 0.56 5.36 -1.26 -4.93 117.98 116.96 3fqi s PHE 42 Ca 0.65 0.99 0.01 0.00 -0.96 0.00 0.00 56.93 57.62 3fqi s PHE 42 Cb -0.12 -3.53 0.05 0.00 -0.34 0.00 0.00 43.02 39.08 3fqi s PHE 42 CO 0.52 -1.85 -0.08 -0.47 -1.46 0.00 0.00 175.22 171.88 3fqi s TYR 43 N 2.80 2.34 0.31 10.12 5.04 -1.26 0.20 117.35 136.91 3fqi s TYR 43 Ca 0.58 -1.61 -0.29 0.00 -2.44 0.00 0.00 57.07 53.32 3fqi s TYR 43 Cb -0.26 -1.59 -0.10 0.00 0.35 0.00 0.00 41.96 40.36 3fqi s TYR 43 CO 0.21 -0.74 1.39 0.50 -1.34 0.00 0.00 175.55 175.57 3fqi s ARG 44 N 1.42 4.27 -0.22 4.97 3.52 -0.16 -4.92 118.95 127.83 3fqi s ARG 44 Ca -0.03 2.32 -0.37 0.00 -0.13 0.00 0.00 55.73 57.53 3fqi s ARG 44 Cb -0.17 -3.06 -0.13 0.00 -1.56 0.00 0.00 34.95 30.02 3fqi s ARG 44 CO -0.07 -0.34 1.87 -2.13 -0.81 0.00 0.00 175.30 173.82 3fqi n ARG 45 N 1.28 1.56 -2.19 5.12 0.63 -1.26 -4.49 116.66 117.31 3fqi n ARG 45 Ca 0.03 0.56 -0.39 0.00 -0.92 0.00 0.00 57.85 57.12 3fqi n ARG 45 Cb 0.41 -2.38 -0.02 0.00 0.45 0.00 0.00 32.46 30.92 3fqi n ARG 45 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3fqi s PRO 46 N 4.21 4.17 -0.09 -0.14 0.02 -1.26 -4.88 135.00 137.03 3fqi s PRO 46 Ca 0.98 2.03 0.03 0.00 0.02 0.00 0.00 61.00 64.06 3fqi s PRO 46 Cb -0.88 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 30.76 3fqi s PRO 46 CO 0.58 -0.28 -0.16 -1.12 -0.33 0.00 0.00 177.00 175.69 3fqi s SER 47 N -0.81 3.80 -0.19 2.53 0.01 -0.85 -4.71 113.70 113.48 3fqi s SER 47 Ca 0.53 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 57.18 3fqi s SER 47 Cb -0.35 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 64.68 3fqi s SER 47 CO 0.46 0.24 1.00 -0.70 0.41 0.00 0.00 173.24 174.65 3fqi s GLU 48 N -0.12 4.30 0.14 12.44 2.12 -1.26 -0.57 118.70 135.76 3fqi s GLU 48 Ca -0.02 1.31 0.23 0.00 0.36 0.00 0.00 54.97 56.84 3fqi s GLU 48 Cb -0.14 -3.61 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 3fqi s GLU 48 CO 0.04 -0.50 0.97 1.28 -0.54 0.00 0.00 175.26 176.50 3fqi n LEU 49 N 5.82 0.68 0.00 2.70 4.77 0.18 -4.97 117.00 126.18 3fqi n LEU 49 Ca 0.10 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3fqi n LEU 49 Cb 0.47 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3fqi n LEU 49 CO 0.51 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3fqi n GLY 50 N 1.22 -0.52 3.62 -0.72 0.00 -1.15 -5.01 105.19 102.64 3fqi n GLY 50 Ca -0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 3fqi n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fqi s PHE 52 N -3.50 -0.04 0.06 0.00 -0.12 -0.36 -4.16 117.98 109.85 3fqi s PHE 52 Ca 0.07 -0.31 0.08 0.00 -0.05 0.00 0.00 56.93 56.72 3fqi s PHE 52 Cb -0.02 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.45 3fqi s PHE 52 CO -0.04 -0.62 -0.23 -1.12 -0.05 0.00 0.00 175.22 173.17 3fqi s SER 53 N -2.77 2.75 -0.13 1.98 0.01 0.52 -0.86 113.70 115.20 3fqi s SER 53 Ca 0.03 -0.58 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 3fqi s SER 53 Cb 0.03 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 3fqi s SER 53 CO -0.11 0.18 -0.06 -0.76 0.41 0.00 0.00 173.24 172.90 3fqi s LEU 54 N -1.34 3.11 0.00 2.44 1.43 -0.11 -0.40 118.68 123.81 3fqi s LEU 54 Ca 0.09 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 3fqi s LEU 54 Cb -0.09 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3fqi s LEU 54 CO 0.02 0.20 0.15 -0.90 0.23 0.00 0.00 176.35 176.06 3fqi n ASP 55 N 3.30 0.15 0.19 2.29 5.68 -0.62 -1.75 116.55 125.79 3fqi n ASP 55 Ca -0.18 -1.14 0.13 0.00 -0.50 0.00 0.00 54.79 53.10 3fqi n ASP 55 Cb 0.53 -0.10 0.66 0.00 -1.14 0.00 0.00 41.12 41.06 3fqi n ASP 55 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fqi h ALA 56 N -0.82 1.00 -0.38 2.12 0.00 -1.91 0.17 119.26 119.46 3fqi h ALA 56 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fqi h ALA 56 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3fqi h ALA 56 CO 0.05 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.34 3fqi n GLN 57 N -2.40 2.99 -1.64 0.00 6.02 -1.26 -4.77 117.38 116.31 3fqi n GLN 57 Ca -0.01 -2.39 -0.15 0.00 -0.01 0.00 0.00 57.00 54.44 3fqi n GLN 57 Cb 0.08 -1.51 -0.05 0.00 1.02 0.00 0.00 30.24 29.78 3fqi n GLN 57 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3fqi n ARG 58 N 0.36 -1.09 -2.99 -1.09 3.00 0.60 -4.99 116.66 110.46 3fqi n ARG 58 Ca 0.16 0.96 -0.40 0.00 -0.00 0.00 0.00 57.85 58.58 3fqi n ARG 58 Cb 0.61 -5.15 -0.06 0.00 0.00 0.00 0.00 32.46 27.87 3fqi n ARG 58 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3fqi s GLN 59 N -3.63 4.52 0.17 -0.14 -1.52 -1.26 -4.73 119.66 113.08 3fqi s GLN 59 Ca 0.00 1.11 -0.30 0.00 -1.95 0.00 0.00 55.36 54.22 3fqi s GLN 59 Cb 0.00 -3.30 -0.07 0.00 -0.22 0.00 0.00 33.01 29.41 3fqi s GLN 59 CO 0.00 0.46 1.07 -0.47 -0.25 0.00 0.00 175.29 176.10 3fqi s TYR 60 N -0.70 3.65 -0.05 0.91 6.14 -1.26 -1.59 117.35 124.45 3fqi s TYR 60 Ca 0.37 1.65 0.00 0.00 0.64 0.00 0.00 57.07 59.73 3fqi s TYR 60 Cb -0.22 -3.23 0.02 0.00 0.42 0.00 0.00 41.96 38.96 3fqi s TYR 60 CO 0.25 -0.43 -0.03 -1.01 0.64 0.00 0.00 175.55 174.97 3fqi s HIS 61 N -0.28 0.66 0.00 4.97 3.76 0.46 -4.99 115.29 119.88 3fqi s HIS 61 Ca 0.48 -0.17 -0.03 0.00 -0.15 0.00 0.00 55.06 55.19 3fqi s HIS 61 Cb -0.28 -0.66 -0.15 0.00 1.11 0.00 0.00 32.58 32.60 3fqi s HIS 61 CO 0.34 -0.22 2.71 0.41 -0.85 0.00 0.00 174.74 177.13 3fqi n GLY 62 N 4.36 2.60 0.00 -2.22 0.00 -1.26 -0.35 105.19 108.32 3fqi n GLY 62 Ca -0.20 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3fqi n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fqi n ASP 63 N 2.15 0.00 -1.71 1.61 9.92 -1.26 -4.87 116.55 122.39 3fqi n ASP 63 Ca 0.23 -0.93 -0.04 0.00 -0.53 0.00 0.00 54.79 53.52 3fqi n ASP 63 Cb 0.68 0.00 0.28 0.00 -0.64 0.00 0.00 41.12 41.43 3fqi n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fqi n ALA 64 N -3.00 4.35 0.18 2.24 0.00 -1.26 -2.80 120.51 120.21 3fqi n ALA 64 Ca 0.00 -2.50 0.16 0.00 0.00 0.00 0.00 53.44 51.10 3fqi n ALA 64 Cb 0.00 -1.10 0.77 0.00 0.00 0.00 0.00 19.45 19.12 3fqi n ALA 64 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3fqi h ARG 65 N 2.18 0.00 0.00 0.00 0.11 -1.95 -1.33 114.38 113.39 3fqi h ARG 65 Ca 0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 3fqi h ARG 65 Cb 2.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.21 3fqi h ARG 65 CO 0.63 0.00 -0.37 0.00 0.10 0.00 0.00 179.97 180.33 3fqi n ALA 66 N -2.44 3.06 -2.04 0.08 0.00 -1.26 -4.89 120.51 113.02 3fqi n ALA 66 Ca 0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 3fqi n ALA 66 Cb 0.32 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 3fqi n ALA 66 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3fqi s LEU 67 N -3.29 4.34 0.42 0.00 2.96 -0.50 -4.63 118.68 117.98 3fqi s LEU 67 Ca 0.11 2.34 0.08 0.00 -0.22 0.00 0.00 54.13 56.44 3fqi s LEU 67 Cb 0.17 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.29 3fqi s LEU 67 CO 0.65 -0.83 0.46 -0.13 -1.32 0.00 0.00 176.35 175.19 3fqi s ARG 68 N 2.62 2.66 -0.14 1.98 0.52 -1.26 -4.92 118.95 120.41 3fqi s ARG 68 Ca 0.70 -1.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.53 3fqi s ARG 68 Cb -0.36 -2.54 0.01 0.00 0.52 0.00 0.00 34.95 32.57 3fqi s ARG 68 CO 0.30 -0.23 -0.22 0.71 0.02 0.00 0.00 175.30 175.88 3fqi s TYR 69 N -2.42 2.66 -0.11 -0.53 1.51 0.12 -1.41 117.35 117.17 3fqi s TYR 69 Ca 0.51 -1.30 -0.31 0.00 -1.01 0.00 0.00 57.07 54.96 3fqi s TYR 69 Cb -0.06 -1.81 -0.09 0.00 -0.11 0.00 0.00 41.96 39.90 3fqi s TYR 69 CO 0.30 -0.59 2.06 0.98 -1.11 0.00 0.00 175.55 177.19 3fqi n TYR 70 N 4.01 2.22 -3.39 2.71 9.36 -0.38 -0.98 117.16 130.70 3fqi n TYR 70 Ca -0.20 -0.16 -0.26 0.00 3.32 0.00 0.00 57.90 60.60 3fqi n TYR 70 Cb 0.52 -2.73 -0.09 0.00 -0.63 0.00 0.00 39.34 36.41 3fqi n TYR 70 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3fqi n SER 71 N 8.91 0.24 -4.77 2.98 2.88 0.12 -4.68 113.62 119.30 3fqi n SER 71 Ca 0.26 -2.59 -0.31 0.00 -1.33 0.00 0.00 58.87 54.89 3fqi n SER 71 Cb 0.38 -0.60 0.08 0.00 -0.75 0.00 0.00 64.21 63.32 3fqi n SER 71 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3fqi s PRO 72 N -0.53 2.41 0.10 -1.46 0.04 -1.26 -4.42 135.00 129.89 3fqi s PRO 72 Ca 0.33 1.17 -0.19 0.00 0.04 0.00 0.00 61.00 62.36 3fqi s PRO 72 Cb 0.07 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 3fqi s PRO 72 CO -0.17 -1.52 0.97 -2.30 0.04 0.00 0.00 177.00 174.02 3fqi n PRO 73 N -3.32 -0.27 -0.19 0.56 -0.02 -1.26 -5.11 135.00 125.40 3fqi n PRO 73 Ca 0.09 0.95 0.03 0.00 -2.02 0.00 0.00 63.50 62.54 3fqi n PRO 73 Cb 0.53 -1.39 0.10 0.00 -0.02 0.00 0.00 33.50 32.72 3fqi n PRO 73 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3fqi n PRO 74 N -4.79 1.83 -3.89 0.52 -0.04 -1.26 -5.12 135.00 122.24 3fqi n PRO 74 Ca 0.02 -0.83 -0.11 0.00 -0.04 0.00 0.00 63.50 62.53 3fqi n PRO 74 Cb 0.17 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.04 3fqi n PRO 74 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3fqi s PRO 80 N -1.60 0.16 -0.40 0.54 0.04 -1.26 -5.20 135.00 127.29 3fqi s PRO 80 Ca 0.15 -0.16 0.10 0.00 0.04 0.00 0.00 61.00 61.13 3fqi s PRO 80 Cb 0.10 0.06 0.34 0.00 0.04 0.00 0.00 34.50 35.04 3fqi s PRO 80 CO 0.07 -0.03 0.82 -3.47 0.04 0.00 0.00 177.00 174.43 3fqi n ASP 81 N 2.52 -0.09 -4.65 6.66 2.03 -1.20 -4.17 116.55 117.65 3fqi n ASP 81 Ca -0.16 -3.18 -0.38 0.00 0.52 0.00 0.00 54.79 51.59 3fqi n ASP 81 Cb 0.58 0.08 -0.09 0.00 -0.72 0.00 0.00 41.12 40.98 3fqi n ASP 81 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3fqi s PHE 82 N -1.62 3.33 -0.69 -0.67 2.99 -0.64 -4.91 117.98 115.77 3fqi s PHE 82 Ca 0.35 0.40 -0.19 0.00 0.00 0.00 0.00 56.93 57.49 3fqi s PHE 82 Cb 0.32 -2.41 0.11 0.00 0.00 0.00 0.00 43.02 41.04 3fqi s PHE 82 CO -0.08 -0.01 0.85 0.34 -0.00 0.00 0.00 175.22 176.33 3fqi s ASP 83 N 1.15 6.30 0.00 1.36 2.15 -1.26 -0.21 116.67 126.16 3fqi s ASP 83 Ca 0.13 -1.53 0.19 0.00 0.43 0.00 0.00 52.55 51.77 3fqi s ASP 83 Cb -0.14 -2.34 0.83 0.00 -0.30 0.00 0.00 42.92 40.96 3fqi s ASP 83 CO 0.07 -1.15 1.59 0.18 -0.17 0.00 0.00 175.17 175.69 3fqi n LEU 84 N 6.55 0.00 0.11 -1.34 4.77 -0.43 -2.26 117.00 124.40 3fqi n LEU 84 Ca -0.00 0.45 0.12 0.00 -0.03 0.00 0.00 56.01 56.55 3fqi n LEU 84 Cb 0.45 -0.45 0.12 0.00 -2.33 0.00 0.00 43.42 41.20 3fqi n LEU 84 CO 0.57 -0.17 0.34 0.03 -1.33 0.00 0.00 177.39 176.83 3fqi h ARG 85 N 0.00 0.00 -6.36 3.23 3.08 -1.91 -3.38 114.38 109.04 3fqi h ARG 85 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3fqi h ARG 85 Cb 0.29 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.38 3fqi h ARG 85 CO 0.00 0.00 0.87 -3.47 -1.07 0.00 0.00 179.97 176.30 3fqi n ASP 86 N -2.55 2.98 0.00 7.04 -0.08 -0.96 -2.00 116.55 120.97 3fqi n ASP 86 Ca 0.02 1.05 0.00 0.00 -1.51 0.00 0.00 54.79 54.35 3fqi n ASP 86 Cb 0.50 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.61 3fqi n ASP 86 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3fqi n GLY 87 N 3.73 1.12 3.68 0.27 0.00 -1.26 -5.03 105.19 107.71 3fqi n GLY 87 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3fqi n GLY 87 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fqi s TYR 88 N -2.61 3.38 -0.41 1.61 5.04 -0.85 -0.66 117.35 122.84 3fqi s TYR 88 Ca 0.00 0.45 -0.04 0.00 -2.44 0.00 0.00 57.07 55.03 3fqi s TYR 88 Cb 0.00 -2.36 0.11 0.00 0.35 0.00 0.00 41.96 40.05 3fqi s TYR 88 CO 0.00 0.10 0.22 -1.25 -1.34 0.00 0.00 175.55 173.28 3fqi s PRO 89 N 0.95 2.14 0.00 4.97 0.04 -1.26 -4.98 135.00 136.85 3fqi s PRO 89 Ca 0.13 -1.76 0.00 0.00 0.04 0.00 0.00 61.00 59.41 3fqi s PRO 89 Cb -0.14 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.77 3fqi s PRO 89 CO 0.05 -1.07 0.00 -0.25 0.04 0.00 0.00 177.00 175.77 3fqi n ASP 90 N 4.67 0.00 -2.52 6.66 10.43 -0.68 -4.87 116.55 130.23 3fqi n ASP 90 Ca -0.04 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 57.01 3fqi n ASP 90 Cb 0.41 0.00 0.02 0.00 1.84 0.00 0.00 41.12 43.40 3fqi n ASP 90 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3fqi n ARG 91 N -0.38 3.19 -3.86 -1.24 1.74 0.16 -4.96 116.66 111.32 3fqi n ARG 91 Ca 0.00 -4.05 -0.26 0.00 -0.77 0.00 0.00 57.85 52.78 3fqi n ARG 91 Cb 0.00 -2.26 -0.17 0.00 -1.02 0.00 0.00 32.46 29.00 3fqi n ARG 91 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3fqi s TYR 92 N -3.73 1.23 -0.60 -1.55 5.04 -1.25 -1.24 117.35 115.25 3fqi s TYR 92 Ca 0.51 -0.59 0.03 0.00 -2.44 0.00 0.00 57.07 54.59 3fqi s TYR 92 Cb 0.42 -1.10 0.15 0.00 0.35 0.00 0.00 41.96 41.78 3fqi s TYR 92 CO -0.20 -0.47 0.37 -0.65 -1.34 0.00 0.00 175.55 173.26 3fqi s GLN 93 N 1.79 2.25 0.31 4.97 -0.21 0.27 -4.99 119.66 124.06 3fqi s GLN 93 Ca 0.05 -2.81 -0.27 0.00 0.02 0.00 0.00 55.36 52.34 3fqi s GLN 93 Cb -0.13 -3.44 -0.09 0.00 1.00 0.00 0.00 33.01 30.35 3fqi s GLN 93 CO -0.07 -1.17 0.99 -1.25 -2.12 0.00 0.00 175.29 171.67 3fqi s PRO 94 N -0.58 4.58 0.42 2.91 0.04 -1.26 -1.69 135.00 139.41 3fqi s PRO 94 Ca 0.19 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.45 3fqi s PRO 94 Cb -0.19 -2.92 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 3fqi s PRO 94 CO -0.05 0.25 1.37 -2.13 0.04 0.00 0.00 177.00 176.47 3fqi n ARG 95 N 0.75 2.18 -2.36 4.56 0.63 -1.26 -4.87 116.66 116.29 3fqi n ARG 95 Ca 0.01 0.77 -0.40 0.00 -0.92 0.00 0.00 57.85 57.31 3fqi n ARG 95 Cb 0.48 -2.51 -0.03 0.00 0.45 0.00 0.00 32.46 30.85 3fqi n ARG 95 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3fqi s ASP 96 N -0.43 5.85 0.00 6.15 2.15 -1.26 -4.87 116.67 124.25 3fqi s ASP 96 Ca 0.59 -0.14 0.17 0.00 0.43 0.00 0.00 52.55 53.60 3fqi s ASP 96 Cb -0.49 -2.55 0.79 0.00 -0.30 0.00 0.00 42.92 40.38 3fqi s ASP 96 CO 0.59 -2.02 1.50 -0.62 -0.17 0.00 0.00 175.17 174.45 3fqi n GLU 97 N 9.28 0.15 0.03 4.34 1.02 -1.26 -2.72 120.64 131.48 3fqi n GLU 97 Ca 0.10 0.16 -0.05 0.00 -0.02 0.00 0.00 57.16 57.35 3fqi n GLU 97 Cb 0.50 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.58 3fqi n GLU 97 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3fqi h GLU 98 N 0.00 0.44 -6.24 3.49 4.39 -2.03 -3.41 114.58 111.21 3fqi h GLU 98 Ca 0.00 -0.21 -0.57 0.00 0.34 0.00 0.00 59.36 58.92 3fqi h GLU 98 Cb 0.20 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3fqi h GLU 98 CO 0.00 0.76 1.22 0.08 -1.16 0.00 0.00 179.01 179.91 3fqi s VAL 99 N -4.25 3.47 -0.59 3.13 1.01 -1.10 -4.94 120.40 117.13 3fqi s VAL 99 Ca -0.06 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.28 3fqi s VAL 99 Cb 0.13 -3.50 0.13 0.00 0.00 0.00 0.00 36.38 33.13 3fqi s VAL 99 CO 0.80 -0.23 0.59 -1.10 0.00 0.00 0.00 175.10 175.16 3fqi s GLN 100 N 5.05 3.07 0.45 2.72 -1.52 -1.26 -4.90 119.66 123.28 3fqi s GLN 100 Ca 0.79 -1.67 0.25 0.00 -1.95 0.00 0.00 55.36 52.79 3fqi s GLN 100 Cb -0.28 -4.31 0.62 0.00 -0.22 0.00 0.00 33.01 28.82 3fqi s GLN 100 CO 0.32 -1.40 1.71 0.93 -0.25 0.00 0.00 175.29 176.61 3fqi h GLU 101 N 8.88 0.00 0.00 2.91 5.08 -1.95 -3.48 114.58 126.02 3fqi h GLU 101 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3fqi h GLU 101 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3fqi h GLU 101 CO 1.03 0.06 0.00 0.54 -1.00 0.00 0.00 179.01 179.65 3fqi n ARG 102 N -3.13 0.00 -0.12 2.33 1.74 -1.26 -1.14 116.66 115.08 3fqi n ARG 102 Ca 0.03 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.21 3fqi n ARG 102 Cb 0.48 0.00 0.31 0.00 -1.02 0.00 0.00 32.46 32.23 3fqi n ARG 102 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fqi n LEU 103 N 0.00 2.24 -0.27 0.55 4.77 -1.26 -4.70 117.00 118.33 3fqi n LEU 103 Ca 0.00 -0.96 0.06 0.00 -0.03 0.00 0.00 56.01 55.08 3fqi n LEU 103 Cb 0.00 -0.16 0.20 0.00 -2.33 0.00 0.00 43.42 41.13 3fqi n LEU 103 CO 0.00 0.48 1.06 0.44 -1.33 0.00 0.00 177.39 178.03 3fqi h ASP 104 N 2.92 0.40 0.17 -1.43 3.32 -1.48 -0.96 116.42 119.34 3fqi h ASP 104 Ca 0.00 0.10 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 3fqi h ASP 104 Cb 0.64 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 3fqi h ASP 104 CO 0.00 0.16 -0.72 0.45 -1.72 0.00 0.00 179.24 177.41 3fqi h HIS 105 N 0.53 0.65 -0.33 4.55 3.86 -1.84 -2.11 115.15 120.46 3fqi h HIS 105 Ca 0.43 -0.28 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3fqi h HIS 105 Cb 0.63 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 3fqi h HIS 105 CO -0.13 1.04 0.14 1.25 0.86 0.00 0.00 177.93 181.10 3fqi h LEU 106 N 0.33 0.45 -1.46 2.43 5.85 -1.71 -2.75 115.31 118.45 3fqi h LEU 106 Ca -0.03 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3fqi h LEU 106 Cb 1.30 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3fqi h LEU 106 CO 0.13 0.47 0.22 -0.07 -0.34 0.00 0.00 178.44 178.85 3fqi h LEU 107 N 0.39 0.51 -0.20 2.25 3.38 -1.11 0.91 115.31 121.44 3fqi h LEU 107 Ca 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3fqi h LEU 107 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3fqi h LEU 107 CO -0.01 0.43 0.10 -0.09 0.09 0.00 0.00 178.44 178.96 3fqi h ARG 108 N 0.59 0.29 -0.31 1.13 2.43 -1.35 0.74 114.38 117.90 3fqi h ARG 108 Ca 0.15 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3fqi h ARG 108 Cb 0.04 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 3fqi h ARG 108 CO -0.02 0.30 0.03 2.35 -1.51 0.00 0.00 179.97 181.12 3fqi h TRP 109 N 0.21 0.04 -0.67 2.20 7.01 -1.06 -0.90 115.95 122.77 3fqi h TRP 109 Ca 0.07 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.11 3fqi h TRP 109 Cb 0.10 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.15 3fqi h TRP 109 CO -0.03 -0.02 0.43 0.28 -2.79 0.00 0.00 178.44 176.31 3fqi h VAL 110 N 0.13 1.13 -0.71 2.65 2.07 -0.70 -1.41 116.25 119.42 3fqi h VAL 110 Ca 0.15 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3fqi h VAL 110 Cb 0.18 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 3fqi h VAL 110 CO -0.22 0.16 0.47 0.25 0.02 0.00 0.00 177.57 178.24 3fqi h LEU 111 N 0.87 0.83 -0.18 2.57 5.85 -0.55 0.11 115.31 124.80 3fqi h LEU 111 Ca 0.26 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3fqi h LEU 111 Cb -0.05 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.78 3fqi h LEU 111 CO -0.08 0.61 -0.06 -0.62 -0.34 0.00 0.00 178.44 177.95 3fqi n GLU 112 N -4.58 0.75 -0.09 1.25 1.02 -0.37 -3.87 120.64 114.75 3fqi n GLU 112 Ca 0.06 -0.18 0.01 0.00 -0.02 0.00 0.00 57.16 57.03 3fqi n GLU 112 Cb 0.02 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 29.96 3fqi n GLU 112 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3fqi n HIS 113 N -0.96 0.00 0.81 -0.32 8.25 -0.56 -4.82 115.22 117.61 3fqi n HIS 113 Ca 0.17 -0.23 0.01 0.00 -0.26 0.00 0.00 57.72 57.40 3fqi n HIS 113 Cb 0.24 -0.04 0.06 0.00 1.12 0.00 0.00 29.99 31.37 3fqi n HIS 113 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3fqi n ARG 114 N -0.28 0.41 -2.88 -0.41 0.00 -0.00 -1.16 116.66 112.33 3fqi n ARG 114 Ca 0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.54 3fqi n ARG 114 Cb 0.48 -1.07 -0.02 0.00 -0.00 0.00 0.00 32.46 31.85 3fqi n ARG 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3fqi n ASN 115 N -0.57 5.45 -0.88 2.89 5.03 -1.26 -5.13 115.26 120.79 3fqi n ASN 115 Ca 0.01 -3.66 -0.03 0.00 0.87 0.00 0.00 54.58 51.78 3fqi n ASN 115 Cb 0.01 -0.79 -0.03 0.00 -1.02 0.00 0.00 39.78 37.94 3fqi n ASN 115 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 3fqi n GLN 116 N -0.05 0.00 -2.17 3.52 7.27 -0.31 -5.21 117.38 120.43 3fqi n GLN 116 Ca 0.36 -0.86 -0.42 0.00 0.07 0.00 0.00 57.00 56.15 3fqi n GLN 116 Cb 0.35 0.19 -0.00 0.00 2.41 0.00 0.00 30.24 33.19 3fqi n GLN 116 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3fqi n GLY 122 N 0.07 3.44 0.15 1.69 0.00 -1.26 -5.06 105.19 104.23 3fqi n GLY 122 Ca -0.12 -1.52 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 3fqi n GLY 122 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3fqi h TRP 123 N 6.84 0.25 -1.00 1.61 7.01 -2.02 -2.67 115.95 125.97 3fqi h TRP 123 Ca 0.51 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.62 3fqi h TRP 123 Cb 0.76 -0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.68 3fqi h TRP 123 CO 1.44 0.12 0.64 1.25 -2.79 0.00 0.00 178.44 179.10 3fqi h LEU 124 N 0.29 0.96 -2.32 0.65 5.85 -1.97 -2.38 115.31 116.40 3fqi h LEU 124 Ca 0.15 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3fqi h LEU 124 Cb 0.10 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3fqi h LEU 124 CO -0.14 0.55 0.03 0.00 -0.34 0.00 0.00 178.44 178.55 3fqi h ALA 125 N 1.51 1.69 -0.64 1.25 0.00 -1.70 -1.01 119.26 120.37 3fqi h ALA 125 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3fqi h ALA 125 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3fqi h ALA 125 CO -0.23 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.38 3fqi n GLY 126 N -1.39 2.48 3.97 0.00 0.00 -0.91 -2.41 105.19 106.94 3fqi n GLY 126 Ca -0.02 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 3fqi n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fqi s ALA 127 N -1.03 4.21 -0.12 4.61 0.00 -0.38 -4.29 121.76 124.76 3fqi s ALA 127 Ca 0.43 -1.53 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 3fqi s ALA 127 Cb 0.23 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 3fqi s ALA 127 CO 0.30 -0.07 -0.11 0.99 0.00 0.00 0.00 175.76 176.87 3fqi s THR 128 N -2.23 3.25 -0.16 0.00 2.01 -0.72 -1.60 115.64 116.20 3fqi s THR 128 Ca 0.46 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.86 3fqi s THR 128 Cb -0.09 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.06 3fqi s THR 128 CO 0.31 0.53 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.92 3fqi s VAL 129 N 0.16 2.63 0.33 3.82 1.01 0.55 -1.18 120.40 127.72 3fqi s VAL 129 Ca -0.06 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 3fqi s VAL 129 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.15 3fqi s VAL 129 CO 0.04 0.51 0.58 0.41 0.00 0.00 0.00 175.10 176.65 3fqi n THR 130 N 4.19 0.00 -3.17 3.92 -1.04 -0.95 -1.47 114.28 115.75 3fqi n THR 130 Ca -0.19 -1.19 -0.35 0.00 -2.04 0.00 0.00 64.05 60.28 3fqi n THR 130 Cb 0.51 0.92 -0.06 0.00 -1.82 0.00 0.00 70.33 69.89 3fqi n THR 130 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 3fqi s TRP 131 N -3.05 3.58 0.25 -1.42 0.52 -1.26 -2.91 118.94 114.65 3fqi s TRP 131 Ca 0.19 1.27 -0.06 0.00 0.02 0.00 0.00 56.10 57.52 3fqi s TRP 131 Cb -0.03 -2.54 0.47 0.00 -1.15 0.00 0.00 33.47 30.23 3fqi s TRP 131 CO 0.14 0.31 1.63 -0.09 0.02 0.00 0.00 176.95 178.96 3fqi h ARG 132 N 3.21 0.10 -0.55 4.98 1.12 -0.55 -2.09 114.38 120.61 3fqi h ARG 132 Ca -0.48 -0.01 0.06 0.00 -1.11 0.00 0.00 59.98 58.45 3fqi h ARG 132 Cb 1.19 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 31.09 3fqi h ARG 132 CO 0.65 0.06 0.37 0.78 -3.11 0.00 0.00 179.97 178.73 3fqi h GLY 133 N 0.10 0.63 0.88 2.80 0.00 -1.95 -0.71 103.07 104.82 3fqi h GLY 133 Ca 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3fqi h GLY 133 CO -0.69 0.15 0.07 0.45 0.00 0.00 0.00 176.54 176.52 3fqi h HIS 134 N 0.50 0.31 -0.36 5.60 3.86 -1.78 -2.23 115.15 121.05 3fqi h HIS 134 Ca 0.24 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 3fqi h HIS 134 Cb 0.30 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 3fqi h HIS 134 CO -0.00 0.37 0.11 -0.07 0.86 0.00 0.00 177.93 179.20 3fqi h LEU 135 N 0.16 0.46 -0.44 2.43 3.38 -1.19 -2.35 115.31 117.77 3fqi h LEU 135 Ca 0.07 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3fqi h LEU 135 Cb 0.20 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3fqi h LEU 135 CO -0.00 0.45 0.25 0.74 0.09 0.00 0.00 178.44 179.97 3fqi h THR 136 N 0.51 1.03 -0.13 0.22 2.02 -0.83 -0.81 112.91 114.91 3fqi h THR 136 Ca 0.12 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3fqi h THR 136 Cb 0.16 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3fqi h THR 136 CO -0.01 0.09 -0.07 0.11 0.37 0.00 0.00 175.52 176.01 3fqi h LYS 137 N 0.50 0.20 0.09 6.66 1.57 -0.88 -1.05 116.57 123.66 3fqi h LYS 137 Ca 0.18 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3fqi h LYS 137 Cb 0.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3fqi h LYS 137 CO -0.09 0.29 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.96 3fqi h LEU 138 N 0.19 -0.10 -0.84 2.94 3.38 -1.21 -2.74 115.31 116.94 3fqi h LEU 138 Ca 0.04 -0.37 0.20 0.00 0.09 0.00 0.00 57.88 57.85 3fqi h LEU 138 Cb 0.26 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.92 3fqi h LEU 138 CO 0.01 0.33 0.29 -0.07 0.09 0.00 0.00 178.44 179.09 3fqi h LEU 139 N -0.56 0.15 -0.02 1.67 3.38 -0.55 -1.87 115.31 117.50 3fqi h LEU 139 Ca -0.01 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3fqi h LEU 139 Cb 0.46 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3fqi h LEU 139 CO 0.02 -0.04 -0.31 0.35 0.09 0.00 0.00 178.44 178.55 3fqi n THR 140 N -5.12 0.00 -0.12 0.22 -2.24 -0.45 -4.41 114.28 102.16 3fqi n THR 140 Ca 0.19 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.91 3fqi n THR 140 Cb 0.59 -0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.82 3fqi n THR 140 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3fqi h THR 141 N 0.06 0.43 -0.09 4.28 2.02 -1.01 -0.88 112.91 117.71 3fqi h THR 141 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3fqi h THR 141 Cb 0.49 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3fqi h THR 141 CO 0.00 0.00 0.24 -0.65 0.37 0.00 0.00 175.52 175.48 3fqi h PRO 142 N -0.11 0.00 -0.01 6.66 0.11 -1.77 -2.16 132.00 134.72 3fqi h PRO 142 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3fqi h PRO 142 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3fqi h PRO 142 CO -0.48 0.00 -0.10 0.66 -0.21 0.00 0.00 178.00 177.87 3fqi n TYR 143 N -3.24 0.00 -2.84 0.65 4.01 -0.44 -4.32 117.16 110.98 3fqi n TYR 143 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3fqi n TYR 143 Cb 0.33 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.32 3fqi n TYR 143 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3fqi s GLU 144 N -1.09 4.34 0.00 -0.72 2.56 -0.60 -4.93 118.70 118.25 3fqi s GLU 144 Ca 0.10 1.11 0.02 0.00 0.00 0.00 0.00 54.97 56.20 3fqi s GLU 144 Cb 0.08 -3.56 0.02 0.00 2.00 0.00 0.00 34.13 32.67 3fqi s GLU 144 CO 0.19 -0.31 0.62 0.54 -0.56 0.00 0.00 175.26 175.74 3fqi n ARG 145 N 5.12 -0.30 0.00 4.30 1.74 -1.26 -4.62 116.66 121.64 3fqi n ARG 145 Ca 0.05 -0.74 0.00 0.00 -0.77 0.00 0.00 57.85 56.40 3fqi n ARG 145 Cb 0.49 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 3fqi n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fqi n GLN 146 N 0.08 0.00 -3.76 5.56 10.64 -1.26 -4.89 117.38 123.75 3fqi n GLN 146 Ca 0.01 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.82 3fqi n GLN 146 Cb 0.08 -0.62 -0.13 0.00 -0.86 0.00 0.00 30.24 28.71 3fqi n GLN 146 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3fqi s GLU 147 N -1.89 3.33 0.93 2.61 2.02 -1.26 -4.93 118.70 119.51 3fqi s GLU 147 Ca 0.00 -0.70 -0.15 0.00 0.02 0.00 0.00 54.97 54.15 3fqi s GLU 147 Cb 0.00 -3.34 0.18 0.00 0.10 0.00 0.00 34.13 31.07 3fqi s GLU 147 CO 0.00 -0.33 1.29 0.20 0.02 0.00 0.00 175.26 176.43 3fqi s GLY 148 N 1.55 1.76 0.23 -1.39 0.00 -1.26 -4.77 107.32 103.43 3fqi s GLY 148 Ca 0.04 -1.16 -0.12 0.00 0.00 0.00 0.00 44.72 43.48 3fqi s GLY 148 CO 0.03 -0.44 0.45 0.66 0.00 0.00 0.00 173.10 173.79 3fqi s TRP 149 N -3.81 0.35 -0.01 1.90 1.48 0.01 -4.99 118.94 113.87 3fqi s TRP 149 Ca 0.72 -0.71 0.00 0.00 -1.06 0.00 0.00 56.10 55.06 3fqi s TRP 149 Cb -0.05 0.15 0.01 0.00 -1.16 0.00 0.00 33.47 32.43 3fqi s TRP 149 CO 0.52 -0.94 0.00 -0.65 -4.06 0.00 0.00 176.95 171.82 3fqi s GLN 150 N -4.00 0.08 -0.11 3.25 -0.21 -1.25 -0.75 119.66 116.67 3fqi s GLN 150 Ca 0.21 0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.66 3fqi s GLN 150 Cb 0.00 -0.20 0.02 0.00 1.00 0.00 0.00 33.01 33.83 3fqi s GLN 150 CO 0.07 -0.07 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.54 3fqi s LEU 151 N 0.51 1.58 -0.05 2.90 1.43 0.64 -0.81 118.68 124.88 3fqi s LEU 151 Ca -0.04 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.41 3fqi s LEU 151 Cb -0.07 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 3fqi s LEU 151 CO -0.01 -0.02 0.85 0.00 0.23 0.00 0.00 176.35 177.40 3fqi s ALA 152 N 1.15 3.28 -0.09 4.21 0.00 0.29 -0.21 121.76 130.39 3fqi s ALA 152 Ca -0.04 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.25 3fqi s ALA 152 Cb -0.14 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 3fqi s ALA 152 CO -0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 175.76 175.35 3fqi s ALA 153 N 1.11 2.66 -0.02 0.00 0.00 0.29 -0.76 121.76 125.03 3fqi s ALA 153 Ca 0.45 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3fqi s ALA 153 Cb -0.19 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 21.84 3fqi s ALA 153 CO 0.22 0.39 0.02 -1.12 0.00 0.00 0.00 175.76 175.27 3fqi s SER 154 N -0.14 0.24 -0.10 0.00 0.01 -0.80 -0.85 113.70 112.06 3fqi s SER 154 Ca -0.01 0.02 -0.17 0.00 1.31 0.00 0.00 55.95 57.10 3fqi s SER 154 Cb -0.13 -0.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 3fqi s SER 154 CO 0.03 -0.13 0.44 -0.60 0.41 0.00 0.00 173.24 173.40 3fqi s ARG 155 N 1.12 4.26 -0.11 12.44 3.52 -1.26 -1.06 118.95 137.86 3fqi s ARG 155 Ca -0.08 0.40 -0.04 0.00 -0.13 0.00 0.00 55.73 55.87 3fqi s ARG 155 Cb -0.13 -3.39 0.06 0.00 -1.56 0.00 0.00 34.95 29.92 3fqi s ARG 155 CO -0.03 0.27 0.22 0.12 -0.81 0.00 0.00 175.30 175.07 3fqi s PHE 156 N 0.28 -0.33 -0.92 5.12 5.36 -0.38 -0.41 117.98 126.71 3fqi s PHE 156 Ca 0.24 0.82 -0.26 0.00 -0.96 0.00 0.00 56.93 56.77 3fqi s PHE 156 Cb -0.15 -0.13 0.04 0.00 -0.34 0.00 0.00 43.02 42.44 3fqi s PHE 156 CO 0.10 -0.32 0.52 0.00 -1.46 0.00 0.00 175.22 174.06 3fqi n GLN 157 N 5.34 -0.42 0.00 10.12 10.64 -1.26 -2.67 117.38 139.13 3fqi n GLN 157 Ca -0.05 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 3fqi n GLN 157 Cb 0.50 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 28.24 3fqi n GLN 157 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3fqi n GLY 158 N -1.82 2.03 3.73 2.61 0.00 -1.26 -4.51 105.19 105.96 3fqi n GLY 158 Ca -0.09 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3fqi n GLY 158 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fqi n THR 159 N 0.00 0.78 -3.40 2.61 -1.04 -1.01 -4.73 114.28 107.48 3fqi n THR 159 Ca 0.00 -0.19 -0.38 0.00 -2.04 0.00 0.00 64.05 61.43 3fqi n THR 159 Cb 0.00 -1.92 -0.08 0.00 -1.82 0.00 0.00 70.33 66.51 3fqi n THR 159 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3fqi s LEU 160 N -0.06 4.10 -0.13 -4.42 2.96 -0.63 -1.25 118.68 119.27 3fqi s LEU 160 Ca 0.67 0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 54.96 3fqi s LEU 160 Cb -0.51 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 3fqi s LEU 160 CO 0.45 -0.12 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.03 3fqi s TYR 161 N 1.61 3.07 -0.10 5.38 1.51 -0.22 -0.33 117.35 128.27 3fqi s TYR 161 Ca 0.17 -0.08 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 3fqi s TYR 161 Cb -0.15 -1.89 0.01 0.00 -0.11 0.00 0.00 41.96 39.82 3fqi s TYR 161 CO 0.08 0.17 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.00 3fqi s LEU 162 N -0.13 1.86 -0.04 -1.29 1.43 -0.55 -1.90 118.68 118.07 3fqi s LEU 162 Ca 0.03 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3fqi s LEU 162 Cb -0.13 -1.17 0.03 0.00 0.03 0.00 0.00 46.19 44.95 3fqi s LEU 162 CO 0.02 0.07 0.06 -0.55 0.23 0.00 0.00 176.35 176.18 3fqi s SER 163 N 0.70 1.03 0.37 2.29 0.15 0.06 -4.46 113.70 113.85 3fqi s SER 163 Ca -0.12 0.08 -0.28 0.00 0.70 0.00 0.00 55.95 56.33 3fqi s SER 163 Cb -0.16 -0.13 -0.10 0.00 -1.71 0.00 0.00 66.02 63.92 3fqi s SER 163 CO 0.03 -0.24 1.36 -0.70 1.20 0.00 0.00 173.24 174.89 3fqi s GLU 164 N 2.06 4.15 -0.16 5.44 2.12 -1.26 -0.55 118.70 130.51 3fqi s GLU 164 Ca 0.04 2.30 -0.02 0.00 0.36 0.00 0.00 54.97 57.65 3fqi s GLU 164 Cb -0.12 -2.94 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 3fqi s GLU 164 CO -0.03 -0.39 -0.09 0.08 -0.54 0.00 0.00 175.26 174.29 3fqi s VAL 165 N -1.17 3.35 0.03 3.70 1.01 0.01 -4.84 120.40 122.49 3fqi s VAL 165 Ca 0.53 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3fqi s VAL 165 Cb -0.41 -2.45 -0.07 0.00 0.00 0.00 0.00 36.38 33.45 3fqi s VAL 165 CO 0.55 0.49 1.53 -0.70 0.00 0.00 0.00 175.10 176.97 3fqi s GLU 166 N 0.62 4.24 0.49 2.72 2.12 -1.26 -3.95 118.70 123.67 3fqi s GLU 166 Ca -0.05 2.15 -0.21 0.00 0.36 0.00 0.00 54.97 57.22 3fqi s GLU 166 Cb -0.15 -3.60 -0.08 0.00 0.26 0.00 0.00 34.13 30.57 3fqi s GLU 166 CO 0.03 -0.66 1.08 0.95 -0.54 0.00 0.00 175.26 176.12 3fqi s THR 167 N 2.56 3.50 0.28 -1.70 -4.23 -1.26 -4.81 115.64 109.98 3fqi s THR 167 Ca 0.69 0.99 0.01 0.00 -1.18 0.00 0.00 61.69 62.19 3fqi s THR 167 Cb -0.36 -3.43 0.31 0.00 1.34 0.00 0.00 72.50 70.37 3fqi s THR 167 CO 0.29 -0.15 1.64 -0.65 -0.54 0.00 0.00 174.62 175.21 3fqi h PRO 168 N 1.65 0.16 -0.58 3.99 0.11 -1.98 0.28 132.00 135.63 3fqi h PRO 168 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3fqi h PRO 168 Cb 1.24 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3fqi h PRO 168 CO 0.59 0.11 0.24 0.00 -0.21 0.00 0.00 178.00 178.73 3fqi h ALA 169 N 1.79 0.76 -0.47 -0.75 0.00 -1.99 0.35 119.26 118.94 3fqi h ALA 169 Ca 0.53 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 3fqi h ALA 169 Cb 1.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3fqi h ALA 169 CO -0.68 0.37 -0.12 0.00 0.00 0.00 0.00 179.25 178.81 3fqi h ALA 170 N 1.08 0.90 -0.80 0.00 0.00 -1.67 -1.92 119.26 116.84 3fqi h ALA 170 Ca 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3fqi h ALA 170 Cb 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3fqi h ALA 170 CO -0.02 0.63 0.48 -0.09 0.00 0.00 0.00 179.25 180.25 3fqi h ARG 171 N 0.78 1.09 -0.10 0.00 2.43 -0.11 -1.28 114.38 117.19 3fqi h ARG 171 Ca 0.13 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3fqi h ARG 171 Cb 0.64 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3fqi h ARG 171 CO 0.04 0.76 0.04 0.00 -1.51 0.00 0.00 179.97 179.31 3fqi h ALA 172 N 1.42 0.14 -0.80 2.80 0.00 -0.60 -2.71 119.26 119.50 3fqi h ALA 172 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3fqi h ALA 172 Cb -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3fqi h ALA 172 CO -0.05 -0.28 0.47 1.96 0.00 0.00 0.00 179.25 181.34 3fqi h GLN 173 N 0.02 1.10 -0.31 0.00 4.20 -1.15 -1.28 115.11 117.68 3fqi h GLN 173 Ca 0.04 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.65 3fqi h GLN 173 Cb 0.16 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3fqi h GLN 173 CO -0.00 0.79 0.16 -0.09 -0.67 0.00 0.00 178.83 179.02 3fqi h ARG 174 N 1.10 0.33 0.00 1.46 2.43 -1.18 -1.47 114.38 117.05 3fqi h ARG 174 Ca 0.29 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 3fqi h ARG 174 Cb -0.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3fqi h ARG 174 CO -0.05 0.22 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.13 3fqi h LEU 175 N 0.34 0.00 -2.85 3.80 3.38 -1.29 -3.06 115.31 115.63 3fqi h LEU 175 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3fqi h LEU 175 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fqi h LEU 175 CO -0.08 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.87 3fqi n ALA 176 N -2.38 3.31 -1.62 1.53 0.00 -0.50 -4.97 120.51 115.88 3fqi n ALA 176 Ca -0.01 -1.42 -0.45 0.00 0.00 0.00 0.00 53.44 51.56 3fqi n ALA 176 Cb 0.49 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 3fqi n ALA 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fqi n ARG 177 N 0.71 2.13 -1.56 0.00 1.74 -0.60 -4.95 116.66 114.12 3fqi n ARG 177 Ca 0.22 0.70 -0.33 0.00 -0.77 0.00 0.00 57.85 57.68 3fqi n ARG 177 Cb 0.89 -2.91 0.07 0.00 -1.02 0.00 0.00 32.46 29.49 3fqi n ARG 177 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3fqi s PRO 178 N 5.24 2.49 0.30 5.56 0.04 -1.26 -4.82 135.00 142.55 3fqi s PRO 178 Ca 0.97 1.43 0.04 0.00 0.04 0.00 0.00 61.00 63.49 3fqi s PRO 178 Cb -0.53 -1.91 0.80 0.00 0.04 0.00 0.00 34.50 32.90 3fqi s PRO 178 CO 0.44 -1.50 1.63 -1.35 0.04 0.00 0.00 177.00 176.25 3fqi h PRO 179 N -0.32 0.16 -0.33 0.56 0.11 -1.99 -1.54 132.00 128.64 3fqi h PRO 179 Ca -0.46 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3fqi h PRO 179 Cb 1.25 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3fqi h PRO 179 CO 0.52 0.10 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.25 3fqi h LEU 180 N 0.16 0.53 -0.50 2.35 3.38 -1.99 -0.97 115.31 118.27 3fqi h LEU 180 Ca 0.60 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 58.28 3fqi h LEU 180 Cb 1.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3fqi h LEU 180 CO -0.71 0.67 -0.45 0.25 0.09 0.00 0.00 178.44 178.29 3fqi h LEU 181 N 0.51 0.78 -0.60 1.67 5.85 -1.66 -1.96 115.31 119.91 3fqi h LEU 181 Ca 0.10 -0.38 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 3fqi h LEU 181 Cb 0.48 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3fqi h LEU 181 CO 0.03 1.11 -0.05 0.03 -0.34 0.00 0.00 178.44 179.22 3fqi h ARG 182 N 0.58 1.06 -0.20 1.25 3.08 -0.94 -1.64 114.38 117.58 3fqi h ARG 182 Ca 0.04 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 3fqi h ARG 182 Cb 1.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3fqi h ARG 182 CO 0.10 1.06 0.05 0.93 -1.07 0.00 0.00 179.97 181.04 3fqi h GLU 183 N 0.95 0.31 -0.60 0.04 5.08 -1.18 -2.30 114.58 116.89 3fqi h GLU 183 Ca 0.16 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3fqi h GLU 183 Cb 0.62 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 3fqi h GLU 183 CO 0.04 0.44 0.26 1.25 -1.00 0.00 0.00 179.01 179.99 3fqi h LEU 184 N 0.14 0.31 -0.23 1.33 5.85 -1.27 -0.41 115.31 121.03 3fqi h LEU 184 Ca 0.06 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3fqi h LEU 184 Cb 0.26 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3fqi h LEU 184 CO 0.00 0.19 0.11 0.24 -0.34 0.00 0.00 178.44 178.64 3fqi h MET 185 N 0.47 0.34 -0.76 1.25 2.86 -1.25 -2.24 114.93 115.60 3fqi h MET 185 Ca 0.29 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.98 3fqi h MET 185 Cb 0.30 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.83 3fqi h MET 185 CO -0.26 0.35 0.38 -0.92 1.06 0.00 0.00 176.91 177.53 3fqi h TYR 186 N 0.24 0.68 -0.88 -0.22 3.20 -1.16 -2.56 116.97 116.26 3fqi h TYR 186 Ca 0.08 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3fqi h TYR 186 Cb 0.13 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 3fqi h TYR 186 CO -0.02 0.23 0.57 0.52 -1.64 0.00 0.00 178.16 177.82 3fqi h MET 187 N 0.62 1.10 -0.55 1.82 2.86 -0.66 0.39 114.93 120.51 3fqi h MET 187 Ca 0.38 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.98 3fqi h MET 187 Cb 0.44 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3fqi h MET 187 CO -0.29 0.72 0.32 0.78 1.06 0.00 0.00 176.91 179.51 3fqi h GLY 188 N 1.13 0.78 1.31 8.32 0.00 -1.02 -1.58 103.07 112.01 3fqi h GLY 188 Ca 0.35 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 3fqi h GLY 188 CO -0.11 0.20 -0.46 -0.97 0.00 0.00 0.00 176.54 175.20 3fqi h TYR 189 N 0.64 0.90 -0.86 5.60 -1.99 -1.06 -3.20 116.97 117.01 3fqi h TYR 189 Ca 0.22 -0.29 0.02 0.00 2.00 0.00 0.00 58.73 60.68 3fqi h TYR 189 Cb 0.04 -0.18 -0.04 0.00 2.00 0.00 0.00 36.73 38.55 3fqi h TYR 189 CO -0.07 1.06 0.56 -0.22 -0.00 0.00 0.00 178.16 179.50 3fqi h LYS 190 N 0.59 1.10 -0.97 4.88 1.63 0.04 -3.03 116.57 120.80 3fqi h LYS 190 Ca 0.03 -0.07 0.22 0.00 -0.85 0.00 0.00 60.65 59.99 3fqi h LYS 190 Cb 1.02 -0.25 -0.12 0.00 -0.60 0.00 0.00 32.23 32.29 3fqi h LYS 190 CO 0.10 0.73 0.55 0.35 -3.45 0.00 0.00 179.45 177.73 3fqi h PHE 191 N 1.14 0.95 -0.97 1.91 3.57 -1.28 0.87 116.94 123.12 3fqi h PHE 191 Ca 0.32 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.91 3fqi h PHE 191 Cb -0.09 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.31 3fqi h PHE 191 CO -0.01 0.10 0.63 0.93 -2.23 0.00 0.00 178.31 177.72 3fqi h GLU 192 N 0.60 1.13 0.00 1.11 5.08 -1.66 -2.36 114.58 118.49 3fqi h GLU 192 Ca 0.60 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.88 3fqi h GLU 192 Cb 1.08 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 3fqi h GLU 192 CO -0.45 0.75 -0.08 1.96 -1.00 0.00 0.00 179.01 180.18 3fqi h GLN 193 N 1.16 0.00 0.00 2.33 4.20 -0.93 -1.19 115.11 120.69 3fqi h GLN 193 Ca 0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.12 3fqi h GLN 193 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3fqi h GLN 193 CO -0.16 0.08 -0.61 1.88 -0.67 0.00 0.00 178.83 179.36 3fqi h TYR 194 N 0.00 0.00 -0.01 2.96 -1.99 -1.41 -3.32 116.97 113.20 3fqi h TYR 194 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3fqi h TYR 194 Cb 0.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.99 3fqi h TYR 194 CO 0.00 0.00 -0.25 -1.33 -0.00 0.00 0.00 178.16 176.58 3fqi n MET 195 N -2.84 2.55 -4.13 4.88 2.81 -0.79 -4.77 117.12 114.83 3fqi n MET 195 Ca 0.02 -0.45 -0.14 0.00 -1.81 0.00 0.00 57.70 55.31 3fqi n MET 195 Cb 0.54 -1.03 -0.11 0.00 -0.71 0.00 0.00 33.22 31.91 3fqi n MET 195 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fqi s ALA 197 N -1.95 2.11 -1.32 0.00 0.00 -0.16 -4.23 121.76 116.22 3fqi s ALA 197 Ca -0.01 -1.79 0.28 0.00 0.00 0.00 0.00 51.96 50.43 3fqi s ALA 197 Cb -0.06 0.17 1.08 0.00 0.00 0.00 0.00 23.12 24.31 3fqi s ALA 197 CO 0.00 -0.07 1.78 -0.40 0.00 0.00 0.00 175.76 177.07 3fqi n ASP 198 N -0.48 0.34 -4.24 0.00 5.68 -1.26 0.12 116.55 116.71 3fqi n ASP 198 Ca -0.06 -0.20 -0.21 0.00 -0.50 0.00 0.00 54.79 53.82 3fqi n ASP 198 Cb 0.63 -0.12 -0.12 0.00 -1.14 0.00 0.00 41.12 40.36 3fqi n ASP 198 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3fqi s LYS 199 N -2.73 1.00 0.26 0.11 1.02 -1.26 -4.79 119.74 113.35 3fqi s LYS 199 Ca 0.21 -1.10 -0.31 0.00 0.02 0.00 0.00 55.97 54.79 3fqi s LYS 199 Cb 0.19 -1.09 -0.12 0.00 -0.52 0.00 0.00 37.83 36.28 3fqi s LYS 199 CO 0.54 0.24 1.53 -0.35 -0.92 0.00 0.00 175.35 176.39 3fqi n PRO 200 N 1.04 2.42 -0.92 -1.68 -0.04 -1.26 -1.66 135.00 132.90 3fqi n PRO 200 Ca -0.19 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 3fqi n PRO 200 Cb 0.54 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3fqi n PRO 200 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fqi n GLY 201 N 2.33 0.31 3.80 0.55 0.00 -1.26 -4.98 105.19 105.93 3fqi n GLY 201 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3fqi n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fqi s GLY 202 N -2.00 1.64 -0.02 -0.02 0.00 -0.66 -5.02 107.32 101.23 3fqi s GLY 202 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 44.72 44.41 3fqi s GLY 202 CO 0.00 0.32 0.76 -1.35 0.00 0.00 0.00 173.10 172.83 3fqi s SER 203 N -3.79 7.11 0.36 1.64 1.04 -1.26 -4.65 113.70 114.14 3fqi s SER 203 Ca 0.60 1.33 -0.28 0.00 0.48 0.00 0.00 55.95 58.08 3fqi s SER 203 Cb -0.15 -2.45 -0.12 0.00 0.10 0.00 0.00 66.02 63.40 3fqi s SER 203 CO 0.55 -0.10 1.35 -2.65 0.98 0.00 0.00 173.24 173.37 3fqi n PRO 204 N 3.52 2.28 -3.84 4.02 -0.02 -1.26 -4.78 135.00 134.92 3fqi n PRO 204 Ca -0.01 0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 61.98 3fqi n PRO 204 Cb 0.51 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.42 3fqi n PRO 204 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3fqi s ASP 205 N -0.27 4.03 0.00 2.55 2.15 -1.25 -4.96 116.67 118.92 3fqi s ASP 205 Ca 0.55 -2.72 0.09 0.00 0.43 0.00 0.00 52.55 50.90 3fqi s ASP 205 Cb -0.54 -1.33 0.28 0.00 -0.30 0.00 0.00 42.92 41.03 3fqi s ASP 205 CO 0.62 -0.27 1.22 -0.81 -0.17 0.00 0.00 175.17 175.77 3fqi n PRO 206 N 3.46 1.55 0.15 4.34 -0.04 -1.26 -4.11 135.00 139.09 3fqi n PRO 206 Ca 0.06 -0.86 0.13 0.00 -0.04 0.00 0.00 63.50 62.80 3fqi n PRO 206 Cb 0.34 -1.20 0.43 0.00 -0.04 0.00 0.00 33.50 33.03 3fqi n PRO 206 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3fqi h SER 207 N 1.42 0.00 -0.72 3.54 4.64 -1.94 -3.45 113.55 117.04 3fqi h SER 207 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fqi h SER 207 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3fqi h SER 207 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3fqi n GLY 208 N 0.72 0.80 3.89 -0.77 0.00 -1.26 -5.08 105.19 103.48 3fqi n GLY 208 Ca 0.04 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 3fqi n GLY 208 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fqi s GLU 209 N 1.62 3.58 -0.30 1.61 -1.05 -1.26 -4.94 118.70 117.97 3fqi s GLU 209 Ca 0.00 -0.12 -0.20 0.00 -0.15 0.00 0.00 54.97 54.50 3fqi s GLU 209 Cb 0.00 -3.02 -0.01 0.00 -0.44 0.00 0.00 34.13 30.66 3fqi s GLU 209 CO 0.00 0.60 0.62 0.14 0.95 0.00 0.00 175.26 177.57 3fqi s VAL 210 N -1.41 4.95 -0.27 1.83 -7.23 -0.38 -4.99 120.40 112.90 3fqi s VAL 210 Ca 0.32 0.88 0.03 0.00 -1.81 0.00 0.00 61.98 61.40 3fqi s VAL 210 Cb -0.13 -3.98 0.06 0.00 0.56 0.00 0.00 36.38 32.89 3fqi s VAL 210 CO 0.20 -0.11 -0.09 0.21 -0.31 0.00 0.00 175.10 175.00 3fqi s ASN 211 N 1.62 4.49 -0.03 4.85 3.84 -1.26 -0.56 114.94 127.89 3fqi s ASN 211 Ca 0.25 -1.45 0.10 0.00 0.21 0.00 0.00 52.86 51.97 3fqi s ASN 211 Cb -0.15 -1.56 0.34 0.00 -0.55 0.00 0.00 41.25 39.33 3fqi s ASN 211 CO 0.11 -0.21 1.24 0.35 -2.79 0.00 0.00 177.10 175.80 3fqi n THR 212 N 4.42 0.68 0.14 -5.21 -2.24 -0.68 -2.71 114.28 108.68 3fqi n THR 212 Ca -0.13 -0.53 -0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3fqi n THR 212 Cb 0.42 0.11 0.17 0.00 -2.10 0.00 0.00 70.33 68.93 3fqi n THR 212 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3fqi h ASN 213 N 2.11 0.00 -3.21 3.42 4.21 -1.85 -3.40 115.58 116.87 3fqi h ASN 213 Ca 0.00 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.97 3fqi h ASN 213 Cb 0.65 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.84 3fqi h ASN 213 CO 0.05 0.60 0.57 -0.69 -1.29 0.00 0.00 177.43 176.67 3fqi s VAL 214 N -3.47 4.35 -0.03 2.81 1.01 -1.10 -4.48 120.40 119.49 3fqi s VAL 214 Ca -0.00 1.67 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 3fqi s VAL 214 Cb 0.12 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3fqi s VAL 214 CO 0.75 0.07 0.32 0.00 0.00 0.00 0.00 175.10 176.25 3fqi s ALA 215 N 1.52 -0.82 -0.13 5.51 0.00 -0.71 -4.98 121.76 122.16 3fqi s ALA 215 Ca 0.55 0.46 0.02 0.00 0.00 0.00 0.00 51.96 53.00 3fqi s ALA 215 Cb -0.25 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3fqi s ALA 215 CO 0.26 -0.25 -0.20 -0.47 0.00 0.00 0.00 175.76 175.10 3fqi s TYR 216 N -1.06 2.47 -0.11 0.00 5.04 -1.26 -0.93 117.35 121.49 3fqi s TYR 216 Ca -0.11 -1.20 0.04 0.00 -2.44 0.00 0.00 57.07 53.35 3fqi s TYR 216 Cb -0.05 -1.70 0.00 0.00 0.35 0.00 0.00 41.96 40.57 3fqi s TYR 216 CO 0.04 -0.56 -0.23 0.00 -1.34 0.00 0.00 175.55 173.46 3fqi s SER 218 N 0.45 7.06 -0.23 0.00 0.15 -0.29 -1.23 113.70 119.61 3fqi s SER 218 Ca -0.16 1.26 -0.06 0.00 0.70 0.00 0.00 55.95 57.68 3fqi s SER 218 Cb -0.17 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 3fqi s SER 218 CO 0.06 0.27 0.03 -0.69 1.20 0.00 0.00 173.24 174.11 3fqi s VAL 219 N -1.12 4.01 0.14 4.45 1.01 0.73 -1.54 120.40 128.07 3fqi s VAL 219 Ca 0.29 -0.28 0.11 0.00 0.00 0.00 0.00 61.98 62.10 3fqi s VAL 219 Cb -0.19 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3fqi s VAL 219 CO 0.19 0.38 -0.25 -0.76 0.00 0.00 0.00 175.10 174.66 3fqi s LEU 220 N 1.46 2.35 -0.09 3.92 1.43 0.54 0.47 118.68 128.76 3fqi s LEU 220 Ca 0.05 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 3fqi s LEU 220 Cb -0.15 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 3fqi s LEU 220 CO 0.01 0.14 -0.13 -0.60 0.23 0.00 0.00 176.35 176.01 3fqi s ARG 221 N -2.22 2.97 0.00 1.70 3.52 0.27 -1.63 118.95 123.56 3fqi s ARG 221 Ca 0.15 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 3fqi s ARG 221 Cb -0.09 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 3fqi s ARG 221 CO 0.07 0.42 0.00 0.45 -0.81 0.00 0.00 175.30 175.43 3fqi n SER 222 N 2.91 0.00 -3.66 -2.12 2.88 -0.20 -2.00 113.62 111.43 3fqi n SER 222 Ca -0.18 -0.96 -0.07 0.00 -1.33 0.00 0.00 58.87 56.34 3fqi n SER 222 Cb 0.52 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 3fqi n SER 222 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3fqi s ARG 223 N -1.87 0.58 -0.40 -1.46 3.52 -1.26 0.19 118.95 118.25 3fqi s ARG 223 Ca 0.00 1.16 -0.13 0.00 -0.13 0.00 0.00 55.73 56.64 3fqi s ARG 223 Cb 0.00 0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.68 3fqi s ARG 223 CO 0.00 -0.17 0.26 -1.17 -0.81 0.00 0.00 175.30 173.41 3fqi s LEU 224 N 1.91 4.98 0.00 -0.88 2.96 -0.92 -0.99 118.68 125.74 3fqi s LEU 224 Ca -0.08 -1.03 0.00 0.00 -0.22 0.00 0.00 54.13 52.79 3fqi s LEU 224 Cb -0.08 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.53 3fqi s LEU 224 CO -0.18 -0.45 0.00 0.61 -1.32 0.00 0.00 176.35 175.02 3fqi n GLY 225 N 5.07 3.09 0.97 7.98 0.00 0.13 -1.12 105.19 121.31 3fqi n GLY 225 Ca -0.11 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.25 3fqi n GLY 225 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fqi n ASN 226 N 7.96 2.79 -4.00 1.61 3.02 -1.26 -4.80 115.26 120.58 3fqi n ASN 226 Ca 0.00 -2.19 -0.32 0.00 -0.03 0.00 0.00 54.58 52.05 3fqi n ASN 226 Cb 0.00 -0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 38.64 3fqi n ASN 226 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3fqi s HIS 227 N -1.63 3.39 0.29 3.10 3.76 -0.28 -5.10 115.29 118.82 3fqi s HIS 227 Ca 0.30 -3.00 -0.30 0.00 -0.15 0.00 0.00 55.06 51.91 3fqi s HIS 227 Cb 0.18 -2.94 -0.13 0.00 1.11 0.00 0.00 32.58 30.80 3fqi s HIS 227 CO 0.16 -0.82 1.29 -2.30 -0.85 0.00 0.00 174.74 172.22 3fqi n PRO 228 N 3.55 1.94 -5.14 8.40 -0.02 -1.26 -2.16 135.00 140.31 3fqi n PRO 228 Ca 0.05 0.69 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 3fqi n PRO 228 Cb 0.36 -2.26 -0.16 0.00 -0.02 0.00 0.00 33.50 31.41 3fqi n PRO 228 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fqi s LEU 229 N -0.28 2.03 -0.14 2.45 1.43 0.13 -1.75 118.68 122.54 3fqi s LEU 229 Ca 0.62 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3fqi s LEU 229 Cb -0.63 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.39 3fqi s LEU 229 CO 0.56 0.24 -0.11 -0.22 0.23 0.00 0.00 176.35 177.06 3fqi s LEU 230 N -0.26 1.51 0.03 1.79 2.96 -0.33 -1.04 118.68 123.35 3fqi s LEU 230 Ca 0.01 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 3fqi s LEU 230 Cb -0.12 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.55 3fqi s LEU 230 CO 0.02 -0.09 0.22 0.72 -1.32 0.00 0.00 176.35 175.89 3fqi s PHE 231 N 1.58 -0.01 0.15 5.38 -0.12 -0.65 -2.23 117.98 122.08 3fqi s PHE 231 Ca 0.04 -0.13 0.05 0.00 -0.05 0.00 0.00 56.93 56.85 3fqi s PHE 231 Cb -0.13 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 3fqi s PHE 231 CO -0.09 -0.41 0.10 -1.54 -0.05 0.00 0.00 175.22 173.22 3fqi s SER 232 N -1.84 5.37 -0.10 1.98 1.04 -1.15 -0.34 113.70 118.66 3fqi s SER 232 Ca -0.08 -0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.11 3fqi s SER 232 Cb -0.03 -1.36 0.03 0.00 0.10 0.00 0.00 66.02 64.76 3fqi s SER 232 CO -0.02 0.09 0.25 -0.83 0.98 0.00 0.00 173.24 173.72 3fqi s GLY 233 N -2.94 -0.18 0.23 7.32 0.00 -0.59 0.23 107.32 111.39 3fqi s GLY 233 Ca 0.30 0.83 -0.30 0.00 0.00 0.00 0.00 44.72 45.54 3fqi s GLY 233 CO 0.22 0.85 1.41 -0.54 0.00 0.00 0.00 173.10 175.05 3fqi s GLU 234 N 0.55 4.29 -0.09 2.90 2.02 -1.26 -1.14 118.70 125.97 3fqi s GLU 234 Ca -0.03 2.24 0.05 0.00 0.02 0.00 0.00 54.97 57.25 3fqi s GLU 234 Cb -0.05 -3.13 -0.00 0.00 0.10 0.00 0.00 34.13 31.05 3fqi s GLU 234 CO -0.03 -0.39 -0.24 0.08 0.02 0.00 0.00 175.26 174.70 3fqi s VAL 235 N 0.07 2.05 -0.06 2.63 1.01 0.83 -4.91 120.40 122.03 3fqi s VAL 235 Ca 0.59 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 3fqi s VAL 235 Cb -0.41 -1.76 -0.22 0.00 0.00 0.00 0.00 36.38 33.99 3fqi s VAL 235 CO 0.42 0.56 1.10 0.44 0.00 0.00 0.00 175.10 177.62 3fqi h ASP 236 N 6.52 0.04 -5.05 3.32 3.32 -1.86 -3.41 116.42 119.31 3fqi h ASP 236 Ca -0.23 -0.67 0.15 0.00 0.02 0.00 0.00 57.03 56.31 3fqi h ASP 236 Cb 1.22 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 3fqi h ASP 236 CO 0.47 0.70 0.49 0.00 -1.72 0.00 0.00 179.24 179.18 3fqi s LEU 238 N -2.75 2.82 -0.44 0.00 2.96 -0.50 -1.36 118.68 119.41 3fqi s LEU 238 Ca 0.09 -0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.54 3fqi s LEU 238 Cb -0.01 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 45.08 3fqi s LEU 238 CO -0.03 0.23 0.69 0.21 -1.32 0.00 0.00 176.35 176.13 3fqi s ASN 239 N -0.03 6.35 0.41 3.68 2.47 0.57 -1.25 114.94 127.14 3fqi s ASN 239 Ca -0.02 -0.26 0.12 0.00 0.42 0.00 0.00 52.86 53.12 3fqi s ASN 239 Cb -0.14 -2.34 0.88 0.00 -1.45 0.00 0.00 41.25 38.20 3fqi s ASN 239 CO 0.04 -0.82 1.94 -0.65 -3.72 0.00 0.00 177.10 173.89 3fqi h PRO 240 N 8.90 0.10 -0.59 0.43 0.11 -1.86 -2.44 132.00 136.66 3fqi h PRO 240 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3fqi h PRO 240 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fqi h PRO 240 CO 0.91 0.28 0.00 1.04 -0.21 0.00 0.00 178.00 180.02 3fqi n GLN 241 N -4.28 2.71 -1.96 1.05 6.02 -1.26 -4.95 117.38 114.70 3fqi n GLN 241 Ca -0.02 -1.86 -0.39 0.00 -0.01 0.00 0.00 57.00 54.73 3fqi n GLN 241 Cb 0.27 -1.64 0.01 0.00 1.02 0.00 0.00 30.24 29.90 3fqi n GLN 241 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fqi s ALA 242 N -1.69 3.14 0.18 -1.58 0.00 -0.92 -4.93 121.76 115.96 3fqi s ALA 242 Ca 0.33 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.44 3fqi s ALA 242 Cb 0.21 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.92 3fqi s ALA 242 CO 0.17 -1.00 1.82 -1.00 0.00 0.00 0.00 175.76 175.75 3fqi h PRO 243 N 2.29 0.65 -4.87 0.00 0.13 -1.91 -3.36 132.00 124.92 3fqi h PRO 243 Ca -0.50 -0.04 -0.66 0.00 -0.87 0.00 0.00 66.00 63.93 3fqi h PRO 243 Cb 1.26 -0.15 -0.21 0.00 0.13 0.00 0.00 31.00 32.03 3fqi h PRO 243 CO 0.61 0.43 -0.58 0.00 -0.23 0.00 0.00 178.00 178.23 3fqi n THR 245 N 4.98 0.00 -3.00 0.00 5.66 -1.26 -3.21 114.28 117.44 3fqi n THR 245 Ca -0.15 -0.24 -0.40 0.00 -3.05 0.00 0.00 64.05 60.20 3fqi n THR 245 Cb 0.51 0.51 -0.05 0.00 -1.55 0.00 0.00 70.33 69.75 3fqi n THR 245 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 3fqi s GLN 246 N -2.04 4.35 0.53 1.09 2.00 -1.26 -4.73 119.66 119.59 3fqi s GLN 246 Ca 0.37 0.89 -0.21 0.00 -2.00 0.00 0.00 55.36 54.41 3fqi s GLN 246 Cb 0.21 -3.51 -0.06 0.00 0.80 0.00 0.00 33.01 30.45 3fqi s GLN 246 CO 0.35 -0.12 1.18 -2.14 -0.50 0.00 0.00 175.29 174.06 3fqi s PRO 247 N 1.44 3.37 0.00 1.67 0.02 -1.26 -1.86 135.00 138.38 3fqi s PRO 247 Ca 0.36 1.78 0.28 0.00 0.02 0.00 0.00 61.00 63.45 3fqi s PRO 247 Cb -0.17 -2.14 1.15 0.00 0.02 0.00 0.00 34.50 33.36 3fqi s PRO 247 CO 0.15 -0.87 1.80 -0.35 -0.33 0.00 0.00 177.00 177.40 3fqi n PRO 248 N -1.08 1.16 0.31 5.54 -0.04 -1.26 -4.35 135.00 135.28 3fqi n PRO 248 Ca 0.11 -0.55 0.18 0.00 -0.04 0.00 0.00 63.50 63.19 3fqi n PRO 248 Cb 0.49 -1.49 1.02 0.00 -0.04 0.00 0.00 33.50 33.48 3fqi n PRO 248 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3fqi h SER 249 N 1.35 0.00 0.28 3.54 0.02 -1.49 -1.46 113.55 115.79 3fqi h SER 249 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fqi h SER 249 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3fqi h SER 249 CO 0.00 0.00 -0.15 0.00 -1.14 0.00 0.00 176.83 175.54 3fqi s TYR 251 N -2.44 3.50 -0.01 0.00 4.12 -0.55 -0.32 117.35 121.65 3fqi s TYR 251 Ca 0.28 1.21 0.03 0.00 0.02 0.00 0.00 57.07 58.61 3fqi s TYR 251 Cb 0.20 -2.59 -0.01 0.00 -1.52 0.00 0.00 41.96 38.04 3fqi s TYR 251 CO 0.48 -0.30 -0.09 0.08 0.02 0.00 0.00 175.55 175.74 3fqi s VAL 252 N -2.62 0.71 -0.17 0.71 1.01 -0.46 -4.26 120.40 115.32 3fqi s VAL 252 Ca 0.54 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 3fqi s VAL 252 Cb -0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 3fqi s VAL 252 CO 0.36 0.20 0.12 -0.70 0.00 0.00 0.00 175.10 175.08 3fqi s GLU 253 N -0.21 3.92 -0.08 2.72 2.56 -0.51 -3.10 118.70 124.00 3fqi s GLU 253 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.97 54.77 3fqi s GLU 253 Cb -0.03 -3.30 -0.03 0.00 2.00 0.00 0.00 34.13 32.76 3fqi s GLU 253 CO -0.00 0.43 -0.02 -0.51 -0.56 0.00 0.00 175.26 174.59 3fqi s LEU 254 N -0.03 3.43 0.04 2.70 1.43 -1.26 -0.35 118.68 124.63 3fqi s LEU 254 Ca 0.09 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3fqi s LEU 254 Cb -0.11 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3fqi s LEU 254 CO -0.00 0.37 -0.02 -0.54 0.23 0.00 0.00 176.35 176.39 3fqi s LYS 255 N -0.85 0.54 0.18 1.70 -0.14 -0.48 -4.94 119.74 115.74 3fqi s LYS 255 Ca 0.13 -1.06 0.11 0.00 -1.36 0.00 0.00 55.97 53.79 3fqi s LYS 255 Cb -0.11 0.19 -0.04 0.00 -1.68 0.00 0.00 37.83 36.18 3fqi s LYS 255 CO 0.02 -0.10 -0.25 0.99 -0.76 0.00 0.00 175.35 175.25 3fqi s THR 256 N -3.29 2.31 0.10 2.17 2.01 -1.26 -1.18 115.64 116.50 3fqi s THR 256 Ca 0.01 -1.96 -0.16 0.00 0.31 0.00 0.00 61.69 59.90 3fqi s THR 256 Cb 0.03 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.49 3fqi s THR 256 CO -0.08 -0.07 0.38 -0.55 -0.69 0.00 0.00 174.62 173.62 3fqi s SER 257 N -2.50 -0.21 0.55 3.53 0.15 -1.01 -4.92 113.70 109.28 3fqi s SER 257 Ca 0.19 -0.26 -0.20 0.00 0.70 0.00 0.00 55.95 56.37 3fqi s SER 257 Cb -0.08 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.62 3fqi s SER 257 CO 0.09 -0.78 1.22 -0.54 1.20 0.00 0.00 173.24 174.42 3fqi s LYS 258 N -3.42 3.22 0.63 5.44 1.02 -1.26 -0.97 119.74 124.40 3fqi s LYS 258 Ca 0.01 1.87 -0.18 0.00 0.02 0.00 0.00 55.97 57.68 3fqi s LYS 258 Cb 0.01 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 3fqi s LYS 258 CO -0.09 -1.02 1.12 0.39 -0.92 0.00 0.00 175.35 174.83 3fqi n GLU 259 N -1.21 0.97 -4.55 1.68 1.02 -0.66 -4.65 120.64 113.24 3fqi n GLU 259 Ca 0.11 0.38 -0.21 0.00 -0.02 0.00 0.00 57.16 57.43 3fqi n GLU 259 Cb 0.49 -2.35 -0.15 0.00 -0.02 0.00 0.00 31.44 29.41 3fqi n GLU 259 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3fqi s MET 260 N -3.10 1.02 0.00 3.49 -1.94 -1.26 -5.00 119.30 112.51 3fqi s MET 260 Ca 0.80 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 54.34 3fqi s MET 260 Cb -0.39 -0.98 0.00 0.00 2.01 0.00 0.00 34.83 35.47 3fqi s MET 260 CO 0.43 0.25 0.79 0.72 -0.01 0.00 0.00 175.02 177.21 3fqi n HIS 261 N 2.83 0.00 -3.79 -0.03 -0.00 -1.26 -5.00 115.22 107.97 3fqi n HIS 261 Ca -0.14 -0.29 -0.12 0.00 -0.00 0.00 0.00 57.72 57.16 3fqi n HIS 261 Cb 0.56 -0.03 -0.09 0.00 -0.00 0.00 0.00 29.99 30.43 3fqi n HIS 261 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3fqi s SER 262 N -0.59 -0.13 0.31 0.41 1.04 -1.26 -5.04 113.70 108.44 3fqi s SER 262 Ca 0.00 -0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.45 3fqi s SER 262 Cb 0.00 0.30 0.75 0.00 0.10 0.00 0.00 66.02 67.16 3fqi s SER 262 CO 0.00 -0.46 1.79 -0.65 0.98 0.00 0.00 173.24 174.90 3fqi h PRO 263 N 3.82 0.74 -0.80 4.02 0.11 -1.99 -1.77 132.00 136.13 3fqi h PRO 263 Ca -0.30 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 3fqi h PRO 263 Cb 1.18 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 3fqi h PRO 263 CO 0.42 0.49 0.33 0.78 -0.21 0.00 0.00 178.00 179.81 3fqi h GLY 264 N 0.76 1.26 0.98 -0.55 0.00 -1.98 0.94 103.07 104.49 3fqi h GLY 264 Ca 0.56 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 3fqi h GLY 264 CO -0.35 0.63 -0.16 1.46 0.00 0.00 0.00 176.54 178.12 3fqi h GLN 265 N 1.15 0.76 -0.67 4.80 4.20 -1.84 -2.07 115.11 121.43 3fqi h GLN 265 Ca 0.27 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3fqi h GLN 265 Cb 0.19 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3fqi h GLN 265 CO -0.02 0.94 0.35 -1.49 -0.67 0.00 0.00 178.83 177.93 3fqi h TRP 266 N 0.55 0.94 -0.86 2.96 4.06 -1.09 -1.88 115.95 120.64 3fqi h TRP 266 Ca 0.08 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 3fqi h TRP 266 Cb 0.70 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.53 3fqi h TRP 266 CO 0.06 0.69 0.43 -0.09 -3.56 0.00 0.00 178.44 175.96 3fqi h ARG 267 N 0.92 1.23 -0.56 0.49 9.65 -0.74 0.14 114.38 125.52 3fqi h ARG 267 Ca 0.23 -0.17 -0.11 0.00 -1.10 0.00 0.00 59.98 58.83 3fqi h ARG 267 Cb 0.08 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 3fqi h ARG 267 CO -0.03 0.93 -0.08 1.03 2.80 0.00 0.00 179.97 184.62 3fqi h SER 268 N 1.22 1.04 -0.44 -3.80 0.87 -1.26 -1.91 113.55 109.27 3fqi h SER 268 Ca 0.30 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3fqi h SER 268 Cb 0.10 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 3fqi h SER 268 CO -0.04 1.13 0.27 0.15 -0.53 0.00 0.00 176.83 177.81 3fqi h PHE 269 N 0.93 0.57 -0.80 2.24 3.57 -0.73 -0.09 116.94 122.61 3fqi h PHE 269 Ca 0.15 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3fqi h PHE 269 Cb 0.64 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 3fqi h PHE 269 CO 0.04 0.38 0.41 1.88 -2.23 0.00 0.00 178.31 178.80 3fqi h TYR 270 N 0.58 1.13 -0.26 0.41 0.99 -0.62 -1.14 116.97 118.06 3fqi h TYR 270 Ca 0.16 -0.04 -0.17 0.00 2.00 0.00 0.00 58.73 60.68 3fqi h TYR 270 Cb -0.03 -0.36 0.00 0.00 1.00 0.00 0.00 36.73 37.35 3fqi h TYR 270 CO -0.04 0.81 -0.49 0.00 -0.00 0.00 0.00 178.16 178.45 3fqi h ARG 271 N 1.13 0.79 0.00 4.88 3.08 -1.09 -3.34 114.38 119.84 3fqi h ARG 271 Ca 0.28 -0.50 -0.29 0.00 0.07 0.00 0.00 59.98 59.54 3fqi h ARG 271 Cb 0.08 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3fqi h ARG 271 CO -0.04 1.13 -1.94 0.72 -1.07 0.00 0.00 179.97 178.77 3fqi n HIS 272 N -4.10 0.00 0.05 3.04 8.25 -0.07 -4.49 115.22 117.90 3fqi n HIS 272 Ca -0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.28 3fqi n HIS 272 Cb 0.59 -0.79 -0.14 0.00 1.12 0.00 0.00 29.99 30.78 3fqi n HIS 272 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3fqi h LYS 273 N -0.96 0.15 -0.06 -0.41 3.64 -1.40 -3.26 116.57 114.27 3fqi h LYS 273 Ca -0.43 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 58.60 3fqi h LYS 273 Cb 1.37 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 3fqi h LYS 273 CO -0.26 0.98 -0.40 -0.07 -2.27 0.00 0.00 179.45 177.43 3fqi h LEU 274 N 0.04 0.14 -0.48 5.20 3.38 -1.53 -1.43 115.31 120.63 3fqi h LEU 274 Ca -0.19 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.76 3fqi h LEU 274 Cb 1.96 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.63 3fqi h LEU 274 CO 0.14 0.53 0.25 0.25 0.09 0.00 0.00 178.44 179.69 3fqi h LEU 275 N 0.11 0.36 -0.38 1.67 5.85 -1.69 0.24 115.31 121.46 3fqi h LEU 275 Ca 0.01 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 3fqi h LEU 275 Cb 0.76 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3fqi h LEU 275 CO 0.06 0.25 -0.27 0.11 -0.34 0.00 0.00 178.44 178.25 3fqi h LYS 276 N 0.49 0.86 -0.44 1.25 1.57 -1.53 -1.15 116.57 117.62 3fqi h LYS 276 Ca 0.21 -0.41 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 3fqi h LYS 276 Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3fqi h LYS 276 CO -0.14 1.06 -0.04 -1.49 -0.57 0.00 0.00 179.45 178.27 3fqi h TRP 277 N 0.67 0.88 -0.16 -1.35 4.06 -1.10 -1.19 115.95 117.77 3fqi h TRP 277 Ca 0.07 -0.17 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 3fqi h TRP 277 Cb 0.85 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 3fqi h TRP 277 CO 0.06 0.87 0.08 2.35 -3.56 0.00 0.00 178.44 178.25 3fqi h TRP 278 N 0.63 0.22 0.00 0.49 7.01 -0.48 -1.97 115.95 121.85 3fqi h TRP 278 Ca 0.12 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.05 3fqi h TRP 278 Cb 0.55 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 3fqi h TRP 278 CO 0.04 0.23 -0.29 0.00 -2.79 0.00 0.00 178.44 175.64 3fqi h ALA 279 N 0.96 1.37 -0.08 2.65 0.00 -1.08 0.28 119.26 123.36 3fqi h ALA 279 Ca 0.05 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3fqi h ALA 279 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3fqi h ALA 279 CO -0.01 0.37 -0.29 0.37 0.00 0.00 0.00 179.25 179.69 3fqi h GLN 280 N 0.00 0.33 0.00 0.00 4.15 -1.13 -3.36 115.11 115.11 3fqi h GLN 280 Ca -0.00 -0.25 -0.16 0.00 0.77 0.00 0.00 58.65 59.00 3fqi h GLN 280 Cb 0.57 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 3fqi h GLN 280 CO 0.04 0.89 -1.26 0.77 -1.93 0.00 0.00 178.83 177.34 3fqi h SER 281 N -0.15 0.00 0.14 -0.69 0.02 -1.13 -3.37 113.55 108.37 3fqi h SER 281 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3fqi h SER 281 Cb 0.93 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 3fqi h SER 281 CO 0.06 0.58 -0.11 0.15 -1.14 0.00 0.00 176.83 176.38 3fqi h PHE 282 N 0.00 -0.27 -0.17 3.45 3.57 -0.61 -1.99 116.94 120.92 3fqi h PHE 282 Ca -0.13 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.42 3fqi h PHE 282 Cb 1.56 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 40.34 3fqi h PHE 282 CO 0.00 -0.17 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.58 3fqi h LEU 283 N -0.25 -0.84 -0.05 0.59 3.38 -1.72 -2.16 115.31 114.25 3fqi h LEU 283 Ca -0.01 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3fqi h LEU 283 Cb 0.23 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3fqi h LEU 283 CO -0.01 -0.31 -0.02 -0.81 0.09 0.00 0.00 178.44 177.38 3fqi n PRO 284 N -5.39 0.64 -1.98 1.13 -0.04 -1.24 -4.81 135.00 123.32 3fqi n PRO 284 Ca -0.02 -0.05 -0.01 0.00 -0.04 0.00 0.00 63.50 63.37 3fqi n PRO 284 Cb 0.30 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3fqi n PRO 284 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fqi n GLY 285 N 1.21 0.32 3.60 0.55 0.00 -0.81 -4.70 105.19 105.36 3fqi n GLY 285 Ca 0.17 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 3fqi n GLY 285 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fqi s VAL 286 N -2.06 4.46 -0.67 1.61 1.01 -0.77 -3.94 120.40 120.03 3fqi s VAL 286 Ca 0.00 1.24 0.26 0.00 0.00 0.00 0.00 61.98 63.48 3fqi s VAL 286 Cb 0.00 -4.43 0.29 0.00 0.00 0.00 0.00 36.38 32.24 3fqi s VAL 286 CO 0.00 -0.69 1.75 1.55 0.00 0.00 0.00 175.10 177.71 3fqi h PRO 287 N 8.68 0.00 -4.20 2.72 0.13 -1.81 -3.42 132.00 134.10 3fqi h PRO 287 Ca -0.23 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.56 3fqi h PRO 287 Cb 1.07 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.90 3fqi h PRO 287 CO 1.04 0.00 -0.76 -1.01 -0.23 0.00 0.00 178.00 177.04 3fqi s HIS 288 N -3.13 0.50 -0.17 1.56 3.76 -1.26 -1.12 115.29 115.43 3fqi s HIS 288 Ca 0.10 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 3fqi s HIS 288 Cb 0.11 -0.37 0.01 0.00 1.11 0.00 0.00 32.58 33.43 3fqi s HIS 288 CO 0.60 -0.05 -0.16 0.08 -0.85 0.00 0.00 174.74 174.36 3fqi s VAL 289 N 0.17 2.49 -0.28 -0.90 1.01 -0.53 -1.42 120.40 120.93 3fqi s VAL 289 Ca -0.02 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 3fqi s VAL 289 Cb -0.05 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.28 3fqi s VAL 289 CO -0.00 0.52 0.05 -0.69 0.00 0.00 0.00 175.10 174.97 3fqi s VAL 290 N 1.04 3.75 -0.13 2.92 1.01 0.52 0.09 120.40 129.61 3fqi s VAL 290 Ca -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 3fqi s VAL 290 Cb -0.15 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3fqi s VAL 290 CO -0.05 0.11 0.01 0.00 0.00 0.00 0.00 175.10 175.17 3fqi s ALA 291 N 1.47 3.27 -0.21 5.51 0.00 0.26 -1.38 121.76 130.68 3fqi s ALA 291 Ca 0.02 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 3fqi s ALA 291 Cb -0.17 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 3fqi s ALA 291 CO 0.01 0.41 0.05 0.20 0.00 0.00 0.00 175.76 176.43 3fqi s GLY 292 N -0.31 1.81 -0.19 0.00 0.00 -0.32 -0.68 107.32 107.63 3fqi s GLY 292 Ca 0.07 -0.93 -0.17 0.00 0.00 0.00 0.00 44.72 43.69 3fqi s GLY 292 CO 0.02 0.25 0.46 -1.36 0.00 0.00 0.00 173.10 172.47 3fqi s PHE 293 N 0.93 3.39 -0.12 1.90 0.40 -0.46 -2.41 117.98 121.60 3fqi s PHE 293 Ca 0.03 0.71 -0.11 0.00 -0.60 0.00 0.00 56.93 56.96 3fqi s PHE 293 Cb -0.14 -2.59 -0.05 0.00 0.51 0.00 0.00 43.02 40.75 3fqi s PHE 293 CO 0.03 -0.03 0.24 -0.98 0.70 0.00 0.00 175.22 175.17 3fqi s ARG 294 N 1.39 3.90 0.74 0.44 1.70 -0.14 -3.24 118.95 123.74 3fqi s ARG 294 Ca 0.22 0.04 -0.15 0.00 -0.47 0.00 0.00 55.73 55.36 3fqi s ARG 294 Cb -0.15 -3.30 0.01 0.00 -0.57 0.00 0.00 34.95 30.94 3fqi s ARG 294 CO 0.09 0.52 0.93 0.09 -1.08 0.00 0.00 175.30 175.85 3fqi n ASN 295 N 2.66 0.26 0.25 -2.89 3.02 0.11 -1.66 115.26 117.02 3fqi n ASN 295 Ca -0.16 0.63 0.16 0.00 -0.03 0.00 0.00 54.58 55.19 3fqi n ASN 295 Cb 0.53 -1.39 0.85 0.00 -0.61 0.00 0.00 39.78 39.16 3fqi n ASN 295 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3fqi h PRO 296 N -0.41 0.00 -0.06 3.52 0.11 -1.99 -0.99 132.00 132.18 3fqi h PRO 296 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fqi h PRO 296 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3fqi h PRO 296 CO 0.46 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.64 3fqi n GLU 297 N -2.64 1.67 -0.67 1.05 -0.58 -1.26 -4.95 120.64 113.26 3fqi n GLU 297 Ca -0.02 -0.99 0.00 0.00 -0.42 0.00 0.00 57.16 55.73 3fqi n GLU 297 Cb 0.11 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 3fqi n GLU 297 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fqi n GLY 298 N 1.16 0.59 3.78 0.62 0.00 -0.38 -4.94 105.19 106.03 3fqi n GLY 298 Ca 0.18 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 3fqi n GLY 298 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fqi s PHE 299 N -2.00 3.40 -0.34 1.61 0.40 -1.26 -1.31 117.98 118.48 3fqi s PHE 299 Ca 0.00 0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 56.54 3fqi s PHE 299 Cb 0.00 -1.89 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 3fqi s PHE 299 CO 0.00 0.59 0.39 0.08 0.70 0.00 0.00 175.22 176.97 3fqi s VAL 300 N -0.86 5.14 0.00 -0.44 1.01 0.71 0.09 120.40 126.05 3fqi s VAL 300 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3fqi s VAL 300 Cb -0.12 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3fqi s VAL 300 CO 0.03 -0.10 0.80 0.00 0.00 0.00 0.00 175.10 175.83 3fqi s SER 302 N -0.61 -0.28 0.10 0.00 1.04 -1.26 -4.55 113.70 108.15 3fqi s SER 302 Ca 0.00 0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.76 3fqi s SER 302 Cb 0.00 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 3fqi s SER 302 CO 0.00 -0.43 -0.18 -0.76 0.98 0.00 0.00 173.24 172.85 3fqi s LEU 303 N -1.11 2.32 -0.10 2.42 1.43 -1.26 -1.36 118.68 121.03 3fqi s LEU 303 Ca -0.11 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.21 3fqi s LEU 303 Cb -0.04 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.48 3fqi s LEU 303 CO 0.04 -0.02 0.25 -0.75 0.23 0.00 0.00 176.35 176.11 3fqi s LYS 304 N -2.06 0.25 -0.19 1.70 2.20 0.15 -4.99 119.74 116.79 3fqi s LYS 304 Ca 0.05 0.44 -0.13 0.00 -0.36 0.00 0.00 55.97 55.98 3fqi s LYS 304 Cb -0.09 0.02 -0.05 0.00 -1.51 0.00 0.00 37.83 36.20 3fqi s LYS 304 CO 0.04 -0.10 0.24 0.99 -0.36 0.00 0.00 175.35 176.16 3fqi s THR 305 N 0.67 5.32 -0.40 3.43 2.01 -1.26 -0.57 115.64 124.84 3fqi s THR 305 Ca -0.04 0.41 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 3fqi s THR 305 Cb -0.06 -3.58 0.11 0.00 0.01 0.00 0.00 72.50 68.98 3fqi s THR 305 CO -0.04 0.37 0.18 -0.36 -0.69 0.00 0.00 174.62 174.08 3fqi s PHE 306 N 0.72 3.61 0.08 4.92 0.40 0.11 -5.00 117.98 122.83 3fqi s PHE 306 Ca 0.13 -2.55 -0.31 0.00 -0.60 0.00 0.00 56.93 53.60 3fqi s PHE 306 Cb -0.13 -3.17 -0.10 0.00 0.51 0.00 0.00 43.02 40.13 3fqi s PHE 306 CO 0.03 -0.96 1.88 -2.30 0.70 0.00 0.00 175.22 174.57 3fqi n PRO 307 N 4.48 2.76 -0.29 0.24 -0.02 -1.26 -1.45 135.00 139.45 3fqi n PRO 307 Ca -0.01 1.01 0.11 0.00 -2.02 0.00 0.00 63.50 62.59 3fqi n PRO 307 Cb 0.41 -2.92 0.27 0.00 -0.02 0.00 0.00 33.50 31.24 3fqi n PRO 307 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3fqi h THR 308 N 5.04 0.45 0.00 3.45 2.02 -1.39 -0.28 112.91 122.19 3fqi h THR 308 Ca -0.48 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 3fqi h THR 308 Cb 1.23 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3fqi h THR 308 CO 0.94 0.06 -0.02 0.00 0.37 0.00 0.00 175.52 176.88 3fqi h MET 309 N 0.32 0.00 -0.02 6.66 -0.00 -1.91 -2.91 114.93 117.07 3fqi h MET 309 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.22 3fqi h MET 309 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.57 3fqi h MET 309 CO -0.55 0.02 -0.07 0.39 -0.00 0.00 0.00 176.91 176.69 3fqi n GLU 310 N -3.33 1.23 -0.19 -0.10 1.02 -0.14 -4.67 120.64 114.46 3fqi n GLU 310 Ca -0.02 -1.21 -0.08 0.00 -0.02 0.00 0.00 57.16 55.82 3fqi n GLU 310 Cb 0.12 -1.26 0.02 0.00 -0.02 0.00 0.00 31.44 30.30 3fqi n GLU 310 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3fqi h MET 311 N 2.55 0.80 0.00 3.49 2.86 -1.30 -2.81 114.93 120.51 3fqi h MET 311 Ca 0.00 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3fqi h MET 311 Cb 0.58 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3fqi h MET 311 CO 0.00 0.67 -0.04 0.35 1.06 0.00 0.00 176.91 178.95 3fqi h PHE 312 N 0.73 0.00 -0.59 -0.22 3.57 -1.83 -2.59 116.94 116.02 3fqi h PHE 312 Ca 0.18 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.81 3fqi h PHE 312 Cb 0.16 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3fqi h PHE 312 CO 0.00 0.04 0.40 0.93 -2.23 0.00 0.00 178.31 177.45 3fqi h GLU 313 N 0.00 0.25 0.00 1.11 4.39 -1.82 0.12 114.58 118.63 3fqi h GLU 313 Ca -0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3fqi h GLU 313 Cb 0.08 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3fqi h GLU 313 CO 0.01 0.17 -0.07 -0.91 -1.16 0.00 0.00 179.01 177.04 3fqi h ASN 314 N 0.26 0.00 0.00 1.42 2.35 -1.62 -3.18 115.58 114.81 3fqi h ASN 314 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3fqi h ASN 314 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3fqi h ASN 314 CO -0.06 0.07 0.00 1.33 -1.65 0.00 0.00 177.43 177.13 3fqi n VAL 315 N -3.56 0.29 -0.25 2.81 0.24 -0.43 -4.84 118.33 112.59 3fqi n VAL 315 Ca -0.02 -0.50 0.13 0.00 -2.04 0.00 0.00 64.34 61.91 3fqi n VAL 315 Cb 0.20 1.02 0.41 0.00 -1.47 0.00 0.00 33.84 34.00 3fqi n VAL 315 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3fqi h ARG 316 N 0.00 0.60 -0.85 7.34 2.43 -1.01 -1.59 114.38 121.31 3fqi h ARG 316 Ca 0.00 -0.04 -0.60 0.00 -0.81 0.00 0.00 59.98 58.54 3fqi h ARG 316 Cb 0.35 -0.14 -0.36 0.00 -0.42 0.00 0.00 29.97 29.41 3fqi h ARG 316 CO 0.00 0.40 -0.03 0.09 -1.51 0.00 0.00 179.97 178.92 3fqi n ASN 317 N -4.55 6.10 -4.19 -3.80 3.02 -1.26 -4.98 115.26 105.60 3fqi n ASN 317 Ca 0.17 -3.77 -0.34 0.00 -0.03 0.00 0.00 54.58 50.62 3fqi n ASN 317 Cb 0.51 -0.64 -0.15 0.00 -0.61 0.00 0.00 39.78 38.89 3fqi n ASN 317 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3fqi s ASP 318 N -2.77 3.53 0.63 6.41 3.68 -0.60 -5.00 116.67 122.55 3fqi s ASP 318 Ca 0.57 -0.56 0.36 0.00 2.13 0.00 0.00 52.55 55.05 3fqi s ASP 318 Cb 0.46 -1.57 2.05 0.00 -1.45 0.00 0.00 42.92 42.41 3fqi s ASP 318 CO 0.02 -0.00 2.27 0.03 0.13 0.00 0.00 175.17 177.61 3fqi h ARG 319 N 7.95 0.00 -0.04 4.34 3.08 -1.94 -1.83 114.38 125.95 3fqi h ARG 319 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 3fqi h ARG 319 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3fqi h ARG 319 CO 0.62 0.00 -0.17 0.39 -1.07 0.00 0.00 179.97 179.75 3fqi n GLU 320 N -3.48 1.54 -2.23 0.04 1.02 -1.26 -5.05 120.64 111.22 3fqi n GLU 320 Ca -0.02 -2.87 -0.26 0.00 -0.02 0.00 0.00 57.16 53.99 3fqi n GLU 320 Cb 0.12 -1.58 0.08 0.00 -0.02 0.00 0.00 31.44 30.04 3fqi n GLU 320 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3fqi s GLY 321 N -2.91 1.71 0.48 0.62 0.00 -0.69 -4.94 107.32 101.60 3fqi s GLY 321 Ca 0.35 -1.05 0.05 0.00 0.00 0.00 0.00 44.72 44.08 3fqi s GLY 321 CO 0.00 -0.59 0.67 0.66 0.00 0.00 0.00 173.10 173.83 3fqi s TRP 322 N -3.28 2.82 -0.06 1.90 1.48 -1.26 -5.04 118.94 115.50 3fqi s TRP 322 Ca 0.62 -0.23 -0.03 0.00 -1.06 0.00 0.00 56.10 55.41 3fqi s TRP 322 Cb -0.10 -2.55 0.04 0.00 -1.16 0.00 0.00 33.47 29.70 3fqi s TRP 322 CO 0.45 -0.63 0.10 1.21 -4.06 0.00 0.00 176.95 174.02 3fqi s ASN 323 N -4.39 0.91 0.47 -2.66 3.84 -1.26 -4.79 114.94 107.06 3fqi s ASN 323 Ca 0.56 0.19 0.23 0.00 0.21 0.00 0.00 52.86 54.06 3fqi s ASN 323 Cb -0.10 0.05 1.18 0.00 -0.55 0.00 0.00 41.25 41.83 3fqi s ASN 323 CO 0.36 -0.24 1.97 1.55 -2.79 0.00 0.00 177.10 177.94 3fqi h PRO 324 N 8.34 0.00 -0.09 0.43 0.13 -2.00 -1.92 132.00 136.89 3fqi h PRO 324 Ca -0.14 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.85 3fqi h PRO 324 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3fqi h PRO 324 CO 0.16 0.19 -0.56 0.66 -0.23 0.00 0.00 178.00 178.23 3fqi h SER 325 N 0.00 0.32 -0.50 1.44 4.64 -1.93 -2.01 113.55 115.51 3fqi h SER 325 Ca -0.00 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.03 3fqi h SER 325 Cb 0.49 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3fqi h SER 325 CO 0.03 0.82 -0.12 0.58 -0.87 0.00 0.00 176.83 177.26 3fqi h VAL 326 N 0.22 1.27 -0.01 0.95 2.07 -1.50 -0.51 116.25 118.74 3fqi h VAL 326 Ca 0.00 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.27 3fqi h VAL 326 Cb 1.06 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3fqi h VAL 326 CO 0.09 0.44 -0.05 0.00 0.02 0.00 0.00 177.57 178.07 3fqi h MET 328 N -0.08 0.66 -0.68 0.00 2.86 -1.35 -2.00 114.93 114.33 3fqi h MET 328 Ca 0.03 -0.59 -0.02 0.00 -2.06 0.00 0.00 59.70 57.06 3fqi h MET 328 Cb 0.12 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3fqi h MET 328 CO -0.06 1.20 0.37 -0.91 1.06 0.00 0.00 176.91 178.56 3fqi h ASN 329 N 0.42 0.86 0.03 1.22 2.35 -1.10 0.01 115.58 119.37 3fqi h ASN 329 Ca -0.07 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3fqi h ASN 329 Cb 1.47 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 3fqi h ASN 329 CO 0.16 0.72 -0.02 0.15 -1.65 0.00 0.00 177.43 176.79 3fqi h PHE 330 N 0.94 -0.05 -0.42 1.19 3.57 -1.26 -0.49 116.94 120.41 3fqi h PHE 330 Ca 0.24 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.82 3fqi h PHE 330 Cb 0.06 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 3fqi h PHE 330 CO -0.00 -0.03 0.02 0.00 -2.23 0.00 0.00 178.31 176.06 3fqi h ALA 332 N 1.36 0.82 -0.78 0.00 0.00 -0.89 -0.31 119.26 119.46 3fqi h ALA 332 Ca 0.21 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3fqi h ALA 332 Cb 0.29 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3fqi h ALA 332 CO -0.33 0.35 0.49 0.00 0.00 0.00 0.00 179.25 179.75 3fqi h ALA 333 N 1.16 1.04 -0.32 0.00 0.00 -0.44 -1.87 119.26 118.83 3fqi h ALA 333 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3fqi h ALA 333 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3fqi h ALA 333 CO -0.03 0.27 0.06 0.35 0.00 0.00 0.00 179.25 179.90 3fqi h PHE 334 N 0.93 0.55 -0.94 0.00 3.57 0.57 -0.89 116.94 120.74 3fqi h PHE 334 Ca 0.32 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.83 3fqi h PHE 334 Cb 0.06 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 3fqi h PHE 334 CO -0.04 0.58 0.59 -0.07 -2.23 0.00 0.00 178.31 177.15 3fqi h LEU 335 N 0.35 0.91 -0.50 0.59 3.38 -0.97 0.22 115.31 119.30 3fqi h LEU 335 Ca 0.10 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3fqi h LEU 335 Cb 0.32 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3fqi h LEU 335 CO 0.00 0.56 0.01 -1.28 0.09 0.00 0.00 178.44 177.82 3fqi h SER 336 N 1.03 0.85 -0.11 -0.43 0.87 -1.07 -0.94 113.55 113.75 3fqi h SER 336 Ca 0.42 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3fqi h SER 336 Cb 0.25 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3fqi h SER 336 CO -0.20 0.94 0.05 0.15 -0.53 0.00 0.00 176.83 177.25 3fqi h PHE 337 N 0.73 0.16 -0.27 2.24 3.57 -0.35 -1.45 116.94 121.59 3fqi h PHE 337 Ca 0.14 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3fqi h PHE 337 Cb 0.50 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3fqi h PHE 337 CO 0.04 0.23 0.15 0.00 -2.23 0.00 0.00 178.31 176.50 3fqi h ALA 338 N 0.91 0.34 -0.93 2.41 0.00 -0.57 -0.51 119.26 120.91 3fqi h ALA 338 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fqi h ALA 338 Cb 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3fqi h ALA 338 CO -0.00 -0.14 0.60 1.96 0.00 0.00 0.00 179.25 181.66 3fqi h GLN 339 N 0.32 1.24 0.00 0.00 1.08 -1.07 0.31 115.11 116.99 3fqi h GLN 339 Ca 0.09 -0.09 -0.18 0.00 -1.45 0.00 0.00 58.65 57.02 3fqi h GLN 339 Cb 0.05 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.18 3fqi h GLN 339 CO -0.02 0.84 -0.87 0.66 -0.95 0.00 0.00 178.83 178.49 3fqi h SER 340 N 1.27 0.00 0.02 1.46 4.64 -1.20 -3.35 113.55 116.38 3fqi h SER 340 Ca 0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3fqi h SER 340 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3fqi h SER 340 CO -0.07 0.87 -0.01 0.74 -0.87 0.00 0.00 176.83 177.50 3fqi h THR 341 N 0.00 1.35 -1.01 2.95 2.02 -0.72 -3.38 112.91 114.12 3fqi h THR 341 Ca -0.01 -1.12 -0.61 0.00 0.77 0.00 0.00 66.41 65.44 3fqi h THR 341 Cb 1.66 2.10 -0.09 0.00 -1.74 0.00 0.00 68.15 70.08 3fqi h THR 341 CO 0.11 0.29 1.69 -0.69 0.37 0.00 0.00 175.52 177.29 3fqi s VAL 342 N -4.24 3.96 -0.09 3.16 1.01 0.07 -4.78 120.40 119.49 3fqi s VAL 342 Ca -0.16 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 60.56 3fqi s VAL 342 Cb 0.02 -5.06 -0.12 0.00 0.00 0.00 0.00 36.38 31.22 3fqi s VAL 342 CO 0.66 -1.92 0.53 0.58 0.00 0.00 0.00 175.10 174.95 3fqi h VAL 343 N 6.42 0.69 -3.15 2.92 2.07 -1.82 -3.47 116.25 119.92 3fqi h VAL 343 Ca 0.27 -1.31 -0.53 0.00 0.82 0.00 0.00 66.70 65.96 3fqi h VAL 343 Cb 0.96 1.24 0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3fqi h VAL 343 CO 1.43 0.21 0.70 -1.10 0.02 0.00 0.00 177.57 178.83 3fqi s GLN 344 N -2.50 4.34 -0.58 1.57 1.11 -1.26 -4.97 119.66 117.37 3fqi s GLN 344 Ca -0.09 2.07 -0.25 0.00 0.01 0.00 0.00 55.36 57.10 3fqi s GLN 344 Cb -0.00 -3.23 0.04 0.00 -1.01 0.00 0.00 33.01 28.81 3fqi s GLN 344 CO 0.34 -0.37 1.00 0.34 0.01 0.00 0.00 175.29 176.61 3fqi s ASP 345 N 0.82 6.32 -0.30 5.90 2.15 -1.26 -4.38 116.67 125.92 3fqi s ASP 345 Ca 0.62 -0.37 -0.10 0.00 0.43 0.00 0.00 52.55 53.12 3fqi s ASP 345 Cb -0.37 -2.46 0.17 0.00 -0.30 0.00 0.00 42.92 39.97 3fqi s ASP 345 CO 0.33 -1.33 0.89 -0.62 -0.17 0.00 0.00 175.17 174.28 3fqi s ASP 346 N 3.01 -0.78 0.00 -0.34 3.68 0.45 -4.94 116.67 117.76 3fqi s ASP 346 Ca 0.31 0.67 0.24 0.00 2.13 0.00 0.00 52.55 55.90 3fqi s ASP 346 Cb -0.12 1.72 1.21 0.00 -1.45 0.00 0.00 42.92 44.28 3fqi s ASP 346 CO 0.19 -0.15 1.79 -0.81 0.13 0.00 0.00 175.17 176.32 3fqi n PRO 347 N 5.32 0.34 0.00 4.34 -0.04 -1.25 -2.31 135.00 141.40 3fqi n PRO 347 Ca -0.06 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 3fqi n PRO 347 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 3fqi n PRO 347 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fqi n ARG 348 N -1.29 0.15 -3.42 0.54 1.74 -1.26 -4.41 116.66 108.71 3fqi n ARG 348 Ca 0.11 -0.04 -0.38 0.00 -0.77 0.00 0.00 57.85 56.78 3fqi n ARG 348 Cb 0.19 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 3fqi n ARG 348 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3fqi s LEU 349 N -3.39 4.35 -0.08 0.55 2.96 -0.98 -0.73 118.68 121.37 3fqi s LEU 349 Ca 0.05 0.82 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 3fqi s LEU 349 Cb 0.16 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 44.25 3fqi s LEU 349 CO 0.86 0.14 -0.17 -0.69 -1.32 0.00 0.00 176.35 175.16 3fqi s VAL 350 N -0.05 1.55 -0.37 1.68 1.01 0.74 -4.43 120.40 120.53 3fqi s VAL 350 Ca 0.23 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 3fqi s VAL 350 Cb -0.15 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3fqi s VAL 350 CO 0.10 0.45 0.28 -1.00 0.00 0.00 0.00 175.10 174.93 3fqi s HIS 351 N 0.54 3.23 -0.29 5.22 3.76 -0.03 -0.38 115.29 127.34 3fqi s HIS 351 Ca -0.16 -0.38 -0.20 0.00 -0.15 0.00 0.00 55.06 54.16 3fqi s HIS 351 Cb -0.17 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 30.97 3fqi s HIS 351 CO 0.06 -0.48 0.63 -1.17 -0.85 0.00 0.00 174.74 172.93 3fqi s LEU 352 N 1.72 4.13 -0.30 0.89 2.96 0.26 -0.55 118.68 127.79 3fqi s LEU 352 Ca 0.06 0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 54.32 3fqi s LEU 352 Cb -0.18 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 3fqi s LEU 352 CO 0.10 -0.46 0.32 -0.36 -1.32 0.00 0.00 176.35 174.63 3fqi s PHE 353 N 2.60 3.23 -0.06 5.38 0.40 0.71 -1.63 117.98 128.60 3fqi s PHE 353 Ca 0.26 0.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.80 3fqi s PHE 353 Cb -0.15 -2.55 -0.02 0.00 0.51 0.00 0.00 43.02 40.81 3fqi s PHE 353 CO 0.11 -0.28 -0.16 -1.12 0.70 0.00 0.00 175.22 174.47 3fqi s SER 354 N 1.70 3.86 -0.05 1.36 0.01 0.31 -0.26 113.70 120.64 3fqi s SER 354 Ca 0.12 -0.26 -0.03 0.00 1.31 0.00 0.00 55.95 57.08 3fqi s SER 354 Cb -0.16 -0.90 0.02 0.00 0.21 0.00 0.00 66.02 65.19 3fqi s SER 354 CO 0.11 0.31 0.11 0.86 0.41 0.00 0.00 173.24 175.04 3fqi s TRP 355 N -0.53 -0.12 0.02 2.43 -0.00 0.07 -1.03 118.94 119.78 3fqi s TRP 355 Ca 0.07 0.35 0.07 0.00 -0.00 0.00 0.00 56.10 56.58 3fqi s TRP 355 Cb -0.12 -0.04 -0.02 0.00 -0.00 0.00 0.00 33.47 33.30 3fqi s TRP 355 CO 0.01 -0.10 -0.20 -1.21 -0.00 0.00 0.00 176.95 175.45 3fqi s GLU 356 N 0.61 1.48 -0.16 5.86 0.41 -1.26 -0.81 118.70 124.82 3fqi s GLU 356 Ca -0.05 -0.83 -0.41 0.00 -0.41 0.00 0.00 54.97 53.27 3fqi s GLU 356 Cb -0.06 -1.52 -0.18 0.00 -1.78 0.00 0.00 34.13 30.59 3fqi s GLU 356 CO -0.03 0.40 1.42 -2.30 -0.49 0.00 0.00 175.26 174.26 3fqi n PRO 357 N 2.18 0.54 0.00 0.39 -0.02 -1.26 -1.88 135.00 134.95 3fqi n PRO 357 Ca -0.16 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3fqi n PRO 357 Cb 0.53 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3fqi n PRO 357 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fqi n GLY 358 N 2.97 2.99 4.00 -1.23 0.00 -1.26 -5.05 105.19 107.62 3fqi n GLY 358 Ca 0.24 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 3fqi n GLY 358 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fqi s GLY 359 N -1.25 1.78 0.77 -0.02 0.00 -0.79 -4.97 107.32 102.84 3fqi s GLY 359 Ca 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 44.72 42.83 3fqi s GLY 359 CO 0.00 -1.33 1.12 2.56 0.00 0.00 0.00 173.10 175.45 3fqi s PRO 360 N -4.87 2.03 -0.20 2.90 0.04 -1.26 -4.58 135.00 129.06 3fqi s PRO 360 Ca 0.63 -0.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 3fqi s PRO 360 Cb -0.07 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 3fqi s PRO 360 CO 0.41 -1.47 1.12 0.08 0.04 0.00 0.00 177.00 177.18 3fqi s VAL 361 N -3.45 4.53 0.28 -0.36 1.01 0.18 -4.54 120.40 118.06 3fqi s VAL 361 Ca 0.61 1.85 0.09 0.00 0.00 0.00 0.00 61.98 64.53 3fqi s VAL 361 Cb -0.11 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3fqi s VAL 361 CO 0.47 -0.15 0.09 0.42 0.00 0.00 0.00 175.10 175.93 3fqi s THR 362 N 3.23 3.59 -0.02 3.92 -4.23 -0.20 -0.68 115.64 121.26 3fqi s THR 362 Ca 0.48 -1.72 0.05 0.00 -1.18 0.00 0.00 61.69 59.32 3fqi s THR 362 Cb -0.18 -3.02 -0.01 0.00 1.34 0.00 0.00 72.50 70.63 3fqi s THR 362 CO 0.10 -0.32 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.02 3fqi s VAL 363 N -2.30 1.22 0.07 2.29 1.01 -1.26 -0.53 120.40 120.89 3fqi s VAL 363 Ca 0.34 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3fqi s VAL 363 Cb -0.06 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3fqi s VAL 363 CO 0.22 0.35 -0.09 -0.94 0.00 0.00 0.00 175.10 174.63 3fqi s SER 364 N -0.26 1.17 -0.15 3.32 1.04 -0.65 -4.99 113.70 113.18 3fqi s SER 364 Ca 0.04 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.77 3fqi s SER 364 Cb -0.07 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 3fqi s SER 364 CO -0.00 -0.22 -0.06 -0.69 0.98 0.00 0.00 173.24 173.25 3fqi s VAL 365 N -1.85 3.72 0.08 5.02 1.01 -1.26 -0.58 120.40 126.55 3fqi s VAL 365 Ca -0.03 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3fqi s VAL 365 Cb -0.07 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3fqi s VAL 365 CO 0.00 0.51 -0.06 -1.00 0.00 0.00 0.00 175.10 174.54 3fqi s HIS 366 N 0.29 0.81 -0.00 5.22 3.76 0.49 -5.01 115.29 120.85 3fqi s HIS 366 Ca -0.05 -0.88 0.01 0.00 -0.15 0.00 0.00 55.06 53.99 3fqi s HIS 366 Cb -0.14 -0.48 -0.00 0.00 1.11 0.00 0.00 32.58 33.06 3fqi s HIS 366 CO 0.03 -0.17 -0.03 0.50 -0.85 0.00 0.00 174.74 174.23 3fqi s ARG 367 N -3.54 0.25 4.06 1.40 3.52 -1.26 -0.18 118.95 123.20 3fqi s ARG 367 Ca 0.08 -0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 3fqi s ARG 367 Cb 0.04 -0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.17 3fqi s ARG 367 CO -0.05 0.05 0.00 -0.25 -0.81 0.00 0.00 175.30 174.25 3fqi n ASP 368 N 3.07 0.00 -4.76 -2.12 8.00 0.10 -4.77 116.55 116.06 3fqi n ASP 368 Ca -0.13 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.97 3fqi n ASP 368 Cb 0.58 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.69 3fqi n ASP 368 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fqi s ALA 369 N -1.83 3.18 -0.94 2.24 0.00 -1.26 -0.84 121.76 122.31 3fqi s ALA 369 Ca 0.00 1.29 0.24 0.00 0.00 0.00 0.00 51.96 53.49 3fqi s ALA 369 Cb 0.00 -3.52 0.26 0.00 0.00 0.00 0.00 23.12 19.86 3fqi s ALA 369 CO 0.00 -0.98 1.24 -0.35 0.00 0.00 0.00 175.76 175.66 3fqi n PRO 370 N -0.16 0.04 0.09 0.00 -0.04 -1.26 -4.86 135.00 128.81 3fqi n PRO 370 Ca 0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 3fqi n PRO 370 Cb 0.44 -1.52 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 3fqi n PRO 370 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3fqi h TYR 371 N 0.00 0.32 -1.76 0.54 0.05 -1.81 -3.44 116.97 110.86 3fqi h TYR 371 Ca 0.00 -0.23 -0.68 0.00 0.05 0.00 0.00 58.73 57.87 3fqi h TYR 371 Cb 0.54 -0.01 0.03 0.00 1.01 0.00 0.00 36.73 38.29 3fqi h TYR 371 CO 0.00 1.19 0.84 0.00 -1.05 0.00 0.00 178.16 179.14 3fqi n ALA 372 N -2.47 0.05 0.04 3.88 0.00 -0.02 -4.86 120.51 117.13 3fqi n ALA 372 Ca -0.06 0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.79 3fqi n ALA 372 Cb 1.00 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 3fqi n ALA 372 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3fqi n PHE 373 N 4.86 0.00 -2.65 0.00 1.16 -1.26 -4.84 117.46 114.73 3fqi n PHE 373 Ca 0.23 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.38 3fqi n PHE 373 Cb 0.20 -0.04 -0.02 0.00 -1.61 0.00 0.00 39.48 38.01 3fqi n PHE 373 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3fqi s LEU 374 N -2.79 3.86 0.51 5.98 1.43 -1.26 -4.83 118.68 121.59 3fqi s LEU 374 Ca -0.00 0.84 -0.19 0.00 -1.03 0.00 0.00 54.13 53.74 3fqi s LEU 374 Cb 0.02 -3.51 -0.07 0.00 0.03 0.00 0.00 46.19 42.66 3fqi s LEU 374 CO 0.10 -0.97 1.05 -2.16 0.23 0.00 0.00 176.35 174.60 3fqi s PRO 375 N 3.84 3.66 0.29 1.29 0.04 -1.26 -4.85 135.00 138.01 3fqi s PRO 375 Ca 0.45 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.88 3fqi s PRO 375 Cb -0.11 -2.07 0.71 0.00 0.04 0.00 0.00 34.50 33.07 3fqi s PRO 375 CO 0.20 -0.55 1.75 0.77 0.04 0.00 0.00 177.00 179.21 3fqi h SER 376 N 1.28 0.64 0.06 6.66 0.02 -1.99 -1.34 113.55 118.88 3fqi h SER 376 Ca -0.49 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3fqi h SER 376 Cb 1.22 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 3fqi h SER 376 CO 0.58 0.20 -0.02 4.11 -1.14 0.00 0.00 176.83 180.56 3fqi h TRP 377 N 0.65 0.00 0.03 3.45 5.08 -2.00 0.12 115.95 123.28 3fqi h TRP 377 Ca 0.56 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 60.31 3fqi h TRP 377 Cb 0.91 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.05 3fqi h TRP 377 CO -0.05 0.02 -1.20 -0.92 -1.28 0.00 0.00 178.44 175.02 3fqi h TYR 378 N 0.00 0.12 -0.15 0.12 3.20 -1.64 -3.30 116.97 115.32 3fqi h TYR 378 Ca -0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3fqi h TYR 378 Cb 0.06 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3fqi h TYR 378 CO 0.00 1.47 0.10 0.28 -1.64 0.00 0.00 178.16 178.37 3fqi h VAL 379 N -0.78 1.05 -0.50 1.81 2.07 -1.03 -1.70 116.25 117.17 3fqi h VAL 379 Ca -0.31 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3fqi h VAL 379 Cb 1.42 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3fqi h VAL 379 CO -0.11 0.05 0.31 -0.33 0.02 0.00 0.00 177.57 177.51 3fqi h GLU 380 N 0.20 0.67 -0.62 1.57 4.39 -0.98 0.13 114.58 119.94 3fqi h GLU 380 Ca 0.06 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 3fqi h GLU 380 Cb -0.00 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 3fqi h GLU 380 CO -0.01 0.48 0.13 1.15 -1.16 0.00 0.00 179.01 179.60 3fqi h THR 381 N 0.67 1.25 -0.20 1.13 2.02 -1.61 0.16 112.91 116.33 3fqi h THR 381 Ca 0.18 -0.94 -0.17 0.00 0.77 0.00 0.00 66.41 66.25 3fqi h THR 381 Cb -0.02 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3fqi h THR 381 CO -0.03 0.35 -0.56 0.24 0.37 0.00 0.00 175.52 175.89 3fqi h MET 382 N 0.94 0.61 -0.18 6.66 2.86 -1.05 -3.01 114.93 121.78 3fqi h MET 382 Ca 0.20 -0.40 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 3fqi h MET 382 Cb 0.37 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3fqi h MET 382 CO 0.00 1.01 -0.27 1.15 1.06 0.00 0.00 176.91 179.87 3fqi h THR 383 N 0.47 1.26 -0.57 2.22 2.02 -0.38 -2.93 112.91 114.99 3fqi h THR 383 Ca 0.01 -1.22 0.04 0.00 0.77 0.00 0.00 66.41 66.01 3fqi h THR 383 Cb 1.12 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3fqi h THR 383 CO 0.11 0.38 0.38 1.56 0.37 0.00 0.00 175.52 178.31 3fqi h GLN 384 N 0.30 0.61 0.00 6.66 4.20 -0.55 -3.51 115.11 122.82 3fqi h GLN 384 Ca 0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3fqi h GLN 384 Cb 0.63 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3fqi h GLN 384 CO 0.05 0.40 0.00 -0.25 -0.67 0.00 0.00 178.83 178.36