#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpu s GLN 2 N 0.00 0.34 -0.05 1.57 0.74 -1.26 -4.97 119.66 116.03 2qpu s GLN 2 Ca 0.00 0.99 -0.02 0.00 0.05 0.00 0.00 55.36 56.38 2qpu s GLN 2 Cb 0.00 0.26 0.03 0.00 1.10 0.00 0.00 33.01 34.40 2qpu s GLN 2 CO 0.00 -0.23 0.08 0.08 -0.55 0.00 0.00 175.29 174.67 2qpu s VAL 3 N 2.36 -0.12 0.40 1.34 1.01 -1.26 -4.47 120.40 119.66 2qpu s VAL 3 Ca -0.03 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 2qpu s VAL 3 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 2qpu s VAL 3 CO -0.13 0.14 0.63 -0.76 0.00 0.00 0.00 175.10 174.98 2qpu s LEU 4 N 1.82 3.84 -0.12 3.92 1.02 0.22 -0.75 118.68 128.63 2qpu s LEU 4 Ca -0.00 0.48 -0.05 0.00 0.02 0.00 0.00 54.13 54.58 2qpu s LEU 4 Cb -0.12 -3.36 0.06 0.00 0.02 0.00 0.00 46.19 42.78 2qpu s LEU 4 CO -0.04 -0.46 0.25 0.12 0.02 0.00 0.00 176.35 176.23 2qpu s PHE 5 N -2.46 -0.37 -0.49 0.29 2.19 -0.23 -0.94 117.98 115.96 2qpu s PHE 5 Ca 0.44 0.88 -0.25 0.00 0.33 0.00 0.00 56.93 58.32 2qpu s PHE 5 Cb -0.10 -0.03 0.03 0.00 -1.31 0.00 0.00 43.02 41.61 2qpu s PHE 5 CO 0.38 -0.31 0.94 -1.14 1.83 0.00 0.00 175.22 176.93 2qpu s GLN 6 N 2.02 3.49 -0.29 10.12 0.74 0.28 0.02 119.66 136.04 2qpu s GLN 6 Ca -0.02 0.07 -0.02 0.00 0.05 0.00 0.00 55.36 55.44 2qpu s GLN 6 Cb -0.11 -3.96 0.12 0.00 1.10 0.00 0.00 33.01 30.15 2qpu s GLN 6 CO -0.08 -1.31 2.32 0.41 -0.55 0.00 0.00 175.29 176.08 2qpu n GLY 7 N 4.98 3.88 3.61 2.59 0.00 0.25 -1.86 105.19 118.64 2qpu n GLY 7 Ca 0.05 -1.16 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 2qpu n GLY 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qpu s PHE 8 N -1.36 -0.09 0.16 1.61 -0.71 -1.26 -4.84 117.98 111.50 2qpu s PHE 8 Ca 0.37 -0.01 0.03 0.00 -1.04 0.00 0.00 56.93 56.28 2qpu s PHE 8 Cb 0.25 0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 42.59 2qpu s PHE 8 CO -0.05 -0.29 0.11 0.27 -1.34 0.00 0.00 175.22 173.91 2qpu n ASN 9 N -0.33 0.14 0.15 1.98 0.23 -1.26 -4.66 115.26 111.51 2qpu n ASN 9 Ca -0.05 -2.00 0.13 0.00 -0.53 0.00 0.00 54.58 52.13 2qpu n ASN 9 Cb 0.61 0.67 0.51 0.00 -2.08 0.00 0.00 39.78 39.49 2qpu n ASN 9 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2qpu h TRP 10 N 1.43 0.00 -0.01 -2.53 -0.00 -1.94 -2.90 115.95 110.00 2qpu h TRP 10 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.77 2qpu h TRP 10 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.71 2qpu h TRP 10 CO 0.00 0.00 -0.63 0.39 -0.00 0.00 0.00 178.44 178.20 2qpu n GLU 11 N -2.34 0.95 -0.28 2.65 -0.58 -1.26 -4.64 120.64 115.14 2qpu n GLU 11 Ca 0.02 -0.64 0.20 0.00 -0.42 0.00 0.00 57.16 56.32 2qpu n GLU 11 Cb 0.24 -1.45 0.51 0.00 -0.57 0.00 0.00 31.44 30.17 2qpu n GLU 11 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2qpu h SER 12 N 1.55 0.43 0.14 1.62 0.02 -1.91 -1.44 113.55 113.96 2qpu h SER 12 Ca 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2qpu h SER 12 Cb 0.64 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 2qpu h SER 12 CO 0.00 0.14 -0.03 4.11 -1.14 0.00 0.00 176.83 179.91 2qpu h TRP 13 N 0.41 0.00 0.00 3.45 5.08 -1.83 -2.04 115.95 121.03 2qpu h TRP 13 Ca 0.52 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.49 2qpu h TRP 13 Cb 1.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 2qpu h TRP 13 CO -0.00 0.03 -0.14 1.63 -1.28 0.00 0.00 178.44 178.67 2qpu n LYS 14 N -3.55 0.18 -1.67 0.12 5.02 -0.54 -4.70 118.16 113.01 2qpu n LYS 14 Ca -0.03 0.12 -0.57 0.00 -2.02 0.00 0.00 58.31 55.81 2qpu n LYS 14 Cb 0.13 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 33.38 2qpu n LYS 14 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2qpu n GLN 15 N -1.98 0.93 -1.71 1.97 -0.06 -0.77 -4.85 117.38 110.92 2qpu n GLN 15 Ca 0.06 0.34 -0.42 0.00 -2.00 0.00 0.00 57.00 54.97 2qpu n GLN 15 Cb 0.40 -1.98 -0.03 0.00 -4.06 0.00 0.00 30.24 24.57 2qpu n GLN 15 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2qpu n SER 16 N 4.18 4.02 0.00 1.69 2.88 -1.26 -1.49 113.62 123.64 2qpu n SER 16 Ca 0.24 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 2qpu n SER 16 Cb 0.12 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.02 2qpu n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qpu n GLY 17 N 4.09 1.35 0.00 0.46 0.00 -1.26 -4.84 105.19 104.99 2qpu n GLY 17 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qpu n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qpu n GLY 18 N -2.00 1.82 0.22 -0.02 0.00 -0.56 -4.63 105.19 100.02 2qpu n GLY 18 Ca 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 2qpu n GLY 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2qpu h TRP 19 N 0.00 0.73 -0.81 1.61 2.91 -1.68 -2.35 115.95 116.37 2qpu h TRP 19 Ca 0.00 -0.09 -0.01 0.00 1.13 0.00 0.00 58.89 59.92 2qpu h TRP 19 Cb 0.00 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 28.40 2qpu h TRP 19 CO 0.00 0.68 0.48 1.88 -1.03 0.00 0.00 178.44 180.45 2qpu h TYR 20 N 0.57 1.08 -0.74 2.65 0.05 -1.85 0.09 116.97 118.82 2qpu h TYR 20 Ca 0.14 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 2qpu h TYR 20 Cb 0.32 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 2qpu h TYR 20 CO 0.02 0.73 0.37 -0.91 -1.05 0.00 0.00 178.16 177.32 2qpu h ASN 21 N 1.11 0.94 -0.40 3.88 2.35 -1.79 -2.30 115.58 119.38 2qpu h ASN 21 Ca 0.29 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 2qpu h ASN 21 Cb -0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 2qpu h ASN 21 CO -0.05 0.78 -0.21 -0.03 -1.65 0.00 0.00 177.43 176.27 2qpu h MET 22 N 1.04 0.84 0.00 0.81 4.05 -0.84 -3.00 114.93 117.84 2qpu h MET 22 Ca 0.26 -0.38 -0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2qpu h MET 22 Cb 0.08 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2qpu h MET 22 CO -0.04 1.01 -0.02 0.52 0.23 0.00 0.00 176.91 178.62 2qpu h MET 23 N 0.65 0.00 -0.85 0.39 2.86 -0.49 -2.02 114.93 115.48 2qpu h MET 23 Ca 0.09 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.87 2qpu h MET 23 Cb 0.77 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.37 2qpu h MET 23 CO 0.06 0.02 0.55 0.52 1.06 0.00 0.00 176.91 179.12 2qpu h MET 24 N 0.00 0.60 -0.10 1.72 2.07 -1.28 0.24 114.93 118.18 2qpu h MET 24 Ca -0.00 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 2qpu h MET 24 Cb 0.04 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.64 2qpu h MET 24 CO 0.00 0.39 0.00 0.41 1.07 0.00 0.00 176.91 178.79 2qpu n GLY 25 N -1.46 -0.40 0.00 8.32 0.00 -0.76 -3.39 105.19 107.50 2qpu n GLY 25 Ca 0.16 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.00 2qpu n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qpu n LYS 26 N -0.22 4.51 -0.21 1.61 4.76 0.81 -4.74 118.16 124.69 2qpu n LYS 26 Ca 0.11 -0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.54 2qpu n LYS 26 Cb 0.16 -0.80 0.11 0.00 -1.84 0.00 0.00 35.03 32.65 2qpu n LYS 26 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2qpu h VAL 27 N 0.00 0.85 -0.23 -0.18 2.07 -1.45 -2.19 116.25 115.12 2qpu h VAL 27 Ca 0.00 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2qpu h VAL 27 Cb 0.14 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2qpu h VAL 27 CO 0.00 0.09 0.13 0.44 0.02 0.00 0.00 177.57 178.25 2qpu h ASP 28 N 0.52 0.28 -0.27 0.57 3.32 -1.85 -1.19 116.42 117.79 2qpu h ASP 28 Ca 0.30 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 2qpu h ASP 28 Cb 0.31 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2qpu h ASP 28 CO -0.25 0.27 -0.10 0.44 -1.72 0.00 0.00 179.24 177.88 2qpu h ASP 29 N 0.27 0.66 -0.15 6.45 3.32 -1.86 0.20 116.42 125.31 2qpu h ASP 29 Ca 0.08 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 2qpu h ASP 29 Cb 0.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2qpu h ASP 29 CO -0.01 0.79 0.03 0.40 -1.72 0.00 0.00 179.24 178.73 2qpu h ILE 30 N 0.62 1.22 -0.39 0.35 2.04 -1.19 -1.38 117.51 118.78 2qpu h ILE 30 Ca 0.11 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 2qpu h ILE 30 Cb 0.53 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2qpu h ILE 30 CO 0.03 0.21 -0.03 0.00 0.00 0.00 0.00 178.15 178.36 2qpu h ALA 31 N 0.82 0.52 0.00 1.87 0.00 -1.10 -2.84 119.26 118.54 2qpu h ALA 31 Ca 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2qpu h ALA 31 Cb 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qpu h ALA 31 CO 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 2qpu h ALA 32 N 0.87 1.14 0.00 0.00 0.00 -0.91 -1.84 119.26 118.51 2qpu h ALA 32 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qpu h ALA 32 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2qpu h ALA 32 CO 0.03 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2qpu n ALA 33 N -2.19 2.25 -0.03 0.00 0.00 -0.52 -4.90 120.51 115.12 2qpu n ALA 33 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qpu n ALA 33 Cb 0.23 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2qpu n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qpu n GLY 34 N 1.33 0.98 3.75 0.00 0.00 -0.69 -4.50 105.19 106.06 2qpu n GLY 34 Ca 0.07 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2qpu n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qpu s VAL 35 N -2.00 3.51 -0.06 1.61 1.01 -1.13 -4.59 120.40 118.75 2qpu s VAL 35 Ca 0.00 1.48 0.12 0.00 0.00 0.00 0.00 61.98 63.58 2qpu s VAL 35 Cb 0.00 -3.94 -0.18 0.00 0.00 0.00 0.00 36.38 32.26 2qpu s VAL 35 CO 0.00 0.33 0.17 0.35 0.00 0.00 0.00 175.10 175.96 2qpu n THR 36 N 1.41 0.38 -3.82 3.92 -2.24 0.07 -4.73 114.28 109.28 2qpu n THR 36 Ca -0.00 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 2qpu n THR 36 Cb 0.45 -0.21 -0.15 0.00 -2.10 0.00 0.00 70.33 68.33 2qpu n THR 36 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2qpu s HIS 37 N -2.62 -0.02 -0.16 4.78 3.76 -1.06 -1.02 115.29 118.96 2qpu s HIS 37 Ca -0.05 0.11 -0.00 0.00 -0.15 0.00 0.00 55.06 54.97 2qpu s HIS 37 Cb 0.06 -0.09 -0.00 0.00 1.11 0.00 0.00 32.58 33.66 2qpu s HIS 37 CO 0.52 -0.05 -0.14 0.08 -0.85 0.00 0.00 174.74 174.29 2qpu s VAL 38 N 0.47 2.71 -0.30 -0.90 1.01 -0.16 -1.07 120.40 122.16 2qpu s VAL 38 Ca -0.04 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 2qpu s VAL 38 Cb -0.05 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 2qpu s VAL 38 CO -0.01 0.51 0.77 0.86 0.00 0.00 0.00 175.10 177.22 2qpu s TRP 39 N 0.91 3.22 0.10 5.22 -0.00 0.10 -0.23 118.94 128.26 2qpu s TRP 39 Ca -0.03 0.81 0.04 0.00 -0.00 0.00 0.00 56.10 56.92 2qpu s TRP 39 Cb -0.15 -3.16 -0.04 0.00 -0.00 0.00 0.00 33.47 30.12 2qpu s TRP 39 CO -0.01 -0.53 0.08 -0.51 -0.00 0.00 0.00 176.95 175.98 2qpu s LEU 40 N 2.88 3.77 1.03 5.86 1.43 0.59 -0.59 118.68 133.66 2qpu s LEU 40 Ca 0.31 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.24 2qpu s LEU 40 Cb -0.14 -2.44 0.20 0.00 0.03 0.00 0.00 46.19 43.84 2qpu s LEU 40 CO 0.12 0.15 1.07 -2.16 0.23 0.00 0.00 176.35 175.76 2qpu s PRO 41 N -2.55 0.19 -0.06 1.29 0.04 -1.26 -1.89 135.00 130.77 2qpu s PRO 41 Ca 0.29 0.81 -0.35 0.00 0.04 0.00 0.00 61.00 61.79 2qpu s PRO 41 Cb -0.12 -1.69 -0.12 0.00 0.04 0.00 0.00 34.50 32.61 2qpu s PRO 41 CO 0.22 -2.97 1.81 -2.30 0.04 0.00 0.00 177.00 173.80 2qpu n PRO 42 N -4.38 2.08 0.00 0.56 -0.02 -1.26 -4.23 135.00 127.75 2qpu n PRO 42 Ca 0.05 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.43 2qpu n PRO 42 Cb 0.55 -2.58 0.46 0.00 -0.02 0.00 0.00 33.50 31.92 2qpu n PRO 42 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2qpu n PRO 43 N 5.91 0.27 -2.68 0.52 -0.04 -1.26 -4.78 135.00 132.94 2qpu n PRO 43 Ca 0.22 -0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 2qpu n PRO 43 Cb 0.28 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.27 2qpu n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2qpu s SER 44 N -2.81 5.41 0.30 3.54 0.01 -1.26 -4.48 113.70 114.41 2qpu s SER 44 Ca 0.18 0.15 -0.29 0.00 1.31 0.00 0.00 55.95 57.30 2qpu s SER 44 Cb 0.19 -1.12 -0.13 0.00 0.21 0.00 0.00 66.02 65.17 2qpu s SER 44 CO 0.58 -1.06 1.25 1.57 0.41 0.00 0.00 173.24 175.99 2qpu n HIS 45 N -2.34 2.01 -3.87 2.43 -0.00 -0.61 -4.58 115.22 108.26 2qpu n HIS 45 Ca 0.06 0.56 -0.11 0.00 -0.00 0.00 0.00 57.72 58.23 2qpu n HIS 45 Cb 0.59 -2.39 -0.12 0.00 -0.00 0.00 0.00 29.99 28.08 2qpu n HIS 45 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2qpu s SER 46 N -0.22 -0.01 0.34 0.26 0.15 -1.26 -1.44 113.70 111.52 2qpu s SER 46 Ca 0.59 -0.03 0.14 0.00 0.70 0.00 0.00 55.95 57.35 2qpu s SER 46 Cb -0.62 0.18 0.59 0.00 -1.71 0.00 0.00 66.02 64.46 2qpu s SER 46 CO 0.59 -0.16 1.73 0.58 1.20 0.00 0.00 173.24 177.17 2qpu h VAL 47 N 4.76 1.22 -2.86 4.45 2.07 -1.32 -3.42 116.25 121.15 2qpu h VAL 47 Ca -0.27 -1.64 -0.63 0.00 0.82 0.00 0.00 66.70 64.97 2qpu h VAL 47 Cb 1.20 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 2qpu h VAL 47 CO 0.43 0.45 -0.41 -0.94 0.02 0.00 0.00 177.57 177.12 2qpu s SER 48 N -6.75 6.47 0.32 0.57 1.04 -1.26 -5.02 113.70 109.06 2qpu s SER 48 Ca -0.02 0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.95 2qpu s SER 48 Cb 0.13 -2.08 0.58 0.00 0.10 0.00 0.00 66.02 64.75 2qpu s SER 48 CO 0.73 0.27 1.93 0.78 0.98 0.00 0.00 173.24 177.92 2qpu h ASN 49 N 4.08 0.84 0.70 7.02 2.35 -1.99 -2.54 115.58 126.04 2qpu h ASN 49 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 2qpu h ASN 49 Cb 1.20 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.39 2qpu h ASN 49 CO 0.66 0.55 0.00 -0.62 -1.65 0.00 0.00 177.43 176.36 2qpu n GLU 50 N -4.48 0.07 -0.06 0.81 4.71 -1.26 -4.63 120.64 115.79 2qpu n GLU 50 Ca 0.13 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.53 2qpu n GLU 50 Cb 0.20 -1.62 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 2qpu n GLU 50 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qpu n GLY 51 N 0.31 0.46 0.51 0.62 0.00 -0.96 -4.61 105.19 101.53 2qpu n GLY 51 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 2qpu n GLY 51 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qpu n TYR 52 N -2.00 0.32 -3.14 1.61 4.01 -1.26 -3.81 117.16 112.89 2qpu n TYR 52 Ca 0.00 -0.13 -0.21 0.00 -0.16 0.00 0.00 57.90 57.40 2qpu n TYR 52 Cb 0.00 -0.08 -0.04 0.00 -0.31 0.00 0.00 39.34 38.92 2qpu n TYR 52 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2qpu n MET 53 N 0.05 1.48 -1.73 -0.72 2.81 -1.26 -5.01 117.12 112.73 2qpu n MET 53 Ca 0.06 -3.72 -0.39 0.00 -1.81 0.00 0.00 57.70 51.83 2qpu n MET 53 Cb 0.27 -1.80 0.03 0.00 -0.71 0.00 0.00 33.22 31.01 2qpu n MET 53 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2qpu n PRO 54 N 0.26 1.88 0.00 0.03 -0.04 -1.25 -0.85 135.00 135.04 2qpu n PRO 54 Ca 0.26 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 2qpu n PRO 54 Cb 0.59 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 2qpu n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qpu n GLY 55 N 0.74 0.48 3.55 0.55 0.00 -0.52 -0.55 105.19 109.43 2qpu n GLY 55 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2qpu n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qpu s ARG 56 N 0.00 3.54 0.50 1.61 0.52 -1.24 -4.80 118.95 119.09 2qpu s ARG 56 Ca 0.00 -1.04 0.22 0.00 -0.52 0.00 0.00 55.73 54.38 2qpu s ARG 56 Cb 0.00 -5.21 1.29 0.00 0.52 0.00 0.00 34.95 31.56 2qpu s ARG 56 CO 0.00 -2.19 2.00 -0.07 0.02 0.00 0.00 175.30 175.07 2qpu h LEU 57 N 12.74 0.09 0.00 2.53 3.38 -1.75 -0.88 115.31 131.43 2qpu h LEU 57 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2qpu h LEU 57 Cb 1.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2qpu h LEU 57 CO 1.40 0.05 -0.27 -1.22 0.09 0.00 0.00 178.44 178.50 2qpu n TYR 58 N -4.42 0.16 -2.81 1.13 4.01 -0.16 -4.56 117.16 110.51 2qpu n TYR 58 Ca 0.09 0.05 -0.44 0.00 -0.16 0.00 0.00 57.90 57.44 2qpu n TYR 58 Cb 0.51 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2qpu n TYR 58 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2qpu n ASP 59 N -1.65 5.12 0.07 7.72 -0.08 -0.33 -4.73 116.55 122.66 2qpu n ASP 59 Ca 0.06 -2.96 -0.10 0.00 -1.51 0.00 0.00 54.79 50.28 2qpu n ASP 59 Cb 0.36 -1.63 0.01 0.00 2.34 0.00 0.00 41.12 42.19 2qpu n ASP 59 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2qpu h ILE 60 N 4.96 1.42 0.00 5.18 1.08 -1.80 -1.61 117.51 126.73 2qpu h ILE 60 Ca 0.37 -2.34 0.00 0.00 -0.39 0.00 0.00 64.86 62.50 2qpu h ILE 60 Cb 0.87 2.28 0.00 0.00 -3.07 0.00 0.00 36.82 36.90 2qpu h ILE 60 CO 1.33 0.69 0.01 0.44 -0.69 0.00 0.00 178.15 179.93 2qpu h ASP 61 N 0.20 0.00 0.24 1.72 3.32 -1.85 -2.12 116.42 117.94 2qpu h ASP 61 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2qpu h ASP 61 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2qpu h ASP 61 CO 0.13 0.00 -0.18 0.00 -1.72 0.00 0.00 179.24 177.48 2qpu n ALA 62 N -1.94 2.91 -1.77 3.45 0.00 -1.21 -4.52 120.51 117.43 2qpu n ALA 62 Ca -0.02 -0.36 -0.37 0.00 0.00 0.00 0.00 53.44 52.69 2qpu n ALA 62 Cb 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2qpu n ALA 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qpu s SER 63 N -2.42 5.87 0.44 0.00 0.15 -0.80 -4.74 113.70 112.20 2qpu s SER 63 Ca 0.28 2.37 0.28 0.00 0.70 0.00 0.00 55.95 59.58 2qpu s SER 63 Cb 0.20 -2.60 0.96 0.00 -1.71 0.00 0.00 66.02 62.86 2qpu s SER 63 CO 0.48 -1.13 1.81 0.11 1.20 0.00 0.00 173.24 175.72 2qpu h LYS 64 N 1.72 0.00 0.00 5.44 1.79 -1.90 -3.04 116.57 120.58 2qpu h LYS 64 Ca -0.50 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.90 2qpu h LYS 64 Cb 1.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 2qpu h LYS 64 CO 0.59 0.00 -0.37 1.88 -1.08 0.00 0.00 179.45 180.47 2qpu h TYR 65 N 0.00 0.00 0.00 -1.35 0.05 -1.88 -3.42 116.97 110.36 2qpu h TYR 65 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2qpu h TYR 65 Cb 0.65 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.39 2qpu h TYR 65 CO 0.00 0.37 0.00 0.41 -1.05 0.00 0.00 178.16 177.89 2qpu n GLY 66 N 0.90 3.23 3.97 3.88 0.00 -1.15 -2.48 105.19 113.54 2qpu n GLY 66 Ca 0.02 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 2qpu n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qpu s ASN 67 N 0.00 3.53 0.24 1.61 2.20 -1.26 -4.23 114.94 117.03 2qpu s ASN 67 Ca 0.00 -0.11 -0.06 0.00 -0.94 0.00 0.00 52.86 51.74 2qpu s ASN 67 Cb 0.00 -0.02 0.30 0.00 -2.00 0.00 0.00 41.25 39.53 2qpu s ASN 67 CO 0.00 -2.43 1.86 0.00 -2.94 0.00 0.00 177.10 173.59 2qpu h ALA 68 N -1.19 1.15 -0.56 3.54 0.00 -1.88 -1.00 119.26 119.32 2qpu h ALA 68 Ca -0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2qpu h ALA 68 Cb 1.24 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2qpu h ALA 68 CO 0.36 0.33 0.29 0.00 0.00 0.00 0.00 179.25 180.23 2qpu h ALA 69 N 1.38 0.72 -0.52 0.00 0.00 -1.97 0.11 119.26 118.98 2qpu h ALA 69 Ca 0.36 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2qpu h ALA 69 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2qpu h ALA 69 CO -0.15 0.26 -0.08 0.93 0.00 0.00 0.00 179.25 180.21 2qpu h GLU 70 N 0.75 0.94 -0.28 0.00 5.08 -1.83 -1.74 114.58 117.50 2qpu h GLU 70 Ca 0.19 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 2qpu h GLU 70 Cb 0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2qpu h GLU 70 CO -0.03 0.97 -0.25 1.25 -1.00 0.00 0.00 179.01 179.96 2qpu h LEU 71 N 0.85 0.71 -1.38 1.33 5.85 -0.91 -2.63 115.31 119.14 2qpu h LEU 71 Ca 0.14 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 2qpu h LEU 71 Cb 0.60 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2qpu h LEU 71 CO 0.04 1.02 -0.02 0.11 -0.34 0.00 0.00 178.44 179.25 2qpu h LYS 72 N 0.41 0.38 -0.40 1.25 1.57 -0.68 -0.82 116.57 118.29 2qpu h LYS 72 Ca 0.05 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 2qpu h LYS 72 Cb 0.81 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2qpu h LYS 72 CO 0.06 0.43 -0.29 0.77 -0.57 0.00 0.00 179.45 179.86 2qpu h SER 73 N 0.37 0.90 -0.17 0.86 0.02 -1.21 0.01 113.55 114.33 2qpu h SER 73 Ca 0.08 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.62 2qpu h SER 73 Cb 0.29 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2qpu h SER 73 CO 0.01 1.13 -0.08 0.25 -1.14 0.00 0.00 176.83 177.00 2qpu h LEU 74 N 0.74 0.37 -0.94 5.07 5.85 -1.06 -0.21 115.31 125.12 2qpu h LEU 74 Ca 0.08 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 2qpu h LEU 74 Cb 0.85 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2qpu h LEU 74 CO 0.07 0.69 0.34 0.40 -0.34 0.00 0.00 178.44 179.60 2qpu h ILE 75 N 0.04 1.24 -0.69 4.05 2.04 -1.13 -0.96 117.51 122.11 2qpu h ILE 75 Ca 0.04 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2qpu h ILE 75 Cb 0.55 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2qpu h ILE 75 CO 0.02 0.30 0.26 1.23 0.00 0.00 0.00 178.15 179.96 2qpu h GLY 76 N 1.12 1.12 0.93 5.37 0.00 -0.83 -0.99 103.07 109.79 2qpu h GLY 76 Ca 0.26 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2qpu h GLY 76 CO -0.03 0.59 0.13 0.00 0.00 0.00 0.00 176.54 177.23 2qpu h ALA 77 N 1.12 0.40 -0.21 3.60 0.00 -0.48 -0.88 119.26 122.82 2qpu h ALA 77 Ca 0.23 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2qpu h ALA 77 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2qpu h ALA 77 CO -0.02 -0.01 0.10 -0.07 0.00 0.00 0.00 179.25 179.25 2qpu h LEU 78 N 0.36 0.14 -1.35 0.00 3.38 -0.98 -2.15 115.31 114.72 2qpu h LEU 78 Ca 0.10 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2qpu h LEU 78 Cb 0.16 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2qpu h LEU 78 CO -0.01 0.11 0.46 0.45 0.09 0.00 0.00 178.44 179.55 2qpu h HIS 79 N 0.21 0.82 0.00 1.13 3.86 -1.00 -0.14 115.15 120.03 2qpu h HIS 79 Ca 0.09 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2qpu h HIS 79 Cb 0.03 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.22 2qpu h HIS 79 CO -0.10 0.48 -0.02 0.78 0.86 0.00 0.00 177.93 179.93 2qpu h GLY 80 N 0.85 0.00 -2.21 2.45 0.00 -0.48 0.15 103.07 103.82 2qpu h GLY 80 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2qpu h GLY 80 CO -0.08 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.74 2qpu n LYS 81 N -3.46 2.65 -1.03 4.80 4.76 -0.23 -4.95 118.16 120.71 2qpu n LYS 81 Ca -0.03 -2.39 -0.01 0.00 -2.87 0.00 0.00 58.31 53.01 2qpu n LYS 81 Cb 0.12 -1.47 -0.00 0.00 -1.84 0.00 0.00 35.03 31.83 2qpu n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qpu n GLY 82 N 1.30 0.48 3.66 0.72 0.00 0.04 -5.00 105.19 106.39 2qpu n GLY 82 Ca 0.20 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 2qpu n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qpu s VAL 83 N -2.03 4.73 0.57 1.61 1.01 -0.25 -4.93 120.40 121.12 2qpu s VAL 83 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2qpu s VAL 83 Cb 0.00 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2qpu s VAL 83 CO 0.00 0.50 0.90 -1.10 0.00 0.00 0.00 175.10 175.40 2qpu s GLN 84 N 0.05 3.17 -0.13 2.72 -0.21 -0.19 -2.85 119.66 122.23 2qpu s GLN 84 Ca 0.05 0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.63 2qpu s GLN 84 Cb -0.12 -2.26 -0.01 0.00 1.00 0.00 0.00 33.01 31.63 2qpu s GLN 84 CO 0.01 -0.57 -0.17 0.00 -2.12 0.00 0.00 175.29 172.44 2qpu s ALA 85 N -2.98 2.46 -0.17 6.09 0.00 -1.26 -0.99 121.76 124.91 2qpu s ALA 85 Ca 0.53 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 2qpu s ALA 85 Cb -0.11 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 2qpu s ALA 85 CO 0.47 0.14 0.01 0.42 0.00 0.00 0.00 175.76 176.80 2qpu s ILE 86 N 0.54 4.24 -0.11 0.00 1.01 0.69 -1.01 121.20 126.56 2qpu s ILE 86 Ca -0.10 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 2qpu s ILE 86 Cb -0.16 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2qpu s ILE 86 CO 0.04 0.47 0.19 0.00 0.00 0.00 0.00 174.94 175.64 2qpu s ALA 87 N 0.49 3.82 -0.50 9.38 0.00 -0.03 -0.30 121.76 134.62 2qpu s ALA 87 Ca -0.01 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 2qpu s ALA 87 Cb -0.14 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.93 2qpu s ALA 87 CO 0.02 0.53 1.14 0.34 0.00 0.00 0.00 175.76 177.79 2qpu s ASP 88 N -0.85 6.58 -0.39 0.00 -1.08 -0.79 -1.14 116.67 118.99 2qpu s ASP 88 Ca 0.16 0.35 -0.18 0.00 -0.52 0.00 0.00 52.55 52.36 2qpu s ASP 88 Cb -0.13 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.80 2qpu s ASP 88 CO 0.05 -1.30 0.47 -0.63 0.52 0.00 0.00 175.17 174.28 2qpu s ILE 89 N 4.55 5.05 -0.56 4.11 -1.09 0.90 -4.04 121.20 130.11 2qpu s ILE 89 Ca 0.46 -0.06 -0.08 0.00 -2.23 0.00 0.00 60.65 58.74 2qpu s ILE 89 Cb -0.07 -4.01 0.14 0.00 -1.58 0.00 0.00 42.46 36.94 2qpu s ILE 89 CO 0.30 -0.35 0.42 -0.69 -1.23 0.00 0.00 174.94 173.40 2qpu s VAL 90 N 2.27 4.25 0.00 2.92 1.01 -1.26 -1.25 120.40 128.35 2qpu s VAL 90 Ca 0.15 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 59.95 2qpu s VAL 90 Cb -0.16 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2qpu s VAL 90 CO 0.14 -0.83 0.69 2.30 0.00 0.00 0.00 175.10 177.40 2qpu n ILE 91 N 4.42 0.48 -0.14 2.22 -5.35 -1.26 -4.73 119.36 115.00 2qpu n ILE 91 Ca -0.01 -0.60 -0.12 0.00 -0.27 0.00 0.00 62.75 61.76 2qpu n ILE 91 Cb 0.41 0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 39.15 2qpu n ILE 91 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2qpu h ASN 92 N 0.00 0.84 -3.89 7.28 -1.24 -1.88 -3.43 115.58 113.26 2qpu h ASN 92 Ca 0.00 -0.39 -0.39 0.00 0.71 0.00 0.00 56.30 56.22 2qpu h ASN 92 Cb 0.47 -0.23 -0.14 0.00 0.73 0.00 0.00 38.32 39.15 2qpu h ASN 92 CO 0.00 1.04 -0.63 -1.38 -1.29 0.00 0.00 177.43 175.17 2qpu s HIS 93 N -4.68 1.66 -0.16 0.67 -3.43 -1.26 -1.18 115.29 106.91 2qpu s HIS 93 Ca -0.12 -1.01 -0.28 0.00 -0.80 0.00 0.00 55.06 52.85 2qpu s HIS 93 Cb 0.10 -1.00 0.08 0.00 -1.43 0.00 0.00 32.58 30.33 2qpu s HIS 93 CO 0.83 -0.11 0.73 0.50 -2.00 0.00 0.00 174.74 174.69 2qpu s ARG 94 N -3.92 0.92 -0.06 -0.38 3.52 -0.58 -4.74 118.95 113.71 2qpu s ARG 94 Ca 0.33 0.57 -0.12 0.00 -0.13 0.00 0.00 55.73 56.38 2qpu s ARG 94 Cb 0.07 0.44 -0.05 0.00 -1.56 0.00 0.00 34.95 33.85 2qpu s ARG 94 CO 0.12 -0.22 0.31 0.00 -0.81 0.00 0.00 175.30 174.70 2qpu s ALA 96 N -0.89 3.61 0.29 0.00 0.00 -1.26 -4.35 121.76 119.16 2qpu s ALA 96 Ca 0.20 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 2qpu s ALA 96 Cb -0.15 -2.38 0.44 0.00 0.00 0.00 0.00 23.12 21.03 2qpu s ALA 96 CO 0.09 0.12 1.83 -0.44 0.00 0.00 0.00 175.76 177.37 2qpu h ASP 97 N 6.54 0.72 -2.44 0.00 5.19 -1.84 -3.43 116.42 121.16 2qpu h ASP 97 Ca -0.42 -0.13 -0.59 0.00 -0.62 0.00 0.00 57.03 55.27 2qpu h ASP 97 Cb 1.17 -0.19 -0.14 0.00 0.18 0.00 0.00 39.33 40.35 2qpu h ASP 97 CO 0.74 0.72 -0.76 -0.31 -3.12 0.00 0.00 179.24 176.52 2qpu s TYR 98 N -5.16 2.20 0.27 4.55 2.02 -0.33 -5.02 117.35 115.88 2qpu s TYR 98 Ca -0.09 -0.37 -0.07 0.00 -0.37 0.00 0.00 57.07 56.17 2qpu s TYR 98 Cb 0.15 -0.97 -0.06 0.00 -0.40 0.00 0.00 41.96 40.69 2qpu s TYR 98 CO 0.79 0.65 0.56 0.15 -1.57 0.00 0.00 175.55 176.13 2qpu s LYS 99 N -3.47 3.69 0.00 -0.62 1.02 -1.26 -1.85 119.74 117.24 2qpu s LYS 99 Ca 0.28 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.38 2qpu s LYS 99 Cb -0.05 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 2qpu s LYS 99 CO 0.13 0.24 0.00 -0.40 -0.92 0.00 0.00 175.35 174.40 2qpu n ASP 100 N -0.69 0.00 0.20 2.83 5.75 -0.54 -4.81 116.55 119.28 2qpu n ASP 100 Ca -0.01 -0.89 0.14 0.00 -0.01 0.00 0.00 54.79 54.02 2qpu n ASP 100 Cb 0.53 0.00 0.68 0.00 -1.03 0.00 0.00 41.12 41.30 2qpu n ASP 100 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2qpu h SER 101 N 0.00 0.00 0.47 -1.12 4.64 -1.99 -0.88 113.55 114.67 2qpu h SER 101 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qpu h SER 101 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qpu h SER 101 CO 0.00 0.00 -0.33 0.54 -0.87 0.00 0.00 176.83 176.17 2qpu n ARG 102 N -2.50 0.30 -0.84 4.77 1.74 -1.26 -4.92 116.66 113.95 2qpu n ARG 102 Ca -0.00 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 2qpu n ARG 102 Cb 0.14 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 2qpu n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qpu n GLY 103 N 1.43 0.54 3.81 -0.13 0.00 -0.33 -5.04 105.19 105.47 2qpu n GLY 103 Ca 0.08 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 2qpu n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qpu s ILE 104 N -2.00 5.41 -0.94 -0.61 1.01 -1.26 -4.79 121.20 118.01 2qpu s ILE 104 Ca 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.59 2qpu s ILE 104 Cb 0.00 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 2qpu s ILE 104 CO 0.00 0.55 1.77 -0.31 0.00 0.00 0.00 174.94 176.94 2qpu s TYR 105 N -0.47 2.07 0.00 3.97 2.02 -1.26 -1.47 117.35 122.20 2qpu s TYR 105 Ca 0.12 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.92 2qpu s TYR 105 Cb -0.12 -4.28 0.00 0.00 -0.40 0.00 0.00 41.96 37.16 2qpu s TYR 105 CO 0.02 -1.82 0.49 0.00 -1.57 0.00 0.00 175.55 172.67 2qpu s ILE 107 N 0.00 4.46 0.55 0.00 -1.09 -0.77 -2.88 121.20 121.47 2qpu s ILE 107 Ca 0.00 -1.07 -0.05 0.00 -2.23 0.00 0.00 60.65 57.30 2qpu s ILE 107 Cb 0.00 -3.58 -0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2qpu s ILE 107 CO 0.00 -0.35 0.85 -0.36 -1.23 0.00 0.00 174.94 173.86 2qpu s PHE 108 N 1.51 3.30 -0.03 3.97 0.40 -0.37 -1.18 117.98 125.57 2qpu s PHE 108 Ca 0.02 0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 56.96 2qpu s PHE 108 Cb -0.21 -2.61 0.03 0.00 0.51 0.00 0.00 43.02 40.74 2qpu s PHE 108 CO 0.05 -0.68 0.05 -2.00 0.70 0.00 0.00 175.22 173.34 2qpu s GLU 109 N -4.89 -0.06 0.32 0.44 2.56 -1.26 -4.06 118.70 111.75 2qpu s GLU 109 Ca 0.52 0.29 0.17 0.00 0.00 0.00 0.00 54.97 55.95 2qpu s GLU 109 Cb -0.10 -0.40 0.36 0.00 2.00 0.00 0.00 34.13 35.99 2qpu s GLU 109 CO 0.44 -0.26 1.58 0.78 -0.56 0.00 0.00 175.26 177.24 2qpu h GLY 110 N 7.94 0.00 0.00 -1.50 0.00 -1.62 -3.30 103.07 104.59 2qpu h GLY 110 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2qpu h GLY 110 CO 0.29 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.44 2qpu n GLY 111 N 0.75 1.04 3.46 4.60 0.00 -1.26 -0.99 105.19 112.79 2qpu n GLY 111 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2qpu n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qpu s THR 112 N -2.00 2.20 0.43 2.61 -4.23 -1.26 -4.63 115.64 108.76 2qpu s THR 112 Ca 0.00 -2.30 0.11 0.00 -1.18 0.00 0.00 61.69 58.32 2qpu s THR 112 Cb 0.00 -2.35 0.21 0.00 1.34 0.00 0.00 72.50 71.71 2qpu s THR 112 CO 0.00 -0.38 2.01 0.77 -0.54 0.00 0.00 174.62 176.48 2qpu h SER 113 N 2.27 0.20 -2.23 3.99 4.64 -1.99 -3.44 113.55 116.99 2qpu h SER 113 Ca -0.40 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2qpu h SER 113 Cb 1.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2qpu h SER 113 CO 0.63 0.25 0.00 -0.90 -0.87 0.00 0.00 176.83 175.95 2qpu n ASP 114 N -4.39 0.00 -0.25 4.97 5.68 -1.26 -4.99 116.55 116.31 2qpu n ASP 114 Ca -0.01 -0.82 0.10 0.00 -0.50 0.00 0.00 54.79 53.56 2qpu n ASP 114 Cb 0.17 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.62 2qpu n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qpu n GLY 115 N 5.00 -0.42 3.69 6.12 0.00 -1.26 -4.87 105.19 113.45 2qpu n GLY 115 Ca 0.00 -0.25 -0.54 0.00 0.00 0.00 0.00 46.02 45.23 2qpu n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qpu n ARG 116 N -0.28 1.57 -1.09 1.61 1.74 -1.26 -0.68 116.66 118.27 2qpu n ARG 116 Ca 0.15 0.57 -0.03 0.00 -0.77 0.00 0.00 57.85 57.77 2qpu n ARG 116 Cb 0.18 -2.34 -0.01 0.00 -1.02 0.00 0.00 32.46 29.27 2qpu n ARG 116 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qpu n LEU 117 N 6.13 0.29 -3.49 0.55 4.77 -1.26 -3.39 117.00 120.61 2qpu n LEU 117 Ca 0.26 0.08 -0.40 0.00 -0.03 0.00 0.00 56.01 55.91 2qpu n LEU 117 Cb 0.20 -1.88 -0.01 0.00 -2.33 0.00 0.00 43.42 39.40 2qpu n LEU 117 CO 0.78 -0.68 2.82 0.47 -1.33 0.00 0.00 177.39 179.45 2qpu n ASP 118 N -0.57 7.45 -3.88 -1.43 8.00 0.15 -3.66 116.55 122.61 2qpu n ASP 118 Ca -0.03 -2.85 -0.30 0.00 0.71 0.00 0.00 54.79 52.31 2qpu n ASP 118 Cb 0.36 -1.50 0.22 0.00 -0.02 0.00 0.00 41.12 40.18 2qpu n ASP 118 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2qpu s TRP 119 N 1.03 0.79 0.00 1.24 0.51 -1.26 -4.75 118.94 116.50 2qpu s TRP 119 Ca 0.58 0.41 0.00 0.00 -2.12 0.00 0.00 56.10 54.97 2qpu s TRP 119 Cb 0.17 -3.70 0.00 0.00 -0.81 0.00 0.00 33.47 29.13 2qpu s TRP 119 CO -0.07 -3.51 0.00 0.41 -0.51 0.00 0.00 176.95 173.28 2qpu n GLY 120 N -1.92 4.12 0.37 0.98 0.00 -1.26 -1.24 105.19 106.24 2qpu n GLY 120 Ca 0.14 -1.69 0.19 0.00 0.00 0.00 0.00 46.02 44.66 2qpu n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qpu h PRO 121 N 0.00 0.00 0.00 1.61 0.11 -1.87 -1.28 132.00 130.57 2qpu h PRO 121 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qpu h PRO 121 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2qpu h PRO 121 CO 0.00 0.00 0.00 1.25 -0.21 0.00 0.00 178.00 179.04 2qpu h HIS 122 N 0.00 0.00 -0.43 0.65 2.76 -1.96 -2.09 115.15 114.08 2qpu h HIS 122 Ca 0.16 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2qpu h HIS 122 Cb 0.85 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.81 2qpu h HIS 122 CO 0.00 0.00 0.00 -1.33 -1.30 0.00 0.00 177.93 175.30 2qpu n MET 123 N -3.03 2.27 -4.04 5.26 2.81 -0.48 -4.20 117.12 115.70 2qpu n MET 123 Ca -0.01 -1.94 -0.35 0.00 -1.81 0.00 0.00 57.70 53.59 2qpu n MET 123 Cb 0.20 -1.46 -0.11 0.00 -0.71 0.00 0.00 33.22 31.14 2qpu n MET 123 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2qpu s ILE 124 N -1.44 4.35 -0.30 2.02 1.01 -0.79 -0.92 121.20 125.14 2qpu s ILE 124 Ca 0.37 -0.18 -0.44 0.00 0.00 0.00 0.00 60.65 60.41 2qpu s ILE 124 Cb 0.20 -2.97 -0.19 0.00 0.01 0.00 0.00 42.46 39.51 2qpu s ILE 124 CO 0.28 0.43 1.45 0.00 0.00 0.00 0.00 174.94 177.10 2qpu h ARG 126 N 4.63 0.00 0.00 0.00 0.11 -1.56 -0.70 114.38 116.85 2qpu h ARG 126 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2qpu h ARG 126 Cb 1.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.46 2qpu h ARG 126 CO 0.87 0.02 0.00 -0.40 0.10 0.00 0.00 179.97 180.56 2qpu n ASP 127 N -4.03 0.00 -3.93 0.08 5.75 -1.26 -3.64 116.55 109.52 2qpu n ASP 127 Ca -0.03 -0.59 -0.43 0.00 -0.01 0.00 0.00 54.79 53.73 2qpu n ASP 127 Cb 0.10 -0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 2qpu n ASP 127 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2qpu n ASP 128 N -1.10 5.78 0.33 -1.12 -0.08 -0.27 -4.82 116.55 115.26 2qpu n ASP 128 Ca 0.18 -3.27 0.16 0.00 -1.51 0.00 0.00 54.79 50.35 2qpu n ASP 128 Cb 0.14 -1.37 0.88 0.00 2.34 0.00 0.00 41.12 43.10 2qpu n ASP 128 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2qpu h THR 129 N 3.57 0.00 0.00 5.18 1.35 -1.81 -1.51 112.91 119.70 2qpu h THR 129 Ca 0.30 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 66.11 2qpu h THR 129 Cb 0.62 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 2qpu h THR 129 CO 1.48 0.00 -0.22 0.50 -0.25 0.00 0.00 175.52 177.03 2qpu h LYS 130 N 0.00 0.00 0.00 4.72 3.64 -1.92 -3.37 116.57 119.65 2qpu h LYS 130 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qpu h LYS 130 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2qpu h LYS 130 CO 0.00 0.22 -0.74 0.66 -2.27 0.00 0.00 179.45 177.32 2qpu n TYR 131 N -3.76 0.00 -1.13 1.91 4.01 -0.66 -5.00 117.16 112.54 2qpu n TYR 131 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 2qpu n TYR 131 Cb 0.33 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.55 2qpu n TYR 131 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2qpu s SER 132 N -2.45 2.30 -0.06 7.72 1.04 -0.66 -4.86 113.70 116.73 2qpu s SER 132 Ca 0.00 1.12 0.10 0.00 0.48 0.00 0.00 55.95 57.65 2qpu s SER 132 Cb 0.00 -1.75 0.27 0.00 0.10 0.00 0.00 66.02 64.64 2qpu s SER 132 CO 0.00 -3.33 1.21 -0.90 0.98 0.00 0.00 173.24 171.20 2qpu n ASP 133 N -4.29 2.82 -0.02 7.02 5.75 -1.26 -4.92 116.55 121.64 2qpu n ASP 133 Ca 0.06 -2.36 -0.00 0.00 -0.01 0.00 0.00 54.79 52.47 2qpu n ASP 133 Cb 0.58 -0.27 -0.00 0.00 -1.03 0.00 0.00 41.12 40.40 2qpu n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qpu n GLY 134 N -0.23 0.36 0.01 6.12 0.00 -1.26 -4.91 105.19 105.27 2qpu n GLY 134 Ca 0.11 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.21 2qpu n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qpu n THR 135 N -2.68 0.00 -1.73 2.61 -2.24 -1.26 -4.95 114.28 104.04 2qpu n THR 135 Ca -0.00 -0.41 -0.26 0.00 -2.27 0.00 0.00 64.05 61.10 2qpu n THR 135 Cb 0.17 0.17 0.19 0.00 -2.10 0.00 0.00 70.33 68.75 2qpu n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qpu n ALA 136 N -2.13 -1.55 -1.91 6.98 0.00 -1.26 -5.00 120.51 115.64 2qpu n ALA 136 Ca -0.03 -1.54 -0.29 0.00 0.00 0.00 0.00 53.44 51.59 2qpu n ALA 136 Cb 0.53 -0.08 0.11 0.00 0.00 0.00 0.00 19.45 20.01 2qpu n ALA 136 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qpu s ASN 137 N -5.21 4.17 0.45 0.00 0.01 -1.26 -4.29 114.94 108.81 2qpu s ASN 137 Ca 0.67 0.66 -0.15 0.00 -0.71 0.00 0.00 52.86 53.33 2qpu s ASN 137 Cb -0.02 -1.05 -0.08 0.00 0.41 0.00 0.00 41.25 40.51 2qpu s ASN 137 CO 0.47 -2.11 0.89 -0.76 -1.51 0.00 0.00 177.10 174.09 2qpu s LEU 138 N -5.66 3.77 0.33 0.60 1.43 -1.26 -1.89 118.68 116.00 2qpu s LEU 138 Ca 0.65 1.43 -0.29 0.00 -1.03 0.00 0.00 54.13 54.89 2qpu s LEU 138 Cb -0.09 -4.33 -0.11 0.00 0.03 0.00 0.00 46.19 41.69 2qpu s LEU 138 CO 0.50 -0.46 1.57 -0.67 0.23 0.00 0.00 176.35 177.52 2qpu n ASP 139 N -1.24 3.90 -0.11 2.29 -0.08 -1.26 -4.89 116.55 115.16 2qpu n ASP 139 Ca 0.05 1.18 0.13 0.00 -1.51 0.00 0.00 54.79 54.64 2qpu n ASP 139 Cb 0.54 -1.61 0.44 0.00 2.34 0.00 0.00 41.12 42.82 2qpu n ASP 139 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2qpu n THR 140 N 1.54 0.00 -2.53 5.18 -2.24 -1.26 -4.95 114.28 110.03 2qpu n THR 140 Ca 0.06 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qpu n THR 140 Cb 0.38 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2qpu n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qpu n GLY 141 N 1.38 4.51 3.78 3.38 0.00 -1.18 -3.16 105.19 113.90 2qpu n GLY 141 Ca 0.10 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 2qpu n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qpu s ALA 142 N -1.67 2.29 0.09 4.61 0.00 -0.11 -4.80 121.76 122.16 2qpu s ALA 142 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.07 2qpu s ALA 142 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 2qpu s ALA 142 CO 0.00 -1.67 0.20 0.34 0.00 0.00 0.00 175.76 174.63 2qpu s ASP 143 N -3.60 6.17 -0.33 0.00 2.15 -1.26 -4.48 116.67 115.32 2qpu s ASP 143 Ca 0.60 0.18 -0.04 0.00 0.43 0.00 0.00 52.55 53.72 2qpu s ASP 143 Cb -0.16 -1.84 0.05 0.00 -0.30 0.00 0.00 42.92 40.67 2qpu s ASP 143 CO 0.56 0.14 0.07 0.12 -0.17 0.00 0.00 175.17 175.88 2qpu s PHE 144 N -1.56 3.28 0.53 -5.34 5.36 -1.26 -5.01 117.98 113.97 2qpu s PHE 144 Ca 0.34 -1.65 0.18 0.00 -0.96 0.00 0.00 56.93 54.83 2qpu s PHE 144 Cb -0.12 -2.27 1.32 0.00 -0.34 0.00 0.00 43.02 41.61 2qpu s PHE 144 CO 0.27 -0.77 2.15 0.00 -1.46 0.00 0.00 175.22 175.41 2qpu h ALA 145 N 8.13 1.98 0.00 11.12 0.00 -2.00 -3.07 119.26 135.41 2qpu h ALA 145 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qpu h ALA 145 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qpu h ALA 145 CO 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2qpu n ALA 146 N -2.52 2.50 -3.38 0.00 0.00 -1.26 -4.91 120.51 110.93 2qpu n ALA 146 Ca -0.03 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2qpu n ALA 146 Cb 0.11 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 2qpu n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qpu s ALA 147 N -2.51 -1.16 0.20 0.00 0.00 -1.16 -5.07 121.76 112.05 2qpu s ALA 147 Ca 0.31 -0.02 -0.32 0.00 0.00 0.00 0.00 51.96 51.93 2qpu s ALA 147 Cb 0.20 0.85 -0.12 0.00 0.00 0.00 0.00 23.12 24.06 2qpu s ALA 147 CO 0.45 -0.81 1.71 -2.14 0.00 0.00 0.00 175.76 174.96 2qpu s PRO 148 N -3.84 4.14 -0.05 0.00 0.02 -1.22 -4.68 135.00 129.37 2qpu s PRO 148 Ca 0.07 2.58 -0.21 0.00 0.02 0.00 0.00 61.00 63.45 2qpu s PRO 148 Cb -0.01 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.37 2qpu s PRO 148 CO -0.05 -0.74 0.61 -0.51 -0.33 0.00 0.00 177.00 175.98 2qpu s ASP 149 N 1.18 6.92 0.21 2.53 1.11 -1.26 -1.52 116.67 125.83 2qpu s ASP 149 Ca 0.74 1.10 -0.30 0.00 0.18 0.00 0.00 52.55 54.27 2qpu s ASP 149 Cb -0.49 -2.36 -0.08 0.00 1.07 0.00 0.00 42.92 41.05 2qpu s ASP 149 CO 0.32 0.01 0.95 -0.63 1.18 0.00 0.00 175.17 177.00 2qpu s ILE 150 N 0.31 4.17 -0.96 0.77 -1.09 -0.32 -1.16 121.20 122.91 2qpu s ILE 150 Ca 0.32 2.07 -0.21 0.00 -2.23 0.00 0.00 60.65 60.60 2qpu s ILE 150 Cb -0.17 -4.32 0.09 0.00 -1.58 0.00 0.00 42.46 36.48 2qpu s ILE 150 CO 0.16 0.45 1.28 -0.62 -1.23 0.00 0.00 174.94 174.98 2qpu s ASP 151 N -0.85 6.55 0.00 3.58 2.15 -0.09 -4.60 116.67 123.41 2qpu s ASP 151 Ca 0.43 -1.71 0.11 0.00 0.43 0.00 0.00 52.55 51.80 2qpu s ASP 151 Cb -0.25 -2.48 0.48 0.00 -0.30 0.00 0.00 42.92 40.37 2qpu s ASP 151 CO 0.32 -1.30 1.30 1.41 -0.17 0.00 0.00 175.17 176.73 2qpu n HIS 152 N 7.74 0.00 0.85 -5.34 8.25 -1.26 -1.52 115.22 123.94 2qpu n HIS 152 Ca 0.27 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.86 2qpu n HIS 152 Cb 0.50 -0.42 0.40 0.00 1.12 0.00 0.00 29.99 31.59 2qpu n HIS 152 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qpu n LEU 153 N -1.42 0.42 -4.71 2.41 4.77 -1.26 -4.60 117.00 112.60 2qpu n LEU 153 Ca 0.03 0.35 -0.42 0.00 -0.03 0.00 0.00 56.01 55.94 2qpu n LEU 153 Cb 0.11 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 2qpu n LEU 153 CO 0.09 -0.02 0.93 0.21 -1.33 0.00 0.00 177.39 177.27 2qpu s ASN 154 N -3.54 7.04 0.22 -1.43 3.84 -0.57 -4.94 114.94 115.56 2qpu s ASN 154 Ca 0.11 2.02 -0.08 0.00 0.21 0.00 0.00 52.86 55.12 2qpu s ASN 154 Cb 0.16 -2.57 0.19 0.00 -0.55 0.00 0.00 41.25 38.48 2qpu s ASN 154 CO 0.62 -0.52 1.87 -0.78 -2.79 0.00 0.00 177.10 175.49 2qpu h ASP 155 N 6.99 1.04 -0.68 -4.21 3.58 -1.88 -2.24 116.42 119.01 2qpu h ASP 155 Ca -0.40 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 56.90 2qpu h ASP 155 Cb 1.20 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.96 2qpu h ASP 155 CO 0.83 0.80 0.12 -0.09 -2.88 0.00 0.00 179.24 178.03 2qpu h ARG 156 N 1.18 1.12 -0.01 0.28 2.43 -1.96 -1.55 114.38 115.86 2qpu h ARG 156 Ca 0.31 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2qpu h ARG 156 Cb -0.04 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2qpu h ARG 156 CO -0.06 1.01 -0.05 0.28 -1.51 0.00 0.00 179.97 179.64 2qpu h VAL 157 N 1.05 0.86 -0.22 0.20 2.07 -1.79 0.24 116.25 118.66 2qpu h VAL 157 Ca 0.21 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.76 2qpu h VAL 157 Cb 0.43 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2qpu h VAL 157 CO 0.01 0.00 0.05 1.56 0.02 0.00 0.00 177.57 179.21 2qpu h GLN 158 N -0.09 0.14 -0.04 1.57 4.20 -1.22 -0.76 115.11 118.91 2qpu h GLN 158 Ca 0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2qpu h GLN 158 Cb 0.12 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 2qpu h GLN 158 CO -0.07 0.09 0.02 -0.09 -0.67 0.00 0.00 178.83 178.12 2qpu h ARG 159 N 0.14 0.05 -0.12 1.46 2.43 -1.07 -1.80 114.38 115.48 2qpu h ARG 159 Ca 0.10 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 2qpu h ARG 159 Cb 0.09 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2qpu h ARG 159 CO -0.12 0.12 -0.46 0.93 -1.51 0.00 0.00 179.97 178.93 2qpu h GLU 160 N -0.03 0.28 -0.18 0.20 5.08 -0.86 -1.24 114.58 117.82 2qpu h GLU 160 Ca 0.01 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.04 2qpu h GLU 160 Cb 0.09 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2qpu h GLU 160 CO -0.00 0.69 -0.64 -0.07 -1.00 0.00 0.00 179.01 177.98 2qpu h LEU 161 N 0.23 0.75 -0.89 1.33 3.38 -1.11 -0.99 115.31 118.01 2qpu h LEU 161 Ca 0.02 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 2qpu h LEU 161 Cb 0.90 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2qpu h LEU 161 CO 0.07 1.20 -0.11 0.11 0.09 0.00 0.00 178.44 179.81 2qpu h LYS 162 N 0.48 0.70 -0.52 1.13 1.57 -1.20 0.12 116.57 118.85 2qpu h LYS 162 Ca -0.01 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 2qpu h LYS 162 Cb 1.23 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 2qpu h LYS 162 CO 0.13 0.79 0.18 1.49 -0.57 0.00 0.00 179.45 181.46 2qpu h GLU 163 N 0.64 0.79 -0.45 3.15 4.81 -1.01 -0.18 114.58 122.32 2qpu h GLU 163 Ca 0.11 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 2qpu h GLU 163 Cb 0.55 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 2qpu h GLU 163 CO 0.03 0.72 0.06 2.35 -0.73 0.00 0.00 179.01 181.44 2qpu h TRP 164 N 0.70 0.81 -0.73 0.92 7.01 -0.79 -1.66 115.95 122.21 2qpu h TRP 164 Ca 0.17 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 2qpu h TRP 164 Cb 0.25 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.05 2qpu h TRP 164 CO 0.01 0.77 0.41 -0.07 -2.79 0.00 0.00 178.44 176.77 2qpu h LEU 165 N 0.62 0.91 -1.37 0.65 3.38 -0.51 -0.80 115.31 118.19 2qpu h LEU 165 Ca 0.14 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2qpu h LEU 165 Cb 0.41 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2qpu h LEU 165 CO 0.01 0.74 -0.18 -0.07 0.09 0.00 0.00 178.44 179.03 2qpu h LEU 166 N 1.01 0.19 -0.60 1.67 3.38 -0.85 -2.16 115.31 117.95 2qpu h LEU 166 Ca 0.26 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 2qpu h LEU 166 Cb 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2qpu h LEU 166 CO -0.04 0.39 -0.35 -0.25 0.09 0.00 0.00 178.44 178.28 2qpu h TRP 167 N 0.19 0.86 -0.43 1.13 7.01 -0.35 -0.29 115.95 124.06 2qpu h TRP 167 Ca 0.04 -0.24 0.01 0.00 2.11 0.00 0.00 58.89 60.81 2qpu h TRP 167 Cb 0.43 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.28 2qpu h TRP 167 CO 0.01 0.97 0.29 -0.07 -2.79 0.00 0.00 178.44 176.85 2qpu h LEU 168 N 0.61 0.48 0.08 0.65 3.38 -0.53 0.26 115.31 120.24 2qpu h LEU 168 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qpu h LEU 168 Cb 0.88 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2qpu h LEU 168 CO 0.08 0.34 -0.04 0.11 0.09 0.00 0.00 178.44 179.02 2qpu h LYS 169 N 0.56 -0.11 -0.26 1.13 1.57 -1.17 -1.87 116.57 116.42 2qpu h LYS 169 Ca 0.16 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 2qpu h LYS 169 Cb -0.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2qpu h LYS 169 CO -0.04 0.39 -0.39 0.66 -0.57 0.00 0.00 179.45 179.50 2qpu h SER 170 N -0.92 0.65 0.00 0.86 4.64 -0.91 -2.12 113.55 115.75 2qpu h SER 170 Ca -0.01 -0.29 -0.24 0.00 -0.47 0.00 0.00 61.79 60.78 2qpu h SER 170 Cb 0.55 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 2qpu h SER 170 CO 0.02 0.97 -1.38 -0.67 -0.87 0.00 0.00 176.83 174.90 2qpu n ASP 171 N -4.04 1.87 0.03 4.97 -0.08 0.91 -4.58 116.55 115.64 2qpu n ASP 171 Ca -0.02 0.43 -0.06 0.00 -1.51 0.00 0.00 54.79 53.64 2qpu n ASP 171 Cb 0.51 -0.93 -0.11 0.00 2.34 0.00 0.00 41.12 42.93 2qpu n ASP 171 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2qpu h LEU 172 N -1.00 0.00 0.00 -2.67 3.38 -1.55 -3.49 115.31 109.99 2qpu h LEU 172 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2qpu h LEU 172 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2qpu h LEU 172 CO -0.22 0.89 0.00 0.61 0.09 0.00 0.00 178.44 179.81 2qpu n GLY 173 N 1.42 1.02 3.76 0.83 0.00 -0.75 -4.72 105.19 106.76 2qpu n GLY 173 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 2qpu n GLY 173 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qpu s PHE 174 N -2.00 2.61 -0.15 1.61 0.08 -0.92 -4.76 117.98 114.44 2qpu s PHE 174 Ca 0.00 1.36 0.11 0.00 0.12 0.00 0.00 56.93 58.52 2qpu s PHE 174 Cb 0.00 -3.75 -0.17 0.00 -0.57 0.00 0.00 43.02 38.52 2qpu s PHE 174 CO 0.00 -2.46 0.01 -0.25 -0.10 0.00 0.00 175.22 172.42 2qpu n ASP 175 N -0.21 1.53 -3.86 1.36 8.00 -0.18 -4.30 116.55 118.89 2qpu n ASP 175 Ca 0.05 -0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 2qpu n ASP 175 Cb 0.44 0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 42.13 2qpu n ASP 175 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qpu s ALA 176 N -2.36 0.73 0.20 2.24 0.00 -0.94 -2.33 121.76 119.30 2qpu s ALA 176 Ca -0.11 -1.45 0.11 0.00 0.00 0.00 0.00 51.96 50.51 2qpu s ALA 176 Cb 0.05 1.25 -0.04 0.00 0.00 0.00 0.00 23.12 24.38 2qpu s ALA 176 CO 0.58 -0.72 -0.21 -1.58 0.00 0.00 0.00 175.76 173.83 2qpu s TRP 177 N -3.82 2.13 -0.20 0.00 0.23 -0.84 -0.85 118.94 115.60 2qpu s TRP 177 Ca 0.32 -0.39 0.00 0.00 -2.03 0.00 0.00 56.10 54.00 2qpu s TRP 177 Cb 0.03 -1.03 0.05 0.00 0.03 0.00 0.00 33.47 32.55 2qpu s TRP 177 CO 0.14 0.49 -0.06 0.50 0.96 0.00 0.00 176.95 178.98 2qpu s ARG 178 N -2.90 1.59 -0.47 4.98 3.00 -0.30 -1.37 118.95 123.48 2qpu s ARG 178 Ca 0.21 -0.76 -0.24 0.00 -1.00 0.00 0.00 55.73 53.93 2qpu s ARG 178 Cb -0.06 -2.33 0.03 0.00 0.00 0.00 0.00 34.95 32.59 2qpu s ARG 178 CO 0.10 -0.51 0.88 -0.51 0.00 0.00 0.00 175.30 175.26 2qpu s LEU 179 N 1.50 4.12 0.26 -0.88 1.43 0.02 -0.07 118.68 125.07 2qpu s LEU 179 Ca -0.02 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 2qpu s LEU 179 Cb -0.17 -3.04 -0.09 0.00 0.03 0.00 0.00 46.19 42.91 2qpu s LEU 179 CO -0.07 -1.04 1.24 -0.62 0.23 0.00 0.00 176.35 176.09 2qpu s ASP 180 N 2.33 6.98 -1.22 2.29 2.15 -0.38 -0.87 116.67 127.95 2qpu s ASP 180 Ca 0.33 2.44 -0.32 0.00 0.43 0.00 0.00 52.55 55.43 2qpu s ASP 180 Cb -0.11 -2.63 0.04 0.00 -0.30 0.00 0.00 42.92 39.92 2qpu s ASP 180 CO 0.24 -0.41 0.67 0.33 -0.17 0.00 0.00 175.17 175.83 2qpu n PHE 181 N 1.62 -1.45 0.29 -5.34 7.35 -1.26 -4.66 117.46 114.01 2qpu n PHE 181 Ca 0.02 0.14 0.11 0.00 -0.76 0.00 0.00 57.45 56.95 2qpu n PHE 181 Cb 0.43 -2.88 0.51 0.00 0.35 0.00 0.00 39.48 37.89 2qpu n PHE 181 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qpu n ALA 182 N -4.94 1.38 1.16 3.13 0.00 -0.51 -0.65 120.51 120.09 2qpu n ALA 182 Ca -0.12 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.57 2qpu n ALA 182 Cb 0.57 -1.34 0.63 0.00 0.00 0.00 0.00 19.45 19.31 2qpu n ALA 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qpu n ARG 183 N -2.20 0.33 0.23 0.00 5.12 -1.26 -2.97 116.66 115.91 2qpu n ARG 183 Ca 0.01 0.05 0.15 0.00 -1.93 0.00 0.00 57.85 56.12 2qpu n ARG 183 Cb 0.14 -1.50 0.45 0.00 -1.16 0.00 0.00 32.46 30.39 2qpu n ARG 183 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2qpu h GLY 184 N 4.18 0.00 -3.04 -0.13 0.00 -1.11 -0.27 103.07 102.71 2qpu h GLY 184 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2qpu h GLY 184 CO 0.00 0.00 -0.37 -2.52 0.00 0.00 0.00 176.54 173.65 2qpu s TYR 185 N -3.43 0.24 0.72 5.60 1.13 -1.16 -3.03 117.35 117.42 2qpu s TYR 185 Ca 0.04 -0.65 -0.14 0.00 -1.41 0.00 0.00 57.07 54.92 2qpu s TYR 185 Cb 0.08 -0.07 0.03 0.00 -1.10 0.00 0.00 41.96 40.90 2qpu s TYR 185 CO 0.59 -0.59 1.13 -1.54 -2.51 0.00 0.00 175.55 172.63 2qpu s SER 186 N -2.89 4.61 0.52 -0.18 1.04 -1.19 -4.72 113.70 110.89 2qpu s SER 186 Ca 0.09 2.04 0.28 0.00 0.48 0.00 0.00 55.95 58.84 2qpu s SER 186 Cb 0.05 -2.55 1.45 0.00 0.10 0.00 0.00 66.02 65.06 2qpu s SER 186 CO -0.08 -1.97 2.07 1.55 0.98 0.00 0.00 173.24 175.79 2qpu h PRO 187 N -0.45 0.00 -0.50 4.02 0.13 -1.91 -1.19 132.00 132.10 2qpu h PRO 187 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 2qpu h PRO 187 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2qpu h PRO 187 CO 0.52 0.12 0.08 0.93 -0.23 0.00 0.00 178.00 179.41 2qpu h GLU 188 N 0.00 0.79 -0.03 0.86 3.07 -1.91 0.30 114.58 117.66 2qpu h GLU 188 Ca -0.00 -0.18 -0.21 0.00 -0.50 0.00 0.00 59.36 58.47 2qpu h GLU 188 Cb 0.35 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2qpu h GLU 188 CO 0.02 0.75 -0.87 0.52 -1.40 0.00 0.00 179.01 178.03 2qpu h MET 189 N 0.76 0.43 -0.78 2.33 2.86 -1.60 -3.01 114.93 115.92 2qpu h MET 189 Ca 0.16 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 2qpu h MET 189 Cb 0.35 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2qpu h MET 189 CO 0.01 1.08 0.40 0.00 1.06 0.00 0.00 176.91 179.46 2qpu h ALA 190 N 0.79 1.24 -0.87 6.32 0.00 -0.84 -1.96 119.26 123.95 2qpu h ALA 190 Ca -0.06 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2qpu h ALA 190 Cb 1.48 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2qpu h ALA 190 CO 0.15 0.60 0.57 -0.22 0.00 0.00 0.00 179.25 180.35 2qpu h LYS 191 N 1.10 1.01 -0.52 0.00 3.64 -0.84 -0.56 116.57 120.40 2qpu h LYS 191 Ca 0.27 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 2qpu h LYS 191 Cb 0.06 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.60 2qpu h LYS 191 CO -0.04 0.67 0.25 0.28 -2.27 0.00 0.00 179.45 178.34 2qpu h VAL 192 N 1.04 0.92 0.05 2.00 2.07 -1.23 -0.24 116.25 120.86 2qpu h VAL 192 Ca 0.35 -0.16 -0.25 0.00 0.82 0.00 0.00 66.70 67.46 2qpu h VAL 192 Cb 0.08 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2qpu h VAL 192 CO -0.11 0.09 -1.06 1.88 0.02 0.00 0.00 177.57 178.39 2qpu h TYR 193 N 0.48 0.64 0.12 1.57 0.05 -1.35 -1.91 116.97 116.57 2qpu h TYR 193 Ca 0.24 -0.39 -0.01 0.00 0.05 0.00 0.00 58.73 58.63 2qpu h TYR 193 Cb 0.18 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.86 2qpu h TYR 193 CO -0.12 1.23 -0.06 0.82 -1.05 0.00 0.00 178.16 178.99 2qpu h ILE 194 N 0.20 1.07 0.00 -2.88 2.04 -0.93 -2.71 117.51 114.30 2qpu h ILE 194 Ca -0.11 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 2qpu h ILE 194 Cb 1.72 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 2qpu h ILE 194 CO 0.18 0.20 -0.29 0.44 0.00 0.00 0.00 178.15 178.68 2qpu h ASP 195 N -0.56 0.00 0.95 1.72 3.32 -1.16 -1.21 116.42 119.47 2qpu h ASP 195 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2qpu h ASP 195 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2qpu h ASP 195 CO 0.03 0.29 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 2qpu n GLY 196 N -0.54 -1.41 0.00 2.75 0.00 -0.72 -3.80 105.19 101.46 2qpu n GLY 196 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2qpu n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qpu n THR 197 N -1.65 0.00 -3.97 2.61 -2.24 -0.98 -4.98 114.28 103.07 2qpu n THR 197 Ca 0.06 -0.37 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 2qpu n THR 197 Cb 0.31 1.14 0.01 0.00 -2.10 0.00 0.00 70.33 69.69 2qpu n THR 197 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2qpu n SER 198 N -0.35 -3.60 -4.84 3.42 7.64 -0.49 -4.93 113.62 110.47 2qpu n SER 198 Ca 0.00 -1.07 -0.31 0.00 1.01 0.00 0.00 58.87 58.49 2qpu n SER 198 Cb 0.03 -1.35 0.02 0.00 -1.01 0.00 0.00 64.21 61.91 2qpu n SER 198 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2qpu s PRO 199 N -6.67 3.36 0.46 1.43 0.04 -1.26 -4.93 135.00 127.43 2qpu s PRO 199 Ca 0.35 0.88 0.13 0.00 0.04 0.00 0.00 61.00 62.39 2qpu s PRO 199 Cb -0.19 -2.05 1.05 0.00 0.04 0.00 0.00 34.50 33.35 2qpu s PRO 199 CO 0.82 -0.76 2.06 0.66 0.04 0.00 0.00 177.00 179.82 2qpu h SER 200 N -0.30 0.14 -4.73 6.66 4.64 -1.82 -3.45 113.55 114.69 2qpu h SER 200 Ca -0.44 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 60.91 2qpu h SER 200 Cb 1.20 -0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 63.10 2qpu h SER 200 CO 0.60 0.17 0.38 -1.48 -0.87 0.00 0.00 176.83 175.63 2qpu s LEU 201 N -9.04 -0.46 -0.31 5.97 0.05 -1.26 -4.93 118.68 108.70 2qpu s LEU 201 Ca -0.06 0.12 -0.02 0.00 0.05 0.00 0.00 54.13 54.23 2qpu s LEU 201 Cb 0.17 2.24 0.12 0.00 -2.05 0.00 0.00 46.19 46.67 2qpu s LEU 201 CO 0.70 -0.69 0.21 0.00 -0.55 0.00 0.00 176.35 176.01 2qpu s ALA 202 N -2.88 0.37 -0.25 1.48 0.00 -0.33 -1.99 121.76 118.16 2qpu s ALA 202 Ca 0.01 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 2qpu s ALA 202 Cb -0.01 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 2qpu s ALA 202 CO -0.07 -1.83 0.58 0.54 0.00 0.00 0.00 175.76 174.98 2qpu s VAL 203 N 1.83 5.03 -0.05 0.00 0.11 -0.47 -0.89 120.40 125.96 2qpu s VAL 203 Ca 0.12 1.02 -0.05 0.00 -2.93 0.00 0.00 61.98 60.15 2qpu s VAL 203 Cb -0.17 -3.89 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 2qpu s VAL 203 CO -0.23 0.07 0.17 0.00 -3.33 0.00 0.00 175.10 171.78 2qpu s ALA 204 N 2.33 3.92 -0.77 1.54 0.00 0.03 -0.80 121.76 128.01 2qpu s ALA 204 Ca 0.24 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 51.30 2qpu s ALA 204 Cb -0.16 -1.93 0.10 0.00 0.00 0.00 0.00 23.12 21.14 2qpu s ALA 204 CO 0.09 0.69 1.00 -2.00 0.00 0.00 0.00 175.76 175.54 2qpu s GLU 205 N -1.59 3.33 -0.49 0.00 2.12 -0.05 -2.66 118.70 119.36 2qpu s GLU 205 Ca 0.23 -1.34 -0.04 0.00 0.36 0.00 0.00 54.97 54.17 2qpu s GLU 205 Cb -0.12 -4.55 0.13 0.00 0.26 0.00 0.00 34.13 29.85 2qpu s GLU 205 CO 0.13 -1.75 0.30 0.08 -0.54 0.00 0.00 175.26 173.48 2qpu s VAL 206 N 3.19 3.58 -0.36 3.70 1.01 -1.26 -1.42 120.40 128.84 2qpu s VAL 206 Ca 0.25 -2.30 -0.05 0.00 0.00 0.00 0.00 61.98 59.88 2qpu s VAL 206 Cb -0.12 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 32.92 2qpu s VAL 206 CO 0.00 -0.77 0.13 0.86 0.00 0.00 0.00 175.10 175.33 2qpu s TRP 207 N 0.80 3.33 0.13 5.22 -0.11 -1.26 -4.87 118.94 122.18 2qpu s TRP 207 Ca 0.11 -1.69 0.05 0.00 1.22 0.00 0.00 56.10 55.79 2qpu s TRP 207 Cb -0.22 -2.53 -0.04 0.00 -1.50 0.00 0.00 33.47 29.18 2qpu s TRP 207 CO -0.04 -0.81 0.06 -0.51 -4.62 0.00 0.00 176.95 171.03 2qpu s ASP 208 N 1.58 5.20 0.41 5.86 1.01 -1.26 -5.02 116.67 124.45 2qpu s ASP 208 Ca 0.00 -0.19 -0.26 0.00 0.71 0.00 0.00 52.55 52.81 2qpu s ASP 208 Cb -0.21 -1.28 -0.09 0.00 1.01 0.00 0.00 42.92 42.35 2qpu s ASP 208 CO 0.01 0.12 1.38 0.21 0.21 0.00 0.00 175.17 177.10 2qpu s ASN 209 N -2.72 6.23 -0.22 0.27 3.04 -1.26 -5.00 114.94 115.28 2qpu s ASN 209 Ca 0.28 2.82 -0.09 0.00 0.04 0.00 0.00 52.86 55.92 2qpu s ASN 209 Cb -0.11 -2.65 -0.04 0.00 -1.54 0.00 0.00 41.25 36.91 2qpu s ASN 209 CO 0.21 -0.92 0.11 -0.32 -3.04 0.00 0.00 177.10 173.14 2qpu s MET 210 N -2.23 4.01 0.27 0.43 -2.45 -1.26 -5.00 119.30 113.08 2qpu s MET 210 Ca 0.56 -0.31 -0.30 0.00 -1.25 0.00 0.00 55.69 54.39 2qpu s MET 210 Cb -0.42 -3.39 -0.11 0.00 1.25 0.00 0.00 34.83 32.16 2qpu s MET 210 CO 0.55 0.13 1.50 0.00 1.05 0.00 0.00 175.02 178.25 2qpu s ALA 211 N 0.81 3.67 0.41 4.11 0.00 -1.26 -4.95 121.76 124.55 2qpu s ALA 211 Ca 0.06 1.44 0.04 0.00 0.00 0.00 0.00 51.96 53.49 2qpu s ALA 211 Cb -0.13 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 2qpu s ALA 211 CO 0.02 -0.85 0.11 0.95 0.00 0.00 0.00 175.76 175.99 2qpu s THR 212 N -0.08 0.69 0.44 0.00 -4.23 -1.26 -1.42 115.64 109.78 2qpu s THR 212 Ca 0.60 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.17 2qpu s THR 212 Cb -0.44 -2.37 0.08 0.00 1.34 0.00 0.00 72.50 71.10 2qpu s THR 212 CO 0.46 0.00 0.60 0.61 -0.54 0.00 0.00 174.62 175.75 2qpu n GLY 213 N -0.92 1.76 0.28 3.99 0.00 0.63 -4.76 105.19 106.16 2qpu n GLY 213 Ca -0.07 -2.17 0.11 0.00 0.00 0.00 0.00 46.02 43.90 2qpu n GLY 213 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qpu h GLY 214 N -0.01 0.00 0.33 -0.02 0.00 -2.02 -0.97 103.07 100.38 2qpu h GLY 214 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2qpu h GLY 214 CO 0.28 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.91 2qpu n ASP 215 N -4.18 0.61 0.00 0.19 5.68 -1.26 -4.90 116.55 112.69 2qpu n ASP 215 Ca -0.03 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 2qpu n ASP 215 Cb 0.09 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2qpu n ASP 215 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qpu n GLY 216 N 1.03 1.62 3.76 6.12 0.00 -0.37 -5.03 105.19 112.33 2qpu n GLY 216 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2qpu n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qpu s LYS 217 N -0.36 4.67 0.68 1.61 1.02 -1.26 -4.69 119.74 121.40 2qpu s LYS 217 Ca 0.00 1.59 -0.16 0.00 0.02 0.00 0.00 55.97 57.41 2qpu s LYS 217 Cb 0.00 -3.10 0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2qpu s LYS 217 CO 0.00 0.30 1.20 -1.25 -0.92 0.00 0.00 175.35 174.68 2qpu s PRO 218 N -1.54 2.48 0.52 -1.68 0.04 -1.26 -0.27 135.00 133.29 2qpu s PRO 218 Ca 0.45 1.75 -0.20 0.00 0.04 0.00 0.00 61.00 63.04 2qpu s PRO 218 Cb -0.27 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 2qpu s PRO 218 CO 0.34 -1.57 1.11 -0.80 0.04 0.00 0.00 177.00 176.12 2qpu s ASN 219 N -1.95 5.89 0.15 6.66 0.01 -0.51 -4.72 114.94 120.47 2qpu s ASN 219 Ca 0.75 2.13 -0.16 0.00 -0.71 0.00 0.00 52.86 54.86 2qpu s ASN 219 Cb -0.29 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 38.80 2qpu s ASN 219 CO 0.41 -1.10 1.78 0.22 -1.51 0.00 0.00 177.10 176.90 2qpu h TYR 220 N 1.34 0.52 -3.18 2.20 3.20 -1.93 -3.38 116.97 115.74 2qpu h TYR 220 Ca -0.50 0.00 -0.57 0.00 3.14 0.00 0.00 58.73 60.80 2qpu h TYR 220 Cb 1.25 -0.17 -0.09 0.00 1.54 0.00 0.00 36.73 39.26 2qpu h TYR 220 CO 0.53 0.36 0.85 0.34 -1.64 0.00 0.00 178.16 178.60 2qpu s ASP 221 N -5.62 6.41 -0.23 -2.11 -1.08 -1.26 -4.86 116.67 107.92 2qpu s ASP 221 Ca -0.13 -0.05 0.13 0.00 -0.52 0.00 0.00 52.55 51.98 2qpu s ASP 221 Cb 0.11 -2.52 0.49 0.00 -1.46 0.00 0.00 42.92 39.54 2qpu s ASP 221 CO 0.73 -1.41 1.40 0.00 0.52 0.00 0.00 175.17 176.41 2qpu n GLN 222 N 8.15 2.13 -0.33 4.34 1.13 -1.26 -4.74 117.38 126.80 2qpu n GLN 222 Ca 0.06 -3.00 0.02 0.00 -1.94 0.00 0.00 57.00 52.14 2qpu n GLN 222 Cb 0.48 -1.78 0.20 0.00 0.11 0.00 0.00 30.24 29.26 2qpu n GLN 222 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2qpu h ASP 223 N 1.16 0.98 -0.66 1.08 5.19 -1.89 -1.61 116.42 120.68 2qpu h ASP 223 Ca 0.11 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 2qpu h ASP 223 Cb 1.48 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.75 2qpu h ASP 223 CO 0.27 0.65 0.28 0.00 -3.12 0.00 0.00 179.24 177.32 2qpu h ALA 224 N 1.47 1.20 -0.08 3.45 0.00 -1.99 0.12 119.26 123.43 2qpu h ALA 224 Ca 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2qpu h ALA 224 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2qpu h ALA 224 CO -0.14 0.58 -0.02 1.25 0.00 0.00 0.00 179.25 180.93 2qpu h HIS 225 N 0.98 0.18 0.00 0.00 -0.00 -1.68 -2.34 115.15 112.29 2qpu h HIS 225 Ca 0.23 -0.04 -0.09 0.00 -0.00 0.00 0.00 60.37 60.48 2qpu h HIS 225 Cb 0.18 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 2qpu h HIS 225 CO 0.01 0.48 -0.42 0.07 -0.00 0.00 0.00 177.93 178.07 2qpu h ARG 226 N -0.17 0.00 -0.51 5.26 0.11 -1.26 -2.87 114.38 114.94 2qpu h ARG 226 Ca 0.02 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.04 2qpu h ARG 226 Cb 0.42 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.47 2qpu h ARG 226 CO 0.01 0.42 0.08 0.37 0.10 0.00 0.00 179.97 180.95 2qpu h GLN 227 N 0.00 0.81 -0.86 0.08 5.75 -0.66 -0.72 115.11 119.51 2qpu h GLN 227 Ca -0.00 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.34 2qpu h GLN 227 Cb 0.96 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.35 2qpu h GLN 227 CO 0.05 0.76 0.56 -0.91 -2.65 0.00 0.00 178.83 176.64 2qpu h ASN 228 N 0.77 0.95 -0.35 -0.69 -0.26 -1.19 0.12 115.58 114.93 2qpu h ASN 228 Ca 0.16 -0.01 -0.16 0.00 -0.56 0.00 0.00 56.30 55.73 2qpu h ASN 228 Cb 0.35 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 2qpu h ASN 228 CO 0.01 0.67 -0.40 -0.07 -1.06 0.00 0.00 177.43 176.57 2qpu h LEU 229 N 1.12 0.97 -0.72 1.61 3.38 -1.31 -2.05 115.31 118.30 2qpu h LEU 229 Ca 0.33 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2qpu h LEU 229 Cb -0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2qpu h LEU 229 CO -0.10 1.24 0.01 0.58 0.09 0.00 0.00 178.44 180.27 2qpu h VAL 230 N 0.73 1.26 -0.74 1.22 2.07 -0.84 -2.51 116.25 117.45 2qpu h VAL 230 Ca 0.06 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 2qpu h VAL 230 Cb 0.99 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2qpu h VAL 230 CO 0.10 0.40 0.40 0.78 0.02 0.00 0.00 177.57 179.27 2qpu h ASN 231 N 0.92 0.93 -0.46 0.57 -0.26 -0.83 -0.54 115.58 115.90 2qpu h ASN 231 Ca 0.17 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 2qpu h ASN 231 Cb 0.52 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 2qpu h ASN 231 CO 0.03 0.76 0.24 -0.25 -1.06 0.00 0.00 177.43 177.14 2qpu h TRP 232 N 1.02 0.65 -0.75 1.19 7.01 -1.14 -1.10 115.95 122.83 2qpu h TRP 232 Ca 0.26 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.19 2qpu h TRP 232 Cb 0.04 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 2qpu h TRP 232 CO -0.00 0.50 0.27 0.28 -2.79 0.00 0.00 178.44 176.70 2qpu h VAL 233 N 0.60 1.26 -0.39 2.65 2.07 -1.04 -1.14 116.25 120.25 2qpu h VAL 233 Ca 0.16 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2qpu h VAL 233 Cb 0.09 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2qpu h VAL 233 CO -0.02 0.34 0.21 0.44 0.02 0.00 0.00 177.57 178.56 2qpu h ASP 234 N 1.10 0.49 0.44 0.57 3.32 -0.76 0.91 116.42 122.50 2qpu h ASP 234 Ca 0.25 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2qpu h ASP 234 Cb 0.26 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2qpu h ASP 234 CO -0.01 0.45 -0.13 0.11 -1.72 0.00 0.00 179.24 177.94 2qpu h LYS 235 N 0.50 0.00 0.00 3.56 1.57 -0.74 -2.36 116.57 119.10 2qpu h LYS 235 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2qpu h LYS 235 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2qpu h LYS 235 CO -0.02 0.13 -0.28 1.55 -0.57 0.00 0.00 179.45 180.25 2qpu n VAL 236 N -3.58 0.29 0.00 0.50 3.14 -0.47 -4.41 118.33 113.80 2qpu n VAL 236 Ca -0.02 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 2qpu n VAL 236 Cb 0.26 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 2qpu n VAL 236 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2qpu n GLY 237 N 1.39 -0.01 7.00 7.55 0.00 -0.89 -4.67 105.19 115.55 2qpu n GLY 237 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2qpu n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qpu n GLY 238 N 0.00 1.94 0.27 -0.02 0.00 0.28 -3.22 105.19 104.45 2qpu n GLY 238 Ca 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.57 2qpu n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qpu h ALA 239 N -0.82 2.02 0.00 4.61 0.00 -1.94 -1.62 119.26 121.50 2qpu h ALA 239 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2qpu h ALA 239 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qpu h ALA 239 CO 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 179.25 178.89 2qpu h ALA 240 N 1.98 0.92 -2.21 0.00 0.00 -1.97 -3.45 119.26 114.53 2qpu h ALA 240 Ca 0.02 -0.28 -0.47 0.00 0.00 0.00 0.00 54.91 54.17 2qpu h ALA 240 Cb 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qpu h ALA 240 CO -0.00 0.39 0.26 0.45 0.00 0.00 0.00 179.25 180.35 2qpu s SER 241 N -6.30 6.72 0.00 0.00 0.15 -0.61 -4.95 113.70 108.70 2qpu s SER 241 Ca 0.02 1.45 0.30 0.00 0.70 0.00 0.00 55.95 58.42 2qpu s SER 241 Cb 0.09 -2.45 1.43 0.00 -1.71 0.00 0.00 66.02 63.38 2qpu s SER 241 CO 0.67 -0.41 1.98 0.00 1.20 0.00 0.00 173.24 176.68 2qpu n ALA 242 N -1.02 2.66 -1.77 5.45 0.00 -1.26 -4.88 120.51 119.69 2qpu n ALA 242 Ca 0.05 -0.23 -0.37 0.00 0.00 0.00 0.00 53.44 52.89 2qpu n ALA 242 Cb 0.54 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 2qpu n ALA 242 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qpu s GLY 243 N -2.38 2.81 0.35 0.00 0.00 -1.26 -1.19 107.32 105.66 2qpu s GLY 243 Ca 0.33 0.86 -0.08 0.00 0.00 0.00 0.00 44.72 45.83 2qpu s GLY 243 CO 0.44 1.33 0.60 -3.16 0.00 0.00 0.00 173.10 172.31 2qpu s MET 244 N -2.42 2.01 0.06 2.90 0.23 -0.07 -4.88 119.30 117.13 2qpu s MET 244 Ca 0.58 -1.60 0.02 0.00 -1.03 0.00 0.00 55.69 53.66 2qpu s MET 244 Cb -0.27 0.52 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 2qpu s MET 244 CO 0.34 -0.88 -0.07 0.14 -2.03 0.00 0.00 175.02 172.52 2qpu s VAL 245 N -2.85 0.55 0.23 5.16 -7.23 -0.65 -0.79 120.40 114.82 2qpu s VAL 245 Ca 0.24 -1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 2qpu s VAL 245 Cb -0.02 -1.06 -0.09 0.00 0.56 0.00 0.00 36.38 35.77 2qpu s VAL 245 CO 0.16 -0.62 1.15 -0.36 -0.31 0.00 0.00 175.10 175.12 2qpu s PHE 246 N -2.41 3.50 -1.33 2.82 0.08 -1.09 -1.06 117.98 118.49 2qpu s PHE 246 Ca -0.01 1.56 -0.15 0.00 0.12 0.00 0.00 56.93 58.46 2qpu s PHE 246 Cb -0.03 -3.36 0.09 0.00 -0.57 0.00 0.00 43.02 39.16 2qpu s PHE 246 CO -0.02 -0.87 1.87 -3.47 -0.10 0.00 0.00 175.22 172.63 2qpu n ASP 247 N 1.89 4.67 0.28 1.36 -0.08 0.74 -4.73 116.55 120.67 2qpu n ASP 247 Ca 0.02 -2.93 0.16 0.00 -1.51 0.00 0.00 54.79 50.52 2qpu n ASP 247 Cb 0.45 -1.65 0.78 0.00 2.34 0.00 0.00 41.12 43.03 2qpu n ASP 247 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2qpu h PHE 248 N 6.70 0.00 -0.04 -0.67 0.04 -1.89 -2.37 116.94 118.71 2qpu h PHE 248 Ca 0.46 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.22 2qpu h PHE 248 Cb 0.76 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.91 2qpu h PHE 248 CO 1.36 0.07 -0.01 1.15 -0.60 0.00 0.00 178.31 180.28 2qpu h THR 249 N 0.00 1.28 -0.55 -1.55 2.02 -1.93 -1.01 112.91 111.18 2qpu h THR 249 Ca -0.00 -0.84 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 2qpu h THR 249 Cb 0.38 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2qpu h THR 249 CO 0.01 0.23 0.17 0.74 0.37 0.00 0.00 175.52 177.04 2qpu h THR 250 N -0.26 1.21 0.05 3.16 2.02 -1.83 -1.87 112.91 115.39 2qpu h THR 250 Ca 0.01 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 2qpu h THR 250 Cb 0.37 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2qpu h THR 250 CO 0.00 0.28 -0.02 0.50 0.37 0.00 0.00 175.52 176.65 2qpu h LYS 251 N 0.80 -0.06 -0.72 6.66 1.63 -1.23 0.96 116.57 124.61 2qpu h LYS 251 Ca 0.18 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.93 2qpu h LYS 251 Cb 0.23 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 2qpu h LYS 251 CO -0.01 -0.02 0.23 0.78 -3.45 0.00 0.00 179.45 176.99 2qpu h GLY 252 N -0.08 1.19 0.60 5.01 0.00 -0.96 -1.61 103.07 107.21 2qpu h GLY 252 Ca -0.01 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 2qpu h GLY 252 CO 0.01 0.65 -0.01 -2.22 0.00 0.00 0.00 176.54 174.98 2qpu h ILE 253 N 1.05 1.33 -0.70 2.60 2.04 -1.22 -3.15 117.51 119.47 2qpu h ILE 253 Ca 0.23 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 65.12 2qpu h ILE 253 Cb 0.29 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 2qpu h ILE 253 CO -0.01 0.26 0.46 0.25 0.00 0.00 0.00 178.15 179.11 2qpu h LEU 254 N -0.39 0.80 -0.74 1.44 5.85 -0.79 0.40 115.31 121.89 2qpu h LEU 254 Ca 0.00 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.83 2qpu h LEU 254 Cb 0.42 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 2qpu h LEU 254 CO 0.00 0.57 0.32 0.78 -0.34 0.00 0.00 178.44 179.78 2qpu h ASN 255 N 0.94 0.35 0.29 1.25 4.21 -1.25 -2.70 115.58 118.66 2qpu h ASN 255 Ca 0.26 0.09 -0.33 0.00 1.21 0.00 0.00 56.30 57.52 2qpu h ASN 255 Cb -0.10 0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.15 2qpu h ASN 255 CO -0.06 0.16 -1.70 0.00 -1.29 0.00 0.00 177.43 174.54 2qpu h ALA 256 N 1.50 0.26 -0.79 -0.83 0.00 -1.33 -3.39 119.26 114.69 2qpu h ALA 256 Ca 0.39 -1.18 0.12 0.00 0.00 0.00 0.00 54.91 54.24 2qpu h ALA 256 Cb 0.53 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 2qpu h ALA 256 CO -0.35 1.13 0.40 0.00 0.00 0.00 0.00 179.25 180.43 2qpu h ALA 257 N 0.29 1.14 0.00 0.00 0.00 0.07 -1.59 119.26 119.16 2qpu h ALA 257 Ca -0.32 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qpu h ALA 257 Cb 2.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2qpu h ALA 257 CO 0.16 -0.06 0.00 1.33 0.00 0.00 0.00 179.25 180.67 2qpu n VAL 258 N -4.87 1.05 -1.63 0.00 0.24 -1.04 -1.34 118.33 110.74 2qpu n VAL 258 Ca 0.14 0.36 -0.32 0.00 -2.04 0.00 0.00 64.34 62.49 2qpu n VAL 258 Cb 0.36 -1.27 -0.05 0.00 -1.47 0.00 0.00 33.84 31.41 2qpu n VAL 258 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qpu n GLU 259 N -1.97 3.35 -1.12 7.34 -0.58 -0.60 -4.66 120.64 122.41 2qpu n GLU 259 Ca 0.02 -2.66 -0.04 0.00 -0.42 0.00 0.00 57.16 54.06 2qpu n GLU 259 Cb 0.15 -2.38 -0.02 0.00 -0.57 0.00 0.00 31.44 28.63 2qpu n GLU 259 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qpu n GLY 260 N 1.57 0.70 2.59 0.62 0.00 -1.23 -4.93 105.19 104.51 2qpu n GLY 260 Ca 0.56 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 2qpu n GLY 260 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qpu n GLU 261 N -2.46 1.88 0.00 1.61 1.02 -0.45 -4.47 120.64 117.77 2qpu n GLU 261 Ca -0.04 -3.68 0.04 0.00 -0.02 0.00 0.00 57.16 53.46 2qpu n GLU 261 Cb 0.19 -1.59 0.19 0.00 -0.02 0.00 0.00 31.44 30.21 2qpu n GLU 261 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qpu n LEU 262 N -0.18 0.00 0.00 -4.62 4.77 -0.78 -1.62 117.00 114.57 2qpu n LEU 262 Ca 0.19 0.38 0.06 0.00 -0.03 0.00 0.00 56.01 56.61 2qpu n LEU 262 Cb 0.75 -0.38 0.26 0.00 -2.33 0.00 0.00 43.42 41.73 2qpu n LEU 262 CO 0.29 -0.27 0.68 -2.67 -1.33 0.00 0.00 177.39 174.09 2qpu n TRP 263 N -1.38 0.00 0.44 -1.77 4.27 -1.21 -1.77 117.44 116.03 2qpu n TRP 263 Ca 0.03 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.77 2qpu n TRP 263 Cb 0.08 -0.47 0.40 0.00 -1.36 0.00 0.00 31.31 29.96 2qpu n TRP 263 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2qpu h ARG 264 N 0.00 0.00 -1.00 -2.67 3.08 -1.61 -3.35 114.38 108.83 2qpu h ARG 264 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2qpu h ARG 264 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2qpu h ARG 264 CO 0.00 0.00 0.01 1.28 -1.07 0.00 0.00 179.97 180.19 2qpu n LEU 265 N -2.55 2.51 -3.66 3.04 4.77 -0.73 -4.74 117.00 115.63 2qpu n LEU 265 Ca 0.04 -1.26 -0.12 0.00 -0.03 0.00 0.00 56.01 54.64 2qpu n LEU 265 Cb 0.40 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.90 2qpu n LEU 265 CO 0.29 0.44 0.29 -0.51 -1.33 0.00 0.00 177.39 176.57 2qpu s ILE 266 N -0.40 -0.00 0.67 -0.08 2.07 -1.26 -4.47 121.20 117.73 2qpu s ILE 266 Ca 0.02 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.25 2qpu s ILE 266 Cb 0.01 -0.86 0.09 0.00 0.13 0.00 0.00 42.46 41.84 2qpu s ILE 266 CO 0.00 0.00 0.93 1.51 -1.91 0.00 0.00 174.94 175.48 2qpu s ASP 267 N 0.61 4.69 0.63 4.50 1.47 0.43 -4.81 116.67 124.19 2qpu s ASP 267 Ca -0.02 -0.12 0.40 0.00 1.18 0.00 0.00 52.55 53.98 2qpu s ASP 267 Cb -0.05 -0.45 2.19 0.00 -0.34 0.00 0.00 42.92 44.27 2qpu s ASP 267 CO -0.03 -1.61 2.23 -0.65 0.68 0.00 0.00 175.17 175.79 2qpu h PRO 268 N -0.36 0.00 -0.01 2.11 0.11 -1.99 -0.82 132.00 131.03 2qpu h PRO 268 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2qpu h PRO 268 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2qpu h PRO 268 CO 0.47 0.00 -0.09 1.04 -0.21 0.00 0.00 178.00 179.20 2qpu n GLN 269 N -2.95 1.31 -0.63 1.05 1.13 -1.26 -4.93 117.38 111.10 2qpu n GLN 269 Ca -0.03 -0.74 0.00 0.00 -1.94 0.00 0.00 57.00 54.29 2qpu n GLN 269 Cb 0.10 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.97 2qpu n GLN 269 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qpu n GLY 270 N 1.23 0.66 3.87 1.08 0.00 -0.31 -5.07 105.19 106.65 2qpu n GLY 270 Ca 0.17 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 2qpu n GLY 270 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qpu s LYS 271 N -0.60 2.58 0.46 1.61 1.02 -1.26 -4.72 119.74 118.83 2qpu s LYS 271 Ca 0.00 -1.47 -0.25 0.00 0.02 0.00 0.00 55.97 54.28 2qpu s LYS 271 Cb 0.00 -2.40 -0.08 0.00 -0.52 0.00 0.00 37.83 34.83 2qpu s LYS 271 CO 0.00 -0.10 1.40 0.00 -0.92 0.00 0.00 175.35 175.72 2qpu s ALA 272 N -2.42 3.18 -0.57 5.17 0.00 -1.26 -0.43 121.76 125.43 2qpu s ALA 272 Ca 0.46 1.41 0.26 0.00 0.00 0.00 0.00 51.96 54.08 2qpu s ALA 272 Cb -0.04 -3.57 0.79 0.00 0.00 0.00 0.00 23.12 20.30 2qpu s ALA 272 CO 0.27 -1.16 1.75 -1.00 0.00 0.00 0.00 175.76 175.62 2qpu h PRO 273 N 2.24 0.00 0.00 0.00 0.13 -1.85 -3.27 132.00 129.25 2qpu h PRO 273 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2qpu h PRO 273 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2qpu h PRO 273 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 2qpu n GLY 274 N 0.93 0.93 0.28 1.56 0.00 -1.26 -4.79 105.19 102.84 2qpu n GLY 274 Ca 0.04 -1.94 0.10 0.00 0.00 0.00 0.00 46.02 44.23 2qpu n GLY 274 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qpu h VAL 275 N -0.20 0.93 -1.04 1.61 2.07 -1.91 -1.70 116.25 116.02 2qpu h VAL 275 Ca 0.00 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.79 2qpu h VAL 275 Cb 0.00 0.95 -0.10 0.00 -1.52 0.00 0.00 31.29 30.62 2qpu h VAL 275 CO 0.00 0.00 0.65 -0.03 0.02 0.00 0.00 177.57 178.21 2qpu h MET 276 N 0.00 0.42 0.00 1.57 1.85 -1.89 0.46 114.93 117.34 2qpu h MET 276 Ca 0.04 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 2qpu h MET 276 Cb 0.18 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.11 2qpu h MET 276 CO -0.00 0.28 -0.10 0.41 -0.40 0.00 0.00 176.91 177.10 2qpu n GLY 277 N -1.43 -1.52 0.15 1.39 0.00 -0.64 -3.43 105.19 99.72 2qpu n GLY 277 Ca 0.26 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 2qpu n GLY 277 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qpu n TRP 278 N -1.74 0.00 -3.09 1.61 8.01 -0.03 -4.70 117.44 117.49 2qpu n TRP 278 Ca 0.06 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.06 2qpu n TRP 278 Cb 0.37 -0.36 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 2qpu n TRP 278 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.69 178.55 2qpu n TRP 279 N -2.88 -0.93 -0.07 -5.99 -0.00 -0.15 -4.99 117.44 102.43 2qpu n TRP 279 Ca -0.17 -3.22 0.19 0.00 -0.00 0.00 0.00 57.50 54.30 2qpu n TRP 279 Cb 0.67 0.07 0.63 0.00 -0.00 0.00 0.00 31.31 32.68 2qpu n TRP 279 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2qpu h PRO 280 N 3.79 0.14 0.00 5.87 0.13 -1.64 -0.69 132.00 139.61 2qpu h PRO 280 Ca 0.03 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2qpu h PRO 280 Cb 0.93 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2qpu h PRO 280 CO 0.43 0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.29 2qpu h ALA 281 N 1.69 1.00 -0.18 -0.56 0.00 -1.91 -2.66 119.26 116.64 2qpu h ALA 281 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2qpu h ALA 281 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2qpu h ALA 281 CO -0.04 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.84 2qpu n LYS 282 N -2.49 2.73 -3.75 0.00 4.76 -0.28 -4.96 118.16 114.18 2qpu n LYS 282 Ca 0.01 -1.74 -0.37 0.00 -2.87 0.00 0.00 58.31 53.33 2qpu n LYS 282 Cb 0.20 -1.15 -0.12 0.00 -1.84 0.00 0.00 35.03 32.11 2qpu n LYS 282 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qpu s ALA 283 N -0.97 3.08 -0.45 7.82 0.00 -1.00 -1.64 121.76 128.61 2qpu s ALA 283 Ca 0.12 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.45 2qpu s ALA 283 Cb 0.07 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 21.04 2qpu s ALA 283 CO 0.09 -0.95 0.44 0.08 0.00 0.00 0.00 175.76 175.42 2qpu s VAL 284 N 1.50 5.11 0.41 0.00 1.01 -0.22 -0.13 120.40 128.08 2qpu s VAL 284 Ca 0.03 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 2qpu s VAL 284 Cb -0.17 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 2qpu s VAL 284 CO 0.03 -0.51 0.77 0.42 0.00 0.00 0.00 175.10 175.81 2qpu s THR 285 N 2.04 4.81 0.14 3.92 -4.23 -0.01 -0.19 115.64 122.11 2qpu s THR 285 Ca 0.10 0.54 -0.24 0.00 -1.18 0.00 0.00 61.69 60.90 2qpu s THR 285 Cb -0.19 -3.75 0.07 0.00 1.34 0.00 0.00 72.50 69.97 2qpu s THR 285 CO 0.11 -0.57 0.65 0.72 -0.54 0.00 0.00 174.62 174.99 2qpu s PHE 286 N -2.42 -0.51 -0.19 3.99 -0.71 -1.26 -0.25 117.98 116.62 2qpu s PHE 286 Ca 0.50 0.31 -0.03 0.00 -1.04 0.00 0.00 56.93 56.67 2qpu s PHE 286 Cb -0.10 0.56 -0.21 0.00 -1.21 0.00 0.00 43.02 42.05 2qpu s PHE 286 CO 0.34 -0.81 0.05 0.28 -1.34 0.00 0.00 175.22 173.74 2qpu n VAL 287 N -0.36 1.63 -3.47 -2.49 0.31 -1.26 -4.65 118.33 108.03 2qpu n VAL 287 Ca -0.16 -0.59 -0.12 0.00 -0.01 0.00 0.00 64.34 63.46 2qpu n VAL 287 Cb 0.64 -1.59 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 2qpu n VAL 287 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2qpu s ASP 288 N -6.79 -0.51 0.03 4.52 1.01 -1.26 -4.44 116.67 109.22 2qpu s ASP 288 Ca -0.29 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.12 2qpu s ASP 288 Cb 0.08 0.50 -0.00 0.00 1.01 0.00 0.00 42.92 44.51 2qpu s ASP 288 CO 0.68 -0.76 0.01 -0.46 0.21 0.00 0.00 175.17 174.85 2qpu n ASN 289 N -0.03 0.70 0.23 0.27 0.23 -1.26 -4.56 115.26 110.84 2qpu n ASN 289 Ca -0.14 -1.15 0.16 0.00 -0.53 0.00 0.00 54.58 52.92 2qpu n ASN 289 Cb 0.62 0.08 0.77 0.00 -2.08 0.00 0.00 39.78 39.17 2qpu n ASN 289 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 2qpu h HIS 290 N 1.05 0.00 0.00 -2.53 2.07 -1.86 0.13 115.15 114.02 2qpu h HIS 290 Ca -0.02 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.27 2qpu h HIS 290 Cb 0.08 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.03 2qpu h HIS 290 CO 0.00 0.00 -1.51 -0.25 -3.07 0.00 0.00 177.93 173.10 2qpu n ASP 291 N -2.69 1.90 0.03 3.10 8.00 -1.26 -4.39 116.55 121.24 2qpu n ASP 291 Ca -0.01 0.42 -0.03 0.00 0.71 0.00 0.00 54.79 55.88 2qpu n ASP 291 Cb 0.15 -0.86 0.20 0.00 -0.02 0.00 0.00 41.12 40.60 2qpu n ASP 291 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2qpu h THR 292 N -1.00 1.28 -0.10 -3.53 1.35 -1.87 -1.07 112.91 107.96 2qpu h THR 292 Ca -0.34 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2qpu h THR 292 Cb 1.21 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2qpu h THR 292 CO -0.21 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 2qpu n GLY 293 N -0.31 4.63 7.00 5.82 0.00 0.03 -1.03 105.19 121.33 2qpu n GLY 293 Ca -0.01 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2qpu n GLY 293 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qpu n SER 294 N 0.00 0.00 -0.09 1.61 2.88 -1.25 -1.08 113.62 115.68 2qpu n SER 294 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2qpu n SER 294 Cb 0.00 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 63.91 2qpu n SER 294 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2qpu n THR 295 N 0.00 0.00 0.07 2.46 -2.24 -1.26 -3.72 114.28 109.58 2qpu n THR 295 Ca 0.00 -0.05 -0.17 0.00 -2.27 0.00 0.00 64.05 61.56 2qpu n THR 295 Cb 0.00 0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 68.15 2qpu n THR 295 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2qpu h GLN 296 N 0.46 0.27 -6.73 -0.78 4.20 -1.71 -3.48 115.11 107.33 2qpu h GLN 296 Ca 0.00 -0.46 -0.55 0.00 0.06 0.00 0.00 58.65 57.71 2qpu h GLN 296 Cb 0.45 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 2qpu h GLN 296 CO 0.00 1.14 -0.95 0.00 -0.67 0.00 0.00 178.83 178.35 2qpu n ALA 297 N -2.68 -2.23 0.19 3.87 0.00 -0.24 -4.87 120.51 114.54 2qpu n ALA 297 Ca -0.17 -0.38 0.07 0.00 0.00 0.00 0.00 53.44 52.96 2qpu n ALA 297 Cb 1.05 -1.95 0.23 0.00 0.00 0.00 0.00 19.45 18.78 2qpu n ALA 297 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2qpu h MET 298 N -2.02 0.00 0.00 0.00 2.86 -0.77 -3.40 114.93 111.61 2qpu h MET 298 Ca -0.66 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 56.80 2qpu h MET 298 Cb 1.39 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.92 2qpu h MET 298 CO 0.60 0.29 -0.18 1.87 1.06 0.00 0.00 176.91 180.55 2qpu n TRP 299 N -3.26 -1.72 -1.85 -0.22 -0.00 -0.59 -4.95 117.44 104.85 2qpu n TRP 299 Ca 0.02 -1.48 -0.40 0.00 -0.00 0.00 0.00 57.50 55.64 2qpu n TRP 299 Cb 0.57 1.43 0.01 0.00 -0.00 0.00 0.00 31.31 33.33 2qpu n TRP 299 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2qpu s PRO 300 N 0.16 3.75 0.45 5.87 0.04 -0.19 -4.70 135.00 140.37 2qpu s PRO 300 Ca 0.19 2.37 -0.23 0.00 0.04 0.00 0.00 61.00 63.38 2qpu s PRO 300 Cb 0.28 -2.68 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 2qpu s PRO 300 CO -0.10 -0.75 1.12 0.12 0.04 0.00 0.00 177.00 177.43 2qpu s PHE 301 N -1.21 2.98 -0.24 0.56 5.36 -1.26 -4.86 117.98 119.31 2qpu s PHE 301 Ca 0.60 1.57 -0.35 0.00 -0.96 0.00 0.00 56.93 57.79 2qpu s PHE 301 Cb -0.43 -3.27 -0.12 0.00 -0.34 0.00 0.00 43.02 38.87 2qpu s PHE 301 CO 0.55 -1.19 2.01 -2.30 -1.46 0.00 0.00 175.22 172.84 2qpu n PRO 302 N -0.48 1.51 -0.31 10.12 -0.02 -1.26 -4.80 135.00 139.75 2qpu n PRO 302 Ca 0.07 0.50 0.22 0.00 -2.02 0.00 0.00 63.50 62.27 2qpu n PRO 302 Cb 0.49 -2.51 0.51 0.00 -0.02 0.00 0.00 33.50 31.97 2qpu n PRO 302 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qpu h SER 303 N 10.61 0.43 -0.01 2.55 4.64 -2.01 -0.70 113.55 129.06 2qpu h SER 303 Ca -0.39 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2qpu h SER 303 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2qpu h SER 303 CO 0.98 0.10 0.00 -0.90 -0.87 0.00 0.00 176.83 176.14 2qpu n ASP 304 N -4.59 0.53 -0.20 4.97 5.75 -1.26 -3.85 116.55 117.89 2qpu n ASP 304 Ca 0.24 -1.23 0.04 0.00 -0.01 0.00 0.00 54.79 53.83 2qpu n ASP 304 Cb 0.85 -0.01 0.06 0.00 -1.03 0.00 0.00 41.12 41.00 2qpu n ASP 304 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qpu n LYS 305 N -0.56 0.94 -0.31 0.11 5.02 -0.28 -4.85 118.16 118.22 2qpu n LYS 305 Ca 0.21 -1.72 0.07 0.00 -2.02 0.00 0.00 58.31 54.85 2qpu n LYS 305 Cb 0.19 -1.01 0.23 0.00 -0.02 0.00 0.00 35.03 34.42 2qpu n LYS 305 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qpu h VAL 306 N 2.65 0.78 0.00 -0.18 2.07 -1.65 -0.84 116.25 119.09 2qpu h VAL 306 Ca 0.00 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2qpu h VAL 306 Cb 1.08 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2qpu h VAL 306 CO 0.00 0.13 -0.09 0.24 0.02 0.00 0.00 177.57 177.88 2qpu h MET 307 N 0.73 0.00 -0.19 1.57 2.86 -1.91 -0.31 114.93 117.68 2qpu h MET 307 Ca 0.48 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.97 2qpu h MET 307 Cb 0.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2qpu h MET 307 CO -0.33 0.09 -0.51 1.96 1.06 0.00 0.00 176.91 179.17 2qpu h GLN 308 N 0.00 0.54 -0.63 1.72 4.20 -1.43 0.19 115.11 119.70 2qpu h GLN 308 Ca -0.00 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 2qpu h GLN 308 Cb 0.29 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2qpu h GLN 308 CO 0.01 0.92 0.34 0.78 -0.67 0.00 0.00 178.83 180.21 2qpu h GLY 309 N 1.08 0.94 1.71 3.46 0.00 -0.93 -1.50 103.07 107.82 2qpu h GLY 309 Ca 0.02 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 46.73 2qpu h GLY 309 CO 0.10 0.41 -0.78 -0.97 0.00 0.00 0.00 176.54 175.29 2qpu h TYR 310 N 0.85 0.38 -0.57 5.60 0.05 -1.23 -1.34 116.97 120.71 2qpu h TYR 310 Ca 0.22 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2qpu h TYR 310 Cb 0.05 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 2qpu h TYR 310 CO -0.01 0.95 0.32 0.00 -1.05 0.00 0.00 178.16 178.37 2qpu h ALA 311 N 1.00 1.50 0.19 3.88 0.00 -0.70 -0.44 119.26 124.68 2qpu h ALA 311 Ca -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2qpu h ALA 311 Cb 1.37 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2qpu h ALA 311 CO 0.12 0.42 -0.09 -0.92 0.00 0.00 0.00 179.25 178.79 2qpu h TYR 312 N 0.78 -0.24 -0.15 0.00 3.20 -1.05 -3.26 116.97 116.25 2qpu h TYR 312 Ca 0.20 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2qpu h TYR 312 Cb 0.00 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2qpu h TYR 312 CO 0.00 -0.15 -0.10 -0.84 -1.64 0.00 0.00 178.16 175.43 2qpu h ILE 313 N -0.50 1.16 0.00 1.81 3.07 -1.26 -2.40 117.51 119.39 2qpu h ILE 313 Ca -0.03 -0.71 0.00 0.00 1.55 0.00 0.00 64.86 65.68 2qpu h ILE 313 Cb 0.19 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 2qpu h ILE 313 CO 0.04 0.22 0.00 0.18 -1.05 0.00 0.00 178.15 177.55 2qpu n LEU 314 N -4.30 0.57 -0.00 0.16 4.77 -0.18 -3.38 117.00 114.64 2qpu n LEU 314 Ca -0.01 0.58 0.06 0.00 -0.03 0.00 0.00 56.01 56.61 2qpu n LEU 314 Cb 0.25 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 2qpu n LEU 314 CO 0.38 -0.28 -0.35 0.35 -1.33 0.00 0.00 177.39 176.16 2qpu n THR 315 N -2.07 0.00 -2.78 -5.08 -2.24 -1.10 -4.61 114.28 96.40 2qpu n THR 315 Ca 0.05 -0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 2qpu n THR 315 Cb 0.33 0.60 0.03 0.00 -2.10 0.00 0.00 70.33 69.18 2qpu n THR 315 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2qpu s HIS 316 N -2.46 3.00 1.25 4.78 3.76 -0.92 -4.86 115.29 119.84 2qpu s HIS 316 Ca -0.00 0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 54.83 2qpu s HIS 316 Cb 0.08 -2.58 0.31 0.00 1.11 0.00 0.00 32.58 31.51 2qpu s HIS 316 CO 0.48 -0.67 1.00 -2.14 -0.85 0.00 0.00 174.74 172.56 2qpu s PRO 317 N -4.67 -1.60 0.00 8.40 0.02 -1.26 -4.83 135.00 131.06 2qpu s PRO 317 Ca 0.54 0.61 0.00 0.00 0.02 0.00 0.00 61.00 62.16 2qpu s PRO 317 Cb -0.10 -1.49 0.00 0.00 0.02 0.00 0.00 34.50 32.93 2qpu s PRO 317 CO 0.38 -4.11 0.00 0.41 -0.33 0.00 0.00 177.00 173.35 2qpu n GLY 318 N 0.97 -0.22 3.24 0.52 0.00 -0.07 -4.86 105.19 104.77 2qpu n GLY 318 Ca 0.05 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 2qpu n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qpu s ILE 319 N -1.58 3.73 0.40 -0.61 1.01 0.81 -3.96 121.20 121.00 2qpu s ILE 319 Ca 0.00 -1.37 -0.25 0.00 0.00 0.00 0.00 60.65 59.03 2qpu s ILE 319 Cb 0.00 -3.23 -0.08 0.00 0.01 0.00 0.00 42.46 39.16 2qpu s ILE 319 CO 0.00 -0.33 1.13 -2.16 0.00 0.00 0.00 174.94 173.58 2qpu s PRO 320 N 1.35 4.06 -0.15 2.79 0.04 -1.26 -0.83 135.00 141.00 2qpu s PRO 320 Ca 0.01 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2qpu s PRO 320 Cb -0.21 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 31.74 2qpu s PRO 320 CO 0.01 -0.28 -0.11 0.00 0.04 0.00 0.00 177.00 176.66 2qpu s ILE 322 N 1.53 4.78 -0.09 0.00 1.01 -0.12 -4.38 121.20 123.94 2qpu s ILE 322 Ca 0.03 1.38 -0.20 0.00 0.00 0.00 0.00 60.65 61.86 2qpu s ILE 322 Cb -0.14 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2qpu s ILE 322 CO -0.09 0.44 0.56 0.12 0.00 0.00 0.00 174.94 175.97 2qpu s PHE 323 N -0.41 3.56 0.17 3.97 5.36 -1.26 -0.55 117.98 128.81 2qpu s PHE 323 Ca 0.33 1.05 -0.26 0.00 -0.96 0.00 0.00 56.93 57.08 2qpu s PHE 323 Cb -0.19 -2.64 0.02 0.00 -0.34 0.00 0.00 43.02 39.86 2qpu s PHE 323 CO 0.20 0.17 1.49 0.98 -1.46 0.00 0.00 175.22 176.60 2qpu n TYR 324 N 3.59 -0.29 -0.21 10.12 4.19 -0.78 -1.66 117.16 132.12 2qpu n TYR 324 Ca -0.05 1.20 0.02 0.00 3.31 0.00 0.00 57.90 62.38 2qpu n TYR 324 Cb 0.51 -0.66 0.12 0.00 0.49 0.00 0.00 39.34 39.81 2qpu n TYR 324 CO 0.00 0.00 0.00 -0.44 0.91 0.00 0.00 176.86 177.33 2qpu h ASP 325 N 0.00 -0.03 -0.01 2.98 5.19 -1.89 -1.21 116.42 121.46 2qpu h ASP 325 Ca 0.21 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.71 2qpu h ASP 325 Cb 0.45 0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 2qpu h ASP 325 CO -0.92 -0.01 -0.07 0.45 -3.12 0.00 0.00 179.24 175.56 2qpu h HIS 326 N 0.25 0.19 0.14 4.55 3.86 -1.70 0.36 115.15 122.80 2qpu h HIS 326 Ca 0.34 -0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 59.35 2qpu h HIS 326 Cb 0.53 -0.06 0.02 0.00 1.06 0.00 0.00 27.41 28.96 2qpu h HIS 326 CO -0.26 0.27 -0.85 0.35 0.86 0.00 0.00 177.93 178.30 2qpu h PHE 327 N 0.19 0.53 0.00 2.45 3.57 -0.98 -3.35 116.94 119.35 2qpu h PHE 327 Ca 0.04 -0.39 -0.19 0.00 3.53 0.00 0.00 57.97 60.96 2qpu h PHE 327 Cb 0.25 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 2qpu h PHE 327 CO 0.00 1.32 -2.01 1.19 -2.23 0.00 0.00 178.31 176.59 2qpu n PHE 328 N -4.12 0.00 0.64 0.41 3.72 -0.61 -2.81 117.46 114.69 2qpu n PHE 328 Ca -0.15 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.32 2qpu n PHE 328 Cb 0.82 -0.66 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 2qpu n PHE 328 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qpu n ASN 329 N -2.43 1.03 -0.68 4.37 5.03 0.12 -4.61 115.26 118.10 2qpu n ASN 329 Ca -0.18 -1.01 0.09 0.00 0.87 0.00 0.00 54.58 54.34 2qpu n ASN 329 Cb 0.83 0.77 0.07 0.00 -1.02 0.00 0.00 39.78 40.42 2qpu n ASN 329 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 2qpu n TRP 330 N -0.81 0.00 -0.88 3.10 7.02 -0.95 -4.98 117.44 119.94 2qpu n TRP 330 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 2qpu n TRP 330 Cb 0.25 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 2qpu n TRP 330 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2qpu n GLY 331 N 1.04 0.48 0.92 6.99 0.00 -1.26 -4.94 105.19 108.41 2qpu n GLY 331 Ca 0.10 -0.71 0.09 0.00 0.00 0.00 0.00 46.02 45.50 2qpu n GLY 331 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qpu n PHE 332 N -2.88 0.49 -0.22 1.61 3.72 -1.26 -4.74 117.46 114.18 2qpu n PHE 332 Ca 0.00 -0.33 -0.11 0.00 -0.05 0.00 0.00 57.45 56.96 2qpu n PHE 332 Cb 0.00 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.44 2qpu n PHE 332 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2qpu h LYS 333 N 3.33 -0.21 -0.84 -1.08 3.64 -1.72 0.22 116.57 119.90 2qpu h LYS 333 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2qpu h LYS 333 Cb 0.83 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 2qpu h LYS 333 CO 0.00 -0.14 0.51 -0.44 -2.27 0.00 0.00 179.45 177.11 2qpu h ASP 334 N -0.22 1.01 -0.50 4.20 3.32 -1.88 -1.65 116.42 120.70 2qpu h ASP 334 Ca 0.09 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2qpu h ASP 334 Cb 0.47 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2qpu h ASP 334 CO -0.65 0.77 0.05 1.56 -1.72 0.00 0.00 179.24 179.26 2qpu h GLN 335 N 1.16 0.85 -0.34 3.56 4.20 -1.73 -1.39 115.11 121.41 2qpu h GLN 335 Ca 0.30 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 2qpu h GLN 335 Cb -0.06 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2qpu h GLN 335 CO -0.06 0.86 -0.27 0.82 -0.67 0.00 0.00 178.83 179.51 2qpu h ILE 336 N 0.72 1.29 -0.83 2.54 2.04 -0.85 -2.15 117.51 120.27 2qpu h ILE 336 Ca 0.15 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 2qpu h ILE 336 Cb 0.44 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 2qpu h ILE 336 CO 0.02 0.47 0.43 0.00 0.00 0.00 0.00 178.15 179.07 2qpu h ALA 337 N 0.76 1.21 -0.86 1.87 0.00 -1.24 -1.23 119.26 119.77 2qpu h ALA 337 Ca 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2qpu h ALA 337 Cb 0.84 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2qpu h ALA 337 CO 0.07 0.63 0.42 0.00 0.00 0.00 0.00 179.25 180.37 2qpu h ALA 338 N 1.31 1.12 -0.51 0.00 0.00 -1.07 -0.49 119.26 119.61 2qpu h ALA 338 Ca 0.29 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2qpu h ALA 338 Cb 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2qpu h ALA 338 CO -0.04 0.67 -0.16 -0.07 0.00 0.00 0.00 179.25 179.64 2qpu h LEU 339 N 1.22 1.02 -0.68 0.00 3.38 -0.71 -2.05 115.31 117.49 2qpu h LEU 339 Ca 0.30 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2qpu h LEU 339 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2qpu h LEU 339 CO -0.04 1.16 -0.04 0.58 0.09 0.00 0.00 178.44 180.19 2qpu h VAL 340 N 0.88 1.26 -0.85 1.22 2.07 -0.89 -1.79 116.25 118.15 2qpu h VAL 340 Ca 0.13 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.49 2qpu h VAL 340 Cb 0.73 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2qpu h VAL 340 CO 0.06 0.41 0.56 0.00 0.02 0.00 0.00 177.57 178.62 2qpu h ALA 341 N 1.05 1.08 -0.59 1.67 0.00 -0.88 0.41 119.26 122.00 2qpu h ALA 341 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2qpu h ALA 341 Cb 0.57 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2qpu h ALA 341 CO 0.03 0.49 0.16 0.82 0.00 0.00 0.00 179.25 180.76 2qpu h ILE 342 N 1.16 1.25 -0.17 0.00 2.04 -1.08 -0.56 117.51 120.14 2qpu h ILE 342 Ca 0.31 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2qpu h ILE 342 Cb -0.12 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2qpu h ILE 342 CO -0.07 0.33 0.10 -0.09 0.00 0.00 0.00 178.15 178.43 2qpu h ARG 343 N 0.85 0.22 0.34 2.37 2.43 -0.60 -2.76 114.38 117.23 2qpu h ARG 343 Ca 0.19 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2qpu h ARG 343 Cb 0.33 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2qpu h ARG 343 CO -0.00 0.17 -0.16 -0.22 -1.51 0.00 0.00 179.97 178.25 2qpu h LYS 344 N 0.21 -0.43 0.00 0.20 3.64 -0.73 -1.78 116.57 117.67 2qpu h LYS 344 Ca 0.06 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2qpu h LYS 344 Cb 0.00 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2qpu h LYS 344 CO -0.01 -0.16 -0.00 0.07 -2.27 0.00 0.00 179.45 177.07 2qpu h ARG 345 N -0.67 0.00 -0.46 1.90 0.11 -1.14 -0.71 114.38 113.41 2qpu h ARG 345 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2qpu h ARG 345 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 2qpu h ARG 345 CO 0.08 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.24 2qpu n ASN 346 N -3.12 3.17 -1.90 0.08 3.02 -1.04 -4.95 115.26 110.53 2qpu n ASN 346 Ca -0.02 -1.96 -0.19 0.00 -0.03 0.00 0.00 54.58 52.38 2qpu n ASN 346 Cb 0.13 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 2qpu n ASN 346 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qpu n GLY 347 N 1.45 0.34 3.73 7.41 0.00 -0.27 -4.96 105.19 112.89 2qpu n GLY 347 Ca 0.20 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2qpu n GLY 347 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qpu s ILE 348 N -2.85 3.75 0.31 -0.61 1.01 -0.68 -4.97 121.20 117.17 2qpu s ILE 348 Ca 0.00 1.44 0.04 0.00 0.00 0.00 0.00 60.65 62.14 2qpu s ILE 348 Cb 0.00 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 2qpu s ILE 348 CO 0.00 0.22 0.15 0.35 0.00 0.00 0.00 174.94 175.66 2qpu n THR 349 N 2.71 0.00 0.06 2.92 -2.24 -1.26 -4.68 114.28 111.79 2qpu n THR 349 Ca 0.05 -1.96 0.14 0.00 -2.27 0.00 0.00 64.05 60.00 2qpu n THR 349 Cb 0.45 0.79 0.63 0.00 -2.10 0.00 0.00 70.33 70.10 2qpu n THR 349 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qpu h ALA 350 N 1.66 2.22 -0.64 6.98 0.00 -1.90 -2.10 119.26 125.48 2qpu h ALA 350 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2qpu h ALA 350 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2qpu h ALA 350 CO 0.37 -0.32 0.00 0.25 0.00 0.00 0.00 179.25 179.55 2qpu n THR 351 N -4.45 1.94 -1.66 0.00 -2.24 -1.26 -0.89 114.28 105.72 2qpu n THR 351 Ca 0.06 -1.20 -0.37 0.00 -2.27 0.00 0.00 64.05 60.27 2qpu n THR 351 Cb 0.38 0.06 0.08 0.00 -2.10 0.00 0.00 70.33 68.75 2qpu n THR 351 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2qpu s SER 352 N -0.87 4.46 0.24 3.42 0.01 -0.79 -4.96 113.70 115.21 2qpu s SER 352 Ca 0.51 2.60 -0.30 0.00 1.31 0.00 0.00 55.95 60.08 2qpu s SER 352 Cb 0.34 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.86 2qpu s SER 352 CO 0.24 -2.10 0.94 0.00 0.41 0.00 0.00 173.24 172.72 2qpu s ALA 353 N -1.48 3.34 -0.15 1.44 0.00 -1.26 -4.63 121.76 119.03 2qpu s ALA 353 Ca 0.82 0.62 0.02 0.00 0.00 0.00 0.00 51.96 53.41 2qpu s ALA 353 Cb -0.37 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2qpu s ALA 353 CO 0.41 0.21 -0.20 -1.17 0.00 0.00 0.00 175.76 175.01 2qpu s LEU 354 N -1.17 2.19 -0.26 0.00 2.96 -1.26 -1.13 118.68 120.01 2qpu s LEU 354 Ca 0.41 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2qpu s LEU 354 Cb -0.26 -1.47 0.06 0.00 0.50 0.00 0.00 46.19 45.02 2qpu s LEU 354 CO 0.32 0.07 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.59 2qpu s LYS 355 N 0.85 2.01 -0.16 1.98 2.20 0.03 -4.99 119.74 121.66 2qpu s LYS 355 Ca -0.06 -1.30 -0.26 0.00 -0.36 0.00 0.00 55.97 53.99 2qpu s LYS 355 Cb -0.15 -2.83 -0.01 0.00 -1.51 0.00 0.00 37.83 33.32 2qpu s LYS 355 CO -0.02 -0.61 0.87 0.42 -0.36 0.00 0.00 175.35 175.64 2qpu s ILE 356 N 1.16 4.86 -0.10 5.43 1.01 -1.26 -0.17 121.20 132.12 2qpu s ILE 356 Ca -0.06 1.72 0.21 0.00 0.00 0.00 0.00 60.65 62.51 2qpu s ILE 356 Cb -0.20 -4.17 -0.24 0.00 0.01 0.00 0.00 42.46 37.86 2qpu s ILE 356 CO -0.06 0.02 0.58 0.18 0.00 0.00 0.00 174.94 175.66 2qpu n LEU 357 N 5.22 0.25 -3.64 2.97 4.77 0.68 -4.96 117.00 122.30 2qpu n LEU 357 Ca 0.05 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 2qpu n LEU 357 Cb 0.49 0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2qpu n LEU 357 CO 0.49 0.04 0.37 -0.32 -1.33 0.00 0.00 177.39 176.64 2qpu s MET 358 N -3.31 0.75 -0.39 3.23 0.00 -0.87 -4.92 119.30 113.80 2qpu s MET 358 Ca -0.06 1.15 0.09 0.00 0.00 0.00 0.00 55.69 56.87 2qpu s MET 358 Cb 0.12 0.23 0.30 0.00 0.00 0.00 0.00 34.83 35.47 2qpu s MET 358 CO 0.87 -0.13 0.68 -2.39 0.00 0.00 0.00 175.02 174.04 2qpu n HIS 359 N 3.77 -0.54 -3.42 4.11 1.44 -1.25 -0.73 115.22 118.60 2qpu n HIS 359 Ca -0.18 -3.43 -0.19 0.00 -2.01 0.00 0.00 57.72 51.90 2qpu n HIS 359 Cb 0.58 -0.09 -0.01 0.00 0.12 0.00 0.00 29.99 30.58 2qpu n HIS 359 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2qpu s GLU 360 N -1.47 2.75 0.23 -1.40 2.02 0.05 -3.94 118.70 116.95 2qpu s GLU 360 Ca 0.36 -1.32 -0.09 0.00 0.02 0.00 0.00 54.97 53.95 2qpu s GLU 360 Cb 0.26 -2.58 0.37 0.00 0.10 0.00 0.00 34.13 32.27 2qpu s GLU 360 CO -0.10 -0.12 1.66 0.78 0.02 0.00 0.00 175.26 177.49 2qpu h GLY 361 N 0.93 0.78 -2.65 -1.39 0.00 -1.89 -2.40 103.07 96.45 2qpu h GLY 361 Ca -0.42 0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2qpu h GLY 361 CO 0.53 -0.22 0.00 2.09 0.00 0.00 0.00 176.54 178.94 2qpu n ASP 362 N -5.27 3.98 -3.63 0.19 5.75 -1.26 -1.90 116.55 114.41 2qpu n ASP 362 Ca 0.11 -2.04 -0.04 0.00 -0.01 0.00 0.00 54.79 52.81 2qpu n ASP 362 Cb 0.41 -0.48 -0.06 0.00 -1.03 0.00 0.00 41.12 39.95 2qpu n ASP 362 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qpu s ALA 363 N -1.08 -2.01 -0.11 2.12 0.00 -0.91 -2.08 121.76 117.69 2qpu s ALA 363 Ca 0.48 2.36 0.02 0.00 0.00 0.00 0.00 51.96 54.82 2qpu s ALA 363 Cb 0.25 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.80 2qpu s ALA 363 CO 0.32 -0.55 -0.17 -0.47 0.00 0.00 0.00 175.76 174.88 2qpu s TYR 364 N 1.99 2.09 -0.04 0.00 5.04 -0.84 -0.77 117.35 124.82 2qpu s TYR 364 Ca -0.08 -0.96 0.02 0.00 -2.44 0.00 0.00 57.07 53.61 2qpu s TYR 364 Cb -0.07 -1.48 0.01 0.00 0.35 0.00 0.00 41.96 40.78 2qpu s TYR 364 CO -0.19 -0.47 -0.09 0.08 -1.34 0.00 0.00 175.55 173.54 2qpu s VAL 365 N 0.86 0.78 0.02 3.14 1.01 0.09 -1.65 120.40 124.64 2qpu s VAL 365 Ca -0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 2qpu s VAL 365 Cb -0.15 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 2qpu s VAL 365 CO 0.00 0.26 0.08 0.00 0.00 0.00 0.00 175.10 175.43 2qpu s ALA 366 N 0.41 -0.09 -0.15 5.51 0.00 -0.37 -0.23 121.76 126.84 2qpu s ALA 366 Ca -0.07 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2qpu s ALA 366 Cb -0.11 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 2qpu s ALA 366 CO 0.01 -0.25 -0.17 -2.00 0.00 0.00 0.00 175.76 173.36 2qpu s GLU 367 N -1.99 3.19 -0.17 0.00 2.12 0.76 -0.97 118.70 121.65 2qpu s GLU 367 Ca -0.10 -0.77 -0.03 0.00 0.36 0.00 0.00 54.97 54.43 2qpu s GLU 367 Cb -0.05 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 2qpu s GLU 367 CO -0.02 0.04 -0.06 0.42 -0.54 0.00 0.00 175.26 175.11 2qpu s ILE 368 N 0.74 3.60 -1.36 -3.70 1.09 0.10 -0.79 121.20 120.88 2qpu s ILE 368 Ca -0.07 -0.45 0.00 0.00 -1.10 0.00 0.00 60.65 59.03 2qpu s ILE 368 Cb -0.16 -2.58 0.00 0.00 -1.06 0.00 0.00 42.46 38.66 2qpu s ILE 368 CO 0.01 0.48 0.00 0.47 -0.10 0.00 0.00 174.94 175.80 2qpu n ASP 369 N 3.85 -3.49 -1.04 3.58 8.00 -0.28 -1.09 116.55 126.08 2qpu n ASP 369 Ca -0.18 0.31 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 2qpu n ASP 369 Cb 0.52 -3.24 -0.06 0.00 -0.02 0.00 0.00 41.12 38.32 2qpu n ASP 369 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qpu n GLY 370 N -0.29 1.33 0.01 0.44 0.00 -1.26 -4.78 105.19 100.63 2qpu n GLY 370 Ca -0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 2qpu n GLY 370 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qpu n LYS 371 N -1.56 3.05 -4.57 1.61 5.02 -0.25 -4.90 118.16 116.57 2qpu n LYS 371 Ca -0.14 -0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.93 2qpu n LYS 371 Cb 0.58 -1.04 -0.15 0.00 -0.02 0.00 0.00 35.03 34.39 2qpu n LYS 371 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qpu s VAL 372 N -2.06 1.01 -0.05 -0.18 1.01 -0.92 -2.31 120.40 116.90 2qpu s VAL 372 Ca -0.01 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.51 2qpu s VAL 372 Cb 0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2qpu s VAL 372 CO 0.07 0.29 -0.24 -0.69 0.00 0.00 0.00 175.10 174.54 2qpu s VAL 373 N -0.13 1.94 0.02 2.92 1.01 -0.64 0.01 120.40 125.53 2qpu s VAL 373 Ca 0.02 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.04 2qpu s VAL 373 Cb -0.07 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2qpu s VAL 373 CO 0.00 0.54 -0.13 0.54 0.00 0.00 0.00 175.10 176.05 2qpu s VAL 374 N -0.13 1.01 -0.01 2.92 0.11 -0.15 -0.18 120.40 123.98 2qpu s VAL 374 Ca -0.04 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 2qpu s VAL 374 Cb -0.13 -0.90 -0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2qpu s VAL 374 CO 0.03 0.08 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.07 2qpu s LYS 375 N -0.85 0.59 0.07 1.54 2.36 -0.09 -1.23 119.74 122.13 2qpu s LYS 375 Ca 0.02 -0.23 0.02 0.00 -2.55 0.00 0.00 55.97 53.24 2qpu s LYS 375 Cb -0.07 -0.58 -0.03 0.00 -1.05 0.00 0.00 37.83 36.11 2qpu s LYS 375 CO 0.01 0.12 -0.08 0.96 1.55 0.00 0.00 175.35 177.91 2qpu s ILE 376 N -0.03 0.65 0.00 5.43 -4.36 -0.66 -1.41 121.20 120.82 2qpu s ILE 376 Ca 0.01 -1.48 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 2qpu s ILE 376 Cb -0.04 -1.12 0.00 0.00 1.25 0.00 0.00 42.46 42.55 2qpu s ILE 376 CO -0.00 -0.60 0.00 0.61 0.24 0.00 0.00 174.94 175.19 2qpu n GLY 377 N 0.77 3.22 0.20 6.27 0.00 -0.41 -1.98 105.19 113.26 2qpu n GLY 377 Ca -0.18 -1.95 0.07 0.00 0.00 0.00 0.00 46.02 43.96 2qpu n GLY 377 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qpu h PRO 378 N 0.00 0.00 -6.32 1.61 0.13 -1.82 -3.42 132.00 122.18 2qpu h PRO 378 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 2qpu h PRO 378 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2qpu h PRO 378 CO 0.00 0.33 1.19 0.50 -0.23 0.00 0.00 178.00 179.79 2qpu s ARG 379 N -3.56 4.14 0.05 0.86 3.52 -0.88 -4.89 118.95 118.19 2qpu s ARG 379 Ca 0.01 2.46 -0.20 0.00 -0.13 0.00 0.00 55.73 57.87 2qpu s ARG 379 Cb 0.10 -4.10 -0.14 0.00 -1.56 0.00 0.00 34.95 29.25 2qpu s ARG 379 CO 0.67 -0.93 1.35 -0.92 -0.81 0.00 0.00 175.30 174.66 2qpu h TYR 380 N 10.28 0.47 -3.64 5.12 3.20 -1.91 -3.44 116.97 127.06 2qpu h TYR 380 Ca -0.46 -0.14 -0.62 0.00 3.14 0.00 0.00 58.73 60.65 2qpu h TYR 380 Cb 1.22 -0.10 -0.14 0.00 1.54 0.00 0.00 36.73 39.25 2qpu h TYR 380 CO 0.93 0.78 -0.25 0.34 -1.64 0.00 0.00 178.16 178.32 2qpu s ASP 381 N -6.18 6.29 0.00 -2.11 2.15 -1.26 -4.87 116.67 110.70 2qpu s ASP 381 Ca -0.14 0.34 0.07 0.00 0.43 0.00 0.00 52.55 53.25 2qpu s ASP 381 Cb 0.06 -2.21 0.12 0.00 -0.30 0.00 0.00 42.92 40.59 2qpu s ASP 381 CO 0.76 -0.13 1.01 1.33 -0.17 0.00 0.00 175.17 177.97 2qpu n VAL 382 N 4.81 0.00 -0.03 1.11 0.24 -1.26 -4.92 118.33 118.28 2qpu n VAL 382 Ca -0.09 -0.27 0.08 0.00 -2.04 0.00 0.00 64.34 62.02 2qpu n VAL 382 Cb 0.51 0.60 0.47 0.00 -1.47 0.00 0.00 33.84 33.94 2qpu n VAL 382 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2qpu h GLY 383 N 0.27 0.56 2.00 7.63 0.00 -1.97 -2.35 103.07 109.21 2qpu h GLY 383 Ca -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 2qpu h GLY 383 CO 0.02 0.15 -0.01 0.00 0.00 0.00 0.00 176.54 176.70 2qpu h ALA 384 N 1.73 1.01 -0.01 3.60 0.00 -2.03 -2.74 119.26 120.81 2qpu h ALA 384 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2qpu h ALA 384 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qpu h ALA 384 CO -0.05 0.01 -0.50 1.55 0.00 0.00 0.00 179.25 180.26 2qpu n VAL 385 N -3.11 0.00 -2.55 0.00 3.14 -0.89 -4.90 118.33 110.02 2qpu n VAL 385 Ca -0.00 -0.19 -0.43 0.00 -2.96 0.00 0.00 64.34 60.76 2qpu n VAL 385 Cb 0.25 1.01 -0.02 0.00 -1.06 0.00 0.00 33.84 34.03 2qpu n VAL 385 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2qpu s ILE 386 N -2.57 4.50 0.86 1.55 -1.09 -1.04 -5.01 121.20 118.41 2qpu s ILE 386 Ca 0.18 1.81 -0.12 0.00 -2.23 0.00 0.00 60.65 60.30 2qpu s ILE 386 Cb 0.18 -4.17 0.11 0.00 -1.58 0.00 0.00 42.46 37.00 2qpu s ILE 386 CO 0.60 -0.15 1.17 -2.65 -1.23 0.00 0.00 174.94 172.68 2qpu n PRO 387 N 6.36 -0.13 -2.09 2.79 -0.02 -1.26 -4.95 135.00 135.70 2qpu n PRO 387 Ca 0.13 0.04 -0.38 0.00 -2.02 0.00 0.00 63.50 61.27 2qpu n PRO 387 Cb 0.46 -2.40 0.01 0.00 -0.02 0.00 0.00 33.50 31.54 2qpu n PRO 387 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qpu s ALA 388 N -2.37 2.96 0.00 3.55 0.00 -1.26 -3.25 121.76 121.39 2qpu s ALA 388 Ca 0.70 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2qpu s ALA 388 Cb -0.26 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2qpu s ALA 388 CO 0.54 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2qpu n GLY 389 N 0.56 0.94 3.83 0.00 0.00 -1.26 -5.05 105.19 104.20 2qpu n GLY 389 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2qpu n GLY 389 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qpu s PHE 390 N -2.43 3.62 -0.01 1.61 0.40 -1.20 -4.35 117.98 115.61 2qpu s PHE 390 Ca 0.00 0.74 0.03 0.00 -0.60 0.00 0.00 56.93 57.10 2qpu s PHE 390 Cb 0.00 -2.18 -0.00 0.00 0.51 0.00 0.00 43.02 41.35 2qpu s PHE 390 CO 0.00 0.58 -0.10 0.14 0.70 0.00 0.00 175.22 176.54 2qpu s VAL 391 N -0.71 0.81 0.21 -0.44 -7.23 -0.82 -4.90 120.40 107.33 2qpu s VAL 391 Ca 0.19 -0.42 -0.32 0.00 -1.81 0.00 0.00 61.98 59.62 2qpu s VAL 391 Cb -0.14 -0.69 -0.13 0.00 0.56 0.00 0.00 36.38 35.97 2qpu s VAL 391 CO 0.08 0.24 1.59 0.41 -0.31 0.00 0.00 175.10 177.11 2qpu n THR 392 N 2.98 0.36 0.00 5.32 -1.04 -1.26 -1.37 114.28 119.26 2qpu n THR 392 Ca -0.15 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2qpu n THR 392 Cb 0.56 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 2qpu n THR 392 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2qpu n SER 393 N 3.12 2.51 -3.60 8.00 3.41 0.28 -4.88 113.62 122.45 2qpu n SER 393 Ca 0.14 -0.17 -0.16 0.00 -0.26 0.00 0.00 58.87 58.43 2qpu n SER 393 Cb 0.32 0.84 -0.07 0.00 -0.26 0.00 0.00 64.21 65.04 2qpu n SER 393 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qpu s ALA 394 N -1.34 -1.66 0.08 7.33 0.00 -1.14 -5.02 121.76 120.03 2qpu s ALA 394 Ca 0.00 1.55 -0.26 0.00 0.00 0.00 0.00 51.96 53.25 2qpu s ALA 394 Cb 0.00 -0.55 0.09 0.00 0.00 0.00 0.00 23.12 22.66 2qpu s ALA 394 CO 0.00 -0.34 0.74 -3.38 0.00 0.00 0.00 175.76 172.78 2qpu s HIS 395 N -0.43 -0.45 0.00 0.00 -3.43 -1.26 -0.09 115.29 109.63 2qpu s HIS 395 Ca -0.06 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.48 2qpu s HIS 395 Cb -0.03 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.67 2qpu s HIS 395 CO 0.05 -0.70 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 2qpu n GLY 396 N -0.31 2.40 3.59 -1.38 0.00 -0.56 -4.99 105.19 103.95 2qpu n GLY 396 Ca -0.13 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2qpu n GLY 396 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qpu s ASN 397 N 2.00 5.54 -1.65 1.61 0.01 -1.26 -2.92 114.94 118.27 2qpu s ASN 397 Ca 0.00 1.56 -0.03 0.00 -0.71 0.00 0.00 52.86 53.68 2qpu s ASN 397 Cb 0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.15 2qpu s ASN 397 CO 0.00 -1.95 0.38 0.47 -1.51 0.00 0.00 177.10 174.49 2qpu n ASP 398 N 11.51 -6.07 -3.59 -1.22 8.00 -1.26 -4.69 116.55 119.23 2qpu n ASP 398 Ca 0.27 -0.19 -0.16 0.00 0.71 0.00 0.00 54.79 55.43 2qpu n ASP 398 Cb 0.47 -4.96 -0.06 0.00 -0.02 0.00 0.00 41.12 36.54 2qpu n ASP 398 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2qpu s TYR 399 N -3.13 -0.50 -0.06 1.24 1.13 -1.15 -1.29 117.35 113.59 2qpu s TYR 399 Ca 0.19 0.79 -0.25 0.00 -1.41 0.00 0.00 57.07 56.39 2qpu s TYR 399 Cb -0.08 0.32 0.06 0.00 -1.10 0.00 0.00 41.96 41.16 2qpu s TYR 399 CO 0.23 -0.56 0.57 0.00 -2.51 0.00 0.00 175.55 173.28 2qpu s ALA 400 N -1.47 -1.46 -0.01 9.51 0.00 -0.50 -1.50 121.76 126.33 2qpu s ALA 400 Ca -0.11 1.09 0.04 0.00 0.00 0.00 0.00 51.96 52.98 2qpu s ALA 400 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2qpu s ALA 400 CO 0.06 -0.33 -0.12 0.08 0.00 0.00 0.00 175.76 175.46 2qpu s VAL 401 N -1.03 0.92 0.15 0.00 1.01 0.87 -0.91 120.40 121.41 2qpu s VAL 401 Ca -0.10 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.48 2qpu s VAL 401 Cb -0.02 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2qpu s VAL 401 CO 0.07 0.26 -0.24 0.26 0.00 0.00 0.00 175.10 175.45 2qpu s TRP 402 N -0.28 2.16 0.03 5.22 0.51 0.75 -0.56 118.94 126.78 2qpu s TRP 402 Ca 0.04 -0.39 0.04 0.00 -2.12 0.00 0.00 56.10 53.68 2qpu s TRP 402 Cb -0.05 -1.13 -0.02 0.00 -0.81 0.00 0.00 33.47 31.47 2qpu s TRP 402 CO -0.00 0.37 -0.12 -1.21 -0.51 0.00 0.00 176.95 175.47 2qpu s GLU 403 N -2.33 0.82 0.00 4.98 2.02 -0.47 -1.61 118.70 122.11 2qpu s GLU 403 Ca 0.15 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.46 2qpu s GLU 403 Cb -0.09 -0.79 0.01 0.00 0.10 0.00 0.00 34.13 33.36 2qpu s GLU 403 CO 0.07 0.19 0.53 1.17 0.02 0.00 0.00 175.26 177.25