#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q0h h MET 1 N 0.00 0.51 -3.47 -1.09 4.05 -1.77 -3.27 114.93 109.90 2q0h h MET 1 Ca 0.00 -0.46 -0.41 0.00 -0.28 0.00 0.00 59.70 58.55 2q0h h MET 1 Cb 0.00 0.11 -0.39 0.00 -0.80 0.00 0.00 31.60 30.52 2q0h h MET 1 CO 0.00 1.09 -0.75 0.42 0.23 0.00 0.00 176.91 177.90 2q0h s ILE 2 N -3.54 0.12 -0.11 1.77 1.01 0.96 0.10 121.20 121.52 2q0h s ILE 2 Ca -0.13 0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 2q0h s ILE 2 Cb 0.05 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 42.17 2q0h s ILE 2 CO 0.83 0.17 -0.07 -0.62 0.00 0.00 0.00 174.94 175.25 2q0h s ASP 3 N 2.07 2.09 -0.04 3.58 -1.08 -0.23 0.08 116.67 123.14 2q0h s ASP 3 Ca 0.05 -0.28 0.03 0.00 -0.52 0.00 0.00 52.55 51.83 2q0h s ASP 3 Cb -0.13 -0.80 0.00 0.00 -1.46 0.00 0.00 42.92 40.54 2q0h s ASP 3 CO -0.05 -0.12 -0.14 -0.69 0.52 0.00 0.00 175.17 174.70 2q0h s VAL 4 N 1.68 1.17 -0.06 1.11 1.01 0.86 -0.11 120.40 126.07 2q0h s VAL 4 Ca 0.04 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2q0h s VAL 4 Cb -0.13 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.24 2q0h s VAL 4 CO -0.07 0.35 -0.13 -2.28 0.00 0.00 0.00 175.10 172.97 2q0h s HIS 5 N 0.20 1.46 -0.93 5.22 2.46 -0.63 -2.26 115.29 120.80 2q0h s HIS 5 Ca -0.05 -0.51 -0.05 0.00 0.47 0.00 0.00 55.06 54.92 2q0h s HIS 5 Cb -0.11 -1.06 0.01 0.00 -0.13 0.00 0.00 32.58 31.29 2q0h s HIS 5 CO 0.02 -0.25 0.09 0.00 -2.47 0.00 0.00 174.74 172.12 2q0h n GLN 6 N 3.68 -0.87 -2.22 2.88 10.64 -0.88 -1.89 117.38 128.72 2q0h n GLN 6 Ca -0.22 0.01 -0.42 0.00 -1.83 0.00 0.00 57.00 54.55 2q0h n GLN 6 Cb 0.52 -2.04 -0.03 0.00 -0.86 0.00 0.00 30.24 27.83 2q0h n GLN 6 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2q0h s LEU 7 N -5.93 4.39 0.02 2.61 2.96 -0.58 -3.15 118.68 119.00 2q0h s LEU 7 Ca 0.06 2.32 0.02 0.00 -0.22 0.00 0.00 54.13 56.30 2q0h s LEU 7 Cb -0.04 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 2q0h s LEU 7 CO 0.63 -0.58 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.48 2q0h s LYS 8 N 0.65 0.42 -0.19 1.98 1.02 -0.95 -0.69 119.74 121.99 2q0h s LYS 8 Ca 0.61 -0.48 -0.16 0.00 0.02 0.00 0.00 55.97 55.96 2q0h s LYS 8 Cb -0.36 -0.26 0.05 0.00 -0.52 0.00 0.00 37.83 36.75 2q0h s LYS 8 CO 0.33 0.05 0.50 0.21 -0.92 0.00 0.00 175.35 175.52 2q0h s LYS 9 N -0.93 0.57 0.03 1.68 2.47 -0.94 -1.21 119.74 121.41 2q0h s LYS 9 Ca -0.06 0.72 0.02 0.00 -1.56 0.00 0.00 55.97 55.09 2q0h s LYS 9 Cb -0.06 0.24 -0.02 0.00 -1.46 0.00 0.00 37.83 36.53 2q0h s LYS 9 CO -0.00 -0.08 -0.06 -1.12 0.16 0.00 0.00 175.35 174.25 2q0h s SER 10 N 0.44 0.65 -0.73 1.43 0.01 -1.26 -1.19 113.70 113.04 2q0h s SER 10 Ca -0.01 -0.46 -0.02 0.00 1.31 0.00 0.00 55.95 56.77 2q0h s SER 10 Cb -0.04 0.04 0.18 0.00 0.21 0.00 0.00 66.02 66.41 2q0h s SER 10 CO -0.02 -0.18 0.57 -0.36 0.41 0.00 0.00 173.24 173.66 2q0h s PHE 11 N -1.18 3.59 0.00 2.43 0.08 -0.31 -4.94 117.98 117.66 2q0h s PHE 11 Ca -0.09 -2.91 0.00 0.00 0.12 0.00 0.00 56.93 54.05 2q0h s PHE 11 Cb -0.09 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 2q0h s PHE 11 CO -0.00 -0.77 0.00 0.41 -0.10 0.00 0.00 175.22 174.76 2q0h n GLY 12 N 2.89 1.56 0.95 4.36 0.00 -1.26 -3.43 105.19 110.26 2q0h n GLY 12 Ca 0.14 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.45 2q0h n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2q0h n SER 13 N 4.82 3.51 -4.21 1.61 7.64 -1.26 -4.89 113.62 120.84 2q0h n SER 13 Ca 0.00 -3.21 -0.37 0.00 1.01 0.00 0.00 58.87 56.31 2q0h n SER 13 Cb 0.00 -0.57 -0.12 0.00 -1.01 0.00 0.00 64.21 62.51 2q0h n SER 13 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2q0h s LEU 14 N -2.94 4.42 -0.63 -3.43 1.43 -1.22 -5.06 118.68 111.25 2q0h s LEU 14 Ca 0.43 -1.39 -0.28 0.00 -1.03 0.00 0.00 54.13 51.86 2q0h s LEU 14 Cb 0.36 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.79 2q0h s LEU 14 CO 0.07 -0.36 1.28 -0.70 0.23 0.00 0.00 176.35 176.86 2q0h s GLU 15 N 1.30 3.35 -0.02 1.70 2.12 -1.26 -1.16 118.70 124.73 2q0h s GLU 15 Ca -0.01 0.13 -0.20 0.00 0.36 0.00 0.00 54.97 55.25 2q0h s GLU 15 Cb -0.21 -4.10 -0.28 0.00 0.26 0.00 0.00 34.13 29.80 2q0h s GLU 15 CO 0.00 -1.91 0.99 0.28 -0.54 0.00 0.00 175.26 174.08 2q0h h VAL 16 N 6.17 1.46 -3.28 3.70 2.07 -1.51 -3.43 116.25 121.42 2q0h h VAL 16 Ca -0.26 -2.36 -0.66 0.00 0.82 0.00 0.00 66.70 64.23 2q0h h VAL 16 Cb 1.06 2.93 -0.30 0.00 -1.52 0.00 0.00 31.29 33.47 2q0h h VAL 16 CO 1.22 0.68 -0.78 -0.76 0.02 0.00 0.00 177.57 177.94 2q0h s LEU 17 N -8.05 2.57 -0.38 2.57 1.43 -0.84 -3.82 118.68 112.17 2q0h s LEU 17 Ca -0.13 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2q0h s LEU 17 Cb 0.02 -1.60 0.52 0.00 0.03 0.00 0.00 46.19 45.16 2q0h s LEU 17 CO 0.84 0.06 1.59 0.29 0.23 0.00 0.00 176.35 179.36 2q0h n LYS 18 N 4.23 2.27 0.00 1.70 5.02 -0.02 -2.22 118.16 129.14 2q0h n LYS 18 Ca -0.19 -3.31 0.00 0.00 -2.02 0.00 0.00 58.31 52.79 2q0h n LYS 18 Cb 0.51 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 2q0h n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q0h n GLY 19 N -1.05 0.81 3.78 0.72 0.00 0.11 -4.97 105.19 104.60 2q0h n GLY 19 Ca 0.44 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2q0h n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q0h s ILE 20 N -0.03 5.35 -0.13 -0.61 -1.09 0.13 -4.68 121.20 120.15 2q0h s ILE 20 Ca 0.00 0.42 0.03 0.00 -2.23 0.00 0.00 60.65 58.86 2q0h s ILE 20 Cb 0.00 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.34 2q0h s ILE 20 CO 0.00 0.49 -0.22 0.20 -1.23 0.00 0.00 174.94 174.18 2q0h s ASN 21 N -0.17 3.06 -0.20 3.58 0.01 -1.26 -1.53 114.94 118.42 2q0h s ASN 21 Ca 0.15 -0.58 -0.14 0.00 -0.71 0.00 0.00 52.86 51.58 2q0h s ASN 21 Cb -0.13 -1.41 0.06 0.00 0.41 0.00 0.00 41.25 40.18 2q0h s ASN 21 CO 0.04 0.10 0.51 -0.69 -1.51 0.00 0.00 177.10 175.55 2q0h s VAL 22 N 0.70 -0.01 -0.23 1.60 1.01 -0.96 -5.02 120.40 117.50 2q0h s VAL 22 Ca -0.10 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2q0h s VAL 22 Cb -0.16 -0.74 0.07 0.00 0.00 0.00 0.00 36.38 35.55 2q0h s VAL 22 CO 0.01 0.02 0.07 -1.00 0.00 0.00 0.00 175.10 174.19 2q0h s HIS 23 N 1.12 0.93 -0.17 5.22 3.76 -1.26 -0.10 115.29 124.79 2q0h s HIS 23 Ca -0.07 -0.94 -0.02 0.00 -0.15 0.00 0.00 55.06 53.88 2q0h s HIS 23 Cb -0.06 -1.09 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 2q0h s HIS 23 CO -0.10 -0.68 -0.10 0.42 -0.85 0.00 0.00 174.74 173.43 2q0h s ILE 24 N 1.89 3.14 0.21 0.60 1.01 0.11 -4.99 121.20 123.17 2q0h s ILE 24 Ca 0.03 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.08 2q0h s ILE 24 Cb -0.17 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2q0h s ILE 24 CO -0.15 0.48 0.39 0.00 0.00 0.00 0.00 174.94 175.65 2q0h s ARG 25 N 0.91 3.49 0.16 2.79 1.70 -1.26 -0.02 118.95 126.72 2q0h s ARG 25 Ca -0.02 -0.43 -0.33 0.00 -0.47 0.00 0.00 55.73 54.48 2q0h s ARG 25 Cb -0.15 -2.85 -0.16 0.00 -0.57 0.00 0.00 34.95 31.22 2q0h s ARG 25 CO 0.00 0.40 1.05 -1.91 -1.08 0.00 0.00 175.30 173.76 2q0h n GLU 26 N -0.83 0.86 0.00 3.89 2.13 -1.26 -1.44 120.64 123.99 2q0h n GLU 26 Ca -0.06 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.07 2q0h n GLU 26 Cb 0.54 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.53 2q0h n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2q0h n GLY 27 N 1.89 2.25 3.78 8.31 0.00 -1.23 -4.98 105.19 115.20 2q0h n GLY 27 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2q0h n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2q0h s GLU 28 N -0.44 4.43 -0.29 1.61 2.12 -0.52 -4.75 118.70 120.85 2q0h s GLU 28 Ca 0.00 1.48 -0.01 0.00 0.36 0.00 0.00 54.97 56.80 2q0h s GLU 28 Cb 0.00 -2.77 0.05 0.00 0.26 0.00 0.00 34.13 31.68 2q0h s GLU 28 CO 0.00 0.10 -0.02 0.08 -0.54 0.00 0.00 175.26 174.88 2q0h s VAL 29 N -1.55 2.80 -0.22 3.70 1.01 -1.26 -1.59 120.40 123.29 2q0h s VAL 29 Ca 0.52 -1.47 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 2q0h s VAL 29 Cb -0.22 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 2q0h s VAL 29 CO 0.28 -0.11 0.01 -0.69 0.00 0.00 0.00 175.10 174.59 2q0h s VAL 30 N 1.21 3.87 -0.15 2.92 1.01 0.61 -0.15 120.40 129.73 2q0h s VAL 30 Ca -0.06 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2q0h s VAL 30 Cb -0.20 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 2q0h s VAL 30 CO -0.02 0.40 0.16 -0.69 0.00 0.00 0.00 175.10 174.95 2q0h s VAL 31 N 1.33 5.43 -0.15 2.92 1.01 -0.46 0.43 120.40 130.91 2q0h s VAL 31 Ca 0.04 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2q0h s VAL 31 Cb -0.15 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.77 2q0h s VAL 31 CO 0.01 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.79 2q0h s VAL 32 N -0.35 2.68 0.35 2.92 1.01 0.35 -0.76 120.40 126.59 2q0h s VAL 32 Ca 0.13 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.40 2q0h s VAL 32 Cb -0.12 -2.12 -0.07 0.00 0.00 0.00 0.00 36.38 34.07 2q0h s VAL 32 CO 0.02 0.52 -0.02 0.27 0.00 0.00 0.00 175.10 175.89 2q0h s ILE 33 N 0.72 1.80 0.00 2.22 -4.36 -0.48 -2.60 121.20 118.50 2q0h s ILE 33 Ca -0.07 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.24 2q0h s ILE 33 Cb -0.16 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.81 2q0h s ILE 33 CO 0.01 -0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.68 2q0h n GLY 34 N -0.78 4.25 3.64 6.27 0.00 -1.26 -0.75 105.19 116.56 2q0h n GLY 34 Ca -0.05 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 2q0h n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2q0h s PRO 35 N -2.99 0.49 0.52 1.61 0.04 -1.26 -4.95 135.00 128.47 2q0h s PRO 35 Ca 0.00 0.98 -0.21 0.00 0.04 0.00 0.00 61.00 61.81 2q0h s PRO 35 Cb 0.00 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.78 2q0h s PRO 35 CO 0.00 -2.81 1.24 -1.54 0.04 0.00 0.00 177.00 173.93 2q0h s SER 36 N -2.97 5.61 0.00 6.66 1.04 -1.26 -3.00 113.70 119.77 2q0h s SER 36 Ca 0.66 2.49 0.00 0.00 0.48 0.00 0.00 55.95 59.57 2q0h s SER 36 Cb -0.21 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.29 2q0h s SER 36 CO 0.60 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2q0h n GLY 37 N 0.56 0.82 0.02 7.32 0.00 -1.26 -4.93 105.19 107.72 2q0h n GLY 37 Ca 0.10 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.27 2q0h n GLY 37 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2q0h n SER 38 N 0.00 0.08 0.00 1.61 7.64 -1.16 -4.61 113.62 117.18 2q0h n SER 38 Ca 0.00 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.57 2q0h n SER 38 Cb 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2q0h n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2q0h n GLY 39 N 1.26 0.57 0.23 0.23 0.00 -1.26 -3.28 105.19 102.93 2q0h n GLY 39 Ca 0.15 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 2q0h n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q0h h LYS 40 N 0.05 -0.49 -0.57 1.61 1.57 -1.90 0.12 116.57 116.95 2q0h h LYS 40 Ca 0.00 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2q0h h LYS 40 Cb 0.00 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2q0h h LYS 40 CO 0.00 -0.24 0.27 0.77 -0.57 0.00 0.00 179.45 179.69 2q0h h SER 41 N -0.68 0.75 -0.86 0.86 0.02 -1.99 -1.87 113.55 109.78 2q0h h SER 41 Ca -0.05 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.82 2q0h h SER 41 Cb 0.48 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 2q0h h SER 41 CO 0.09 0.67 0.54 0.74 -1.14 0.00 0.00 176.83 177.72 2q0h h THR 42 N 0.77 1.09 0.03 -2.27 2.02 -1.95 0.31 112.91 112.91 2q0h h THR 42 Ca 0.20 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 67.03 2q0h h THR 42 Cb 0.12 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2q0h h THR 42 CO -0.02 0.19 -0.05 0.15 0.37 0.00 0.00 175.52 176.15 2q0h h PHE 43 N 1.02 -0.14 -0.72 3.16 3.57 -0.29 -1.07 116.94 122.47 2q0h h PHE 43 Ca 0.36 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 2q0h h PHE 43 Cb 0.10 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2q0h h PHE 43 CO -0.03 -0.09 0.41 -0.07 -2.23 0.00 0.00 178.31 176.31 2q0h h LEU 44 N -0.11 0.89 -2.09 0.59 3.38 -0.52 -1.71 115.31 115.73 2q0h h LEU 44 Ca 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2q0h h LEU 44 Cb 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2q0h h LEU 44 CO -0.04 0.72 -0.06 0.03 0.09 0.00 0.00 178.44 179.18 2q0h h ARG 45 N 0.99 0.00 -0.02 1.13 3.08 -0.11 -1.70 114.38 117.74 2q0h h ARG 45 Ca 0.26 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.05 2q0h h ARG 45 Cb 0.01 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.08 2q0h h ARG 45 CO -0.04 0.06 -0.98 0.00 -1.07 0.00 0.00 179.97 177.94 2q0h h LEU 47 N 0.38 0.00 -2.36 0.00 3.38 -0.93 -2.56 115.31 113.23 2q0h h LEU 47 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2q0h h LEU 47 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2q0h h LEU 47 CO 0.19 0.12 0.00 -3.20 0.09 0.00 0.00 178.44 175.64 2q0h n ASN 48 N -3.41 3.48 -1.66 -0.43 4.05 -0.71 -4.94 115.26 111.65 2q0h n ASN 48 Ca -0.01 -1.98 -0.18 0.00 0.45 0.00 0.00 54.58 52.86 2q0h n ASN 48 Cb 0.29 -0.34 -0.05 0.00 1.23 0.00 0.00 39.78 40.92 2q0h n ASN 48 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2q0h n LEU 49 N 1.45 -1.52 0.03 1.20 4.77 -0.97 -4.84 117.00 117.13 2q0h n LEU 49 Ca 0.21 0.28 0.11 0.00 -0.03 0.00 0.00 56.01 56.58 2q0h n LEU 49 Cb 0.58 -2.60 0.06 0.00 -2.33 0.00 0.00 43.42 39.13 2q0h n LEU 49 CO 0.16 -0.67 0.08 0.18 -1.33 0.00 0.00 177.39 175.81 2q0h n LEU 50 N -2.28 0.63 -4.00 2.23 4.77 -0.12 -4.89 117.00 113.33 2q0h n LEU 50 Ca -0.20 -0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.68 2q0h n LEU 50 Cb 0.62 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 2q0h n LEU 50 CO 0.27 0.05 -0.32 -0.70 -1.33 0.00 0.00 177.39 175.36 2q0h s GLU 51 N -3.16 0.48 0.21 3.23 2.56 -0.87 -4.98 118.70 116.16 2q0h s GLU 51 Ca 0.05 -0.84 0.06 0.00 0.00 0.00 0.00 54.97 54.25 2q0h s GLU 51 Cb 0.15 0.17 -0.04 0.00 2.00 0.00 0.00 34.13 36.41 2q0h s GLU 51 CO 0.78 -0.09 0.13 0.34 -0.56 0.00 0.00 175.26 175.86 2q0h s ASP 52 N -2.09 5.36 0.24 -1.70 3.68 -1.26 -4.45 116.67 116.45 2q0h s ASP 52 Ca -0.06 -0.25 0.11 0.00 2.13 0.00 0.00 52.55 54.48 2q0h s ASP 52 Cb -0.02 -1.33 -0.05 0.00 -1.45 0.00 0.00 42.92 40.07 2q0h s ASP 52 CO -0.05 0.02 -0.15 0.72 0.13 0.00 0.00 175.17 175.85 2q0h s PHE 53 N -1.95 2.44 -0.17 -5.34 -0.12 -1.26 -4.96 117.98 106.62 2q0h s PHE 53 Ca 0.31 -0.29 -0.20 0.00 -0.05 0.00 0.00 56.93 56.70 2q0h s PHE 53 Cb -0.09 -1.12 -0.22 0.00 -0.63 0.00 0.00 43.02 40.96 2q0h s PHE 53 CO 0.23 0.62 0.37 -0.44 -0.05 0.00 0.00 175.22 175.95 2q0h h ASP 54 N 2.50 0.12 -3.75 1.98 3.32 -1.54 -3.49 116.42 115.55 2q0h h ASP 54 Ca -0.43 -0.69 -0.44 0.00 0.02 0.00 0.00 57.03 55.49 2q0h h ASP 54 Cb 1.24 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 2q0h h ASP 54 CO 0.56 1.48 -0.59 -1.61 -1.72 0.00 0.00 179.24 177.37 2q0h s GLU 55 N -2.38 1.62 1.83 3.56 2.02 -0.97 -4.98 118.70 119.39 2q0h s GLU 55 Ca -0.25 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 52.83 2q0h s GLU 55 Cb 0.04 -0.57 0.00 0.00 0.10 0.00 0.00 34.13 33.71 2q0h s GLU 55 CO 0.66 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.05 2q0h n GLY 56 N -0.65 -1.22 3.39 -1.39 0.00 -1.19 -2.23 105.19 101.90 2q0h n GLY 56 Ca -0.02 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 2q0h n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2q0h s GLU 57 N 0.00 1.19 -0.02 1.61 -6.30 -0.79 -4.92 118.70 109.47 2q0h s GLU 57 Ca 0.00 -0.65 0.05 0.00 -2.50 0.00 0.00 54.97 51.87 2q0h s GLU 57 Cb 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 34.13 34.64 2q0h s GLU 57 CO 0.00 -0.50 -0.16 0.42 0.02 0.00 0.00 175.26 175.04 2q0h s ILE 58 N -3.80 1.30 -0.22 -3.70 1.01 -1.26 -1.61 121.20 112.93 2q0h s ILE 58 Ca 0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 2q0h s ILE 58 Cb 0.00 -1.09 0.06 0.00 0.01 0.00 0.00 42.46 41.44 2q0h s ILE 58 CO -0.11 0.37 0.00 -0.63 0.00 0.00 0.00 174.94 174.58 2q0h s ILE 59 N -0.26 0.94 -0.45 2.92 1.01 0.85 -1.37 121.20 124.84 2q0h s ILE 59 Ca 0.03 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 2q0h s ILE 59 Cb -0.08 -1.37 0.05 0.00 0.01 0.00 0.00 42.46 41.07 2q0h s ILE 59 CO 0.00 -0.19 0.43 -0.63 0.00 0.00 0.00 174.94 174.55 2q0h s ILE 60 N 1.66 5.13 -1.40 2.92 -1.09 -0.55 -1.06 121.20 126.80 2q0h s ILE 60 Ca -0.02 -0.69 -0.06 0.00 -2.23 0.00 0.00 60.65 57.65 2q0h s ILE 60 Cb -0.18 -4.10 0.04 0.00 -1.58 0.00 0.00 42.46 36.64 2q0h s ILE 60 CO -0.08 -0.53 0.82 -0.67 -1.23 0.00 0.00 174.94 173.25 2q0h n ASP 61 N 5.49 -2.76 0.00 3.58 2.03 0.11 -2.64 116.55 122.36 2q0h n ASP 61 Ca -0.10 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.41 2q0h n ASP 61 Cb 0.46 -3.99 0.00 0.00 -0.72 0.00 0.00 41.12 36.87 2q0h n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2q0h n GLY 62 N -1.65 2.73 3.66 0.27 0.00 -1.26 -5.02 105.19 103.94 2q0h n GLY 62 Ca -0.15 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 2q0h n GLY 62 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2q0h n ILE 63 N 0.00 0.73 -3.00 -0.61 5.41 -1.08 -4.94 119.36 115.87 2q0h n ILE 63 Ca 0.00 -0.13 -0.41 0.00 1.00 0.00 0.00 62.75 63.21 2q0h n ILE 63 Cb 0.00 -2.27 -0.05 0.00 -0.71 0.00 0.00 39.64 36.61 2q0h n ILE 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2q0h s ASN 64 N 4.31 6.82 0.37 4.38 3.84 -1.26 -1.48 114.94 131.92 2q0h s ASN 64 Ca 0.89 1.00 0.05 0.00 0.21 0.00 0.00 52.86 55.01 2q0h s ASN 64 Cb -0.46 -2.40 0.73 0.00 -0.55 0.00 0.00 41.25 38.57 2q0h s ASN 64 CO 0.43 -0.35 2.00 -0.07 -2.79 0.00 0.00 177.10 176.32 2q0h h LEU 65 N 8.32 0.55 -2.66 3.21 3.38 -1.59 -3.05 115.31 123.47 2q0h h LEU 65 Ca -0.30 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2q0h h LEU 65 Cb 1.13 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2q0h h LEU 65 CO 0.81 0.45 0.00 0.29 0.09 0.00 0.00 178.44 180.08 2q0h n LYS 66 N -4.42 2.64 -2.98 1.13 5.02 -1.26 -4.95 118.16 113.33 2q0h n LYS 66 Ca 0.04 -2.36 -0.33 0.00 -2.02 0.00 0.00 58.31 53.64 2q0h n LYS 66 Cb 0.10 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 2q0h n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q0h s ALA 67 N -1.09 3.20 0.88 7.82 0.00 -1.16 -5.05 121.76 126.36 2q0h s ALA 67 Ca 0.38 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.40 2q0h s ALA 67 Cb 0.21 -2.93 0.12 0.00 0.00 0.00 0.00 23.12 20.52 2q0h s ALA 67 CO 0.27 0.23 1.18 0.15 0.00 0.00 0.00 175.76 177.59 2q0h s LYS 68 N -3.12 1.42 6.71 0.00 -0.14 -1.26 -4.43 119.74 118.92 2q0h s LYS 68 Ca 0.57 0.12 0.00 0.00 -1.36 0.00 0.00 55.97 55.31 2q0h s LYS 68 Cb -0.10 -1.89 0.00 0.00 -1.68 0.00 0.00 37.83 34.17 2q0h s LYS 68 CO 0.16 -1.98 0.00 -3.47 -0.76 0.00 0.00 175.35 169.31 2q0h n ASP 69 N -3.58 0.00 0.00 2.83 -0.08 -1.26 -4.91 116.55 109.55 2q0h n ASP 69 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2q0h n ASP 69 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 2q0h n ASP 69 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2q0h n THR 70 N 0.00 0.00 -0.67 5.18 -1.04 -1.26 -4.73 114.28 111.76 2q0h n THR 70 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2q0h n THR 70 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2q0h n THR 70 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2q0h n ASN 71 N 0.91 -0.89 0.01 8.00 4.05 -1.26 -4.95 115.26 121.13 2q0h n ASN 71 Ca 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 54.93 2q0h n ASN 71 Cb 0.00 -0.44 -0.04 0.00 1.23 0.00 0.00 39.78 40.53 2q0h n ASN 71 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2q0h h LEU 72 N 0.00 -0.38 -1.97 1.20 4.07 -1.95 -2.87 115.31 113.41 2q0h h LEU 72 Ca 0.00 0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.05 2q0h h LEU 72 Cb 0.00 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 2q0h h LEU 72 CO 0.00 -0.16 0.36 0.78 -1.08 0.00 0.00 178.44 178.34 2q0h h ASN 73 N -0.16 0.00 -0.05 -0.43 -0.26 -1.99 -0.55 115.58 112.14 2q0h h ASN 73 Ca 0.08 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.64 2q0h h ASN 73 Cb 0.27 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.54 2q0h h ASN 73 CO -0.20 0.00 -0.66 0.50 -1.06 0.00 0.00 177.43 176.01 2q0h h LYS 74 N 0.00 0.53 -0.12 0.81 1.63 -1.87 -3.07 116.57 114.48 2q0h h LYS 74 Ca 0.04 -0.51 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 2q0h h LYS 74 Cb 0.76 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.52 2q0h h LYS 74 CO -0.00 1.14 0.02 0.28 -3.45 0.00 0.00 179.45 177.44 2q0h h VAL 75 N 0.11 1.21 -0.93 2.00 2.07 -1.24 -3.06 116.25 116.41 2q0h h VAL 75 Ca -0.07 -0.67 0.28 0.00 0.82 0.00 0.00 66.70 67.06 2q0h h VAL 75 Cb 1.34 1.43 -0.16 0.00 -1.52 0.00 0.00 31.29 32.38 2q0h h VAL 75 CO 0.13 0.20 0.28 0.03 0.02 0.00 0.00 177.57 178.23 2q0h h ARG 76 N -0.02 0.15 -0.00 1.57 3.08 -1.35 -1.18 114.38 116.62 2q0h h ARG 76 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2q0h h ARG 76 Cb 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2q0h h ARG 76 CO 0.00 0.10 -0.07 0.39 -1.07 0.00 0.00 179.97 179.32 2q0h n GLU 77 N -5.26 0.84 -0.30 0.04 -0.58 -1.16 -3.35 120.64 110.87 2q0h n GLU 77 Ca 0.25 -0.27 0.07 0.00 -0.42 0.00 0.00 57.16 56.80 2q0h n GLU 77 Cb 0.82 -1.49 0.22 0.00 -0.57 0.00 0.00 31.44 30.42 2q0h n GLU 77 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2q0h n GLU 78 N -0.84 2.98 -3.92 3.49 0.28 -0.45 -4.47 120.64 117.70 2q0h n GLU 78 Ca 0.17 -2.37 -0.30 0.00 -0.16 0.00 0.00 57.16 54.49 2q0h n GLU 78 Cb 0.26 -1.48 -0.16 0.00 1.43 0.00 0.00 31.44 31.49 2q0h n GLU 78 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2q0h s VAL 79 N -1.38 1.44 0.35 3.84 1.01 -1.20 0.36 120.40 124.83 2q0h s VAL 79 Ca 0.34 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2q0h s VAL 79 Cb 0.20 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 2q0h s VAL 79 CO 0.19 -0.11 0.53 -0.83 0.00 0.00 0.00 175.10 174.88 2q0h s GLY 80 N 1.44 1.38 -0.11 4.51 0.00 0.76 -4.93 107.32 110.37 2q0h s GLY 80 Ca -0.05 -1.04 -0.09 0.00 0.00 0.00 0.00 44.72 43.54 2q0h s GLY 80 CO -0.06 -0.97 0.28 -0.29 0.00 0.00 0.00 173.10 172.06 2q0h s MET 81 N -4.30 0.32 -0.12 2.90 1.75 -1.26 -0.86 119.30 117.73 2q0h s MET 81 Ca 0.41 0.42 0.02 0.00 -1.25 0.00 0.00 55.69 55.29 2q0h s MET 81 Cb -0.10 0.12 0.01 0.00 2.84 0.00 0.00 34.83 37.71 2q0h s MET 81 CO 0.35 -0.06 -0.19 0.08 -0.65 0.00 0.00 175.02 174.55 2q0h s VAL 82 N 0.33 1.79 0.47 10.11 1.01 -0.20 -4.85 120.40 129.05 2q0h s VAL 82 Ca -0.01 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.21 2q0h s VAL 82 Cb -0.03 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.78 2q0h s VAL 82 CO -0.01 0.50 0.65 -0.36 0.00 0.00 0.00 175.10 175.88 2q0h s PHE 83 N 0.86 2.69 0.22 5.22 0.08 -1.26 -0.95 117.98 124.84 2q0h s PHE 83 Ca -0.08 -0.32 -0.08 0.00 0.12 0.00 0.00 56.93 56.58 2q0h s PHE 83 Cb -0.15 -2.48 0.17 0.00 -0.57 0.00 0.00 43.02 39.98 2q0h s PHE 83 CO -0.01 -0.63 1.79 0.37 -0.10 0.00 0.00 175.22 176.64 2q0h h GLN 84 N 0.42 1.20 -5.31 0.44 4.15 -1.47 -3.40 115.11 111.15 2q0h h GLN 84 Ca -0.40 -0.20 -0.45 0.00 0.77 0.00 0.00 58.65 58.37 2q0h h GLN 84 Cb 1.28 -0.20 -0.14 0.00 0.21 0.00 0.00 27.48 28.63 2q0h h GLN 84 CO 0.46 0.95 -0.66 1.03 -1.93 0.00 0.00 178.83 178.69 2q0h s ARG 85 N -5.61 1.48 2.03 1.69 1.81 -1.26 -4.65 118.95 114.43 2q0h s ARG 85 Ca -0.12 -1.76 0.00 0.00 -1.72 0.00 0.00 55.73 52.13 2q0h s ARG 85 Cb 0.16 -0.91 0.00 0.00 -0.45 0.00 0.00 34.95 33.74 2q0h s ARG 85 CO 0.84 -0.04 0.00 0.34 -0.68 0.00 0.00 175.30 175.76 2q0h n PHE 86 N -0.53 -0.55 0.00 -0.53 7.35 -1.26 -4.94 117.46 117.00 2q0h n PHE 86 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2q0h n PHE 86 Cb 0.64 0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.59 2q0h n PHE 86 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2q0h n ASN 87 N -3.36 0.00 -4.53 -2.13 4.05 -1.26 -4.68 115.26 103.35 2q0h n ASN 87 Ca 0.00 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.72 2q0h n ASN 87 Cb 0.00 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 40.90 2q0h n ASN 87 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2q0h s LEU 88 N 0.00 2.91 -0.40 1.20 1.43 -1.26 -4.90 118.68 117.65 2q0h s LEU 88 Ca 0.00 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.55 2q0h s LEU 88 Cb 0.00 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.54 2q0h s LEU 88 CO 0.00 0.25 0.81 -0.36 0.23 0.00 0.00 176.35 177.28 2q0h s PHE 89 N -1.01 3.05 0.29 0.29 0.08 -1.26 -4.92 117.98 114.50 2q0h s PHE 89 Ca 0.17 0.45 0.37 0.00 0.12 0.00 0.00 56.93 58.04 2q0h s PHE 89 Cb -0.11 -3.56 1.71 0.00 -0.57 0.00 0.00 43.02 40.49 2q0h s PHE 89 CO 0.08 -0.86 2.11 -1.00 -0.10 0.00 0.00 175.22 175.46 2q0h h PRO 90 N 8.69 0.00 -0.01 0.24 0.13 -1.99 -2.97 132.00 136.10 2q0h h PRO 90 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2q0h h PRO 90 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2q0h h PRO 90 CO 0.94 0.00 -0.02 -2.39 -0.23 0.00 0.00 178.00 176.31 2q0h n HIS 91 N -3.10 0.00 -4.25 1.56 1.44 -1.26 -4.56 115.22 105.05 2q0h n HIS 91 Ca -0.01 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.56 2q0h n HIS 91 Cb 0.23 -0.02 -0.10 0.00 0.12 0.00 0.00 29.99 30.22 2q0h n HIS 91 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2q0h s MET 92 N -2.05 1.07 0.93 -1.40 0.23 -1.12 -5.12 119.30 111.83 2q0h s MET 92 Ca 0.40 -1.47 -0.11 0.00 -1.03 0.00 0.00 55.69 53.48 2q0h s MET 92 Cb 0.21 -0.53 0.15 0.00 -1.53 0.00 0.00 34.83 33.14 2q0h s MET 92 CO 0.36 0.02 1.10 0.95 -2.03 0.00 0.00 175.02 175.43 2q0h s THR 93 N -3.41 2.38 0.14 3.16 -4.23 -1.26 -4.29 115.64 108.14 2q0h s THR 93 Ca 0.18 0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.63 2q0h s THR 93 Cb 0.04 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.57 2q0h s THR 93 CO 0.01 -0.16 1.71 0.58 -0.54 0.00 0.00 174.62 176.22 2q0h h VAL 94 N -1.83 0.79 -0.10 2.29 2.07 -0.92 -0.25 116.25 118.31 2q0h h VAL 94 Ca -0.48 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.05 2q0h h VAL 94 Cb 1.28 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 2q0h h VAL 94 CO 0.47 0.01 -0.12 0.25 0.02 0.00 0.00 177.57 178.20 2q0h h LEU 95 N 0.08 -0.37 -1.81 2.57 5.85 -0.84 -1.83 115.31 118.96 2q0h h LEU 95 Ca 0.14 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2q0h h LEU 95 Cb 0.18 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 2q0h h LEU 95 CO -0.24 -0.16 -0.15 0.78 -0.34 0.00 0.00 178.44 178.33 2q0h h ASN 96 N -0.16 0.00 -0.60 1.25 -0.26 -1.72 -2.07 115.58 112.03 2q0h h ASN 96 Ca 0.08 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.77 2q0h h ASN 96 Cb 0.27 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.50 2q0h h ASN 96 CO -0.19 0.15 0.18 0.78 -1.06 0.00 0.00 177.43 177.29 2q0h h ASN 97 N 0.00 0.88 0.61 5.81 2.35 -0.22 -2.70 115.58 122.31 2q0h h ASN 97 Ca -0.00 -0.21 -0.16 0.00 -0.55 0.00 0.00 56.30 55.37 2q0h h ASN 97 Cb 0.33 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2q0h h ASN 97 CO 0.02 0.86 -0.74 0.40 -1.65 0.00 0.00 177.43 176.32 2q0h h ILE 98 N 0.85 1.48 0.00 2.81 2.04 -0.91 -3.34 117.51 120.45 2q0h h ILE 98 Ca 0.19 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.64 2q0h h ILE 98 Cb 0.30 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2q0h h ILE 98 CO -0.00 0.70 -0.91 0.35 0.00 0.00 0.00 178.15 178.28 2q0h n THR 99 N -3.72 0.14 -0.01 -0.27 -2.24 -0.93 -4.50 114.28 102.76 2q0h n THR 99 Ca -0.02 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 2q0h n THR 99 Cb 0.71 0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 69.12 2q0h n THR 99 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2q0h h LEU 100 N 0.00 -1.59 -0.53 3.22 5.85 -1.60 -1.34 115.31 119.32 2q0h h LEU 100 Ca 0.00 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 2q0h h LEU 100 Cb 0.67 0.62 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 2q0h h LEU 100 CO 0.00 -0.44 0.09 0.00 -0.34 0.00 0.00 178.44 177.75 2q0h h ALA 101 N -0.40 0.70 0.00 1.25 0.00 -1.83 -1.61 119.26 117.38 2q0h h ALA 101 Ca 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2q0h h ALA 101 Cb 0.62 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2q0h h ALA 101 CO -0.40 0.43 -0.15 -1.35 0.00 0.00 0.00 179.25 177.78 2q0h h PRO 102 N 0.75 0.00 0.00 0.00 0.11 -1.74 0.12 132.00 131.25 2q0h h PRO 102 Ca 0.16 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 2q0h h PRO 102 Cb 0.40 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2q0h h PRO 102 CO 0.01 0.15 -0.26 0.52 -0.21 0.00 0.00 178.00 178.22 2q0h h MET 103 N 0.00 0.00 -0.36 1.05 2.86 -1.13 -2.10 114.93 115.24 2q0h h MET 103 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2q0h h MET 103 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2q0h h MET 103 CO 0.02 0.92 -0.01 -0.22 1.06 0.00 0.00 176.91 178.68 2q0h h LYS 104 N -1.00 0.64 0.05 1.72 3.64 -1.27 0.66 116.57 121.01 2q0h h LYS 104 Ca -0.07 -0.21 -0.30 0.00 -1.27 0.00 0.00 60.65 58.80 2q0h h LYS 104 Cb 0.99 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 2q0h h LYS 104 CO -0.04 0.76 -1.65 0.28 -2.27 0.00 0.00 179.45 176.53 2q0h h VAL 105 N 0.45 0.96 -0.26 2.00 2.07 -0.94 -3.37 116.25 117.16 2q0h h VAL 105 Ca 0.10 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.89 2q0h h VAL 105 Cb 0.48 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2q0h h VAL 105 CO 0.02 0.69 0.00 0.54 0.02 0.00 0.00 177.57 178.84 2q0h n ARG 106 N -3.25 2.01 -4.04 1.57 1.74 -0.80 -4.98 116.66 108.91 2q0h n ARG 106 Ca -0.18 -1.85 -0.33 0.00 -0.77 0.00 0.00 57.85 54.72 2q0h n ARG 106 Cb 1.04 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 31.13 2q0h n ARG 106 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2q0h n LYS 107 N 0.86 -3.48 -2.78 5.56 5.02 0.22 -4.92 118.16 118.64 2q0h n LYS 107 Ca 0.12 0.41 -0.40 0.00 -2.02 0.00 0.00 58.31 56.42 2q0h n LYS 107 Cb 0.44 -5.16 -0.05 0.00 -0.02 0.00 0.00 35.03 30.23 2q0h n LYS 107 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2q0h s TRP 108 N -3.21 3.92 0.54 2.13 0.52 -1.16 -5.00 118.94 116.67 2q0h s TRP 108 Ca 0.68 1.84 -0.21 0.00 0.02 0.00 0.00 56.10 58.43 2q0h s TRP 108 Cb -0.37 -2.97 -0.05 0.00 -1.15 0.00 0.00 33.47 28.93 2q0h s TRP 108 CO 0.84 0.38 1.29 -2.14 0.02 0.00 0.00 176.95 177.34 2q0h s PRO 109 N -0.78 3.24 0.29 4.98 0.02 -1.26 -4.56 135.00 136.93 2q0h s PRO 109 Ca 0.42 2.06 0.03 0.00 0.02 0.00 0.00 61.00 63.53 2q0h s PRO 109 Cb -0.25 -2.23 0.69 0.00 0.02 0.00 0.00 34.50 32.73 2q0h s PRO 109 CO 0.30 -1.05 1.72 -0.09 -0.33 0.00 0.00 177.00 177.55 2q0h h ARG 110 N 1.49 0.49 -0.71 5.54 2.43 -1.99 -1.15 114.38 120.47 2q0h h ARG 110 Ca -0.50 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2q0h h ARG 110 Cb 1.29 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 2q0h h ARG 110 CO 0.57 0.32 0.46 1.49 -1.51 0.00 0.00 179.97 181.30 2q0h h GLU 111 N 0.50 0.88 0.07 0.20 4.81 -1.99 0.42 114.58 119.48 2q0h h GLU 111 Ca 0.54 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.71 2q0h h GLU 111 Cb 0.95 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2q0h h GLU 111 CO -0.47 0.58 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.14 2q0h h LYS 112 N 0.91 -0.09 -0.64 1.92 3.64 -1.60 -1.55 116.57 119.15 2q0h h LYS 112 Ca 0.28 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.76 2q0h h LYS 112 Cb -0.04 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 2q0h h LYS 112 CO -0.09 0.28 0.26 0.00 -2.27 0.00 0.00 179.45 177.63 2q0h h ALA 113 N 0.40 0.85 -0.56 5.00 0.00 -1.12 -1.88 119.26 121.95 2q0h h ALA 113 Ca -0.01 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2q0h h ALA 113 Cb 0.42 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2q0h h ALA 113 CO 0.02 -0.17 -0.09 0.93 0.00 0.00 0.00 179.25 179.94 2q0h h GLU 114 N 0.44 1.04 -0.87 0.00 5.08 -0.86 0.06 114.58 119.48 2q0h h GLU 114 Ca 0.33 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2q0h h GLU 114 Cb 0.40 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2q0h h GLU 114 CO -0.31 1.07 0.55 0.00 -1.00 0.00 0.00 179.01 179.32 2q0h h ALA 115 N 0.95 1.33 -0.02 3.43 0.00 -0.74 0.26 119.26 124.48 2q0h h ALA 115 Ca 0.15 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2q0h h ALA 115 Cb 0.66 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2q0h h ALA 115 CO 0.05 0.60 -0.84 0.87 0.00 0.00 0.00 179.25 179.92 2q0h h LYS 116 N 1.19 0.31 -0.25 0.00 1.57 -1.12 -2.51 116.57 115.76 2q0h h LYS 116 Ca 0.32 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2q0h h LYS 116 Cb -0.09 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2q0h h LYS 116 CO -0.06 0.99 0.05 0.00 -0.57 0.00 0.00 179.45 179.86 2q0h h ALA 117 N 0.91 0.33 -0.87 3.86 0.00 -0.12 -1.38 119.26 121.99 2q0h h ALA 117 Ca -0.05 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2q0h h ALA 117 Cb 1.45 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 2q0h h ALA 117 CO 0.14 -0.01 0.53 0.52 0.00 0.00 0.00 179.25 180.43 2q0h h MET 118 N 0.23 0.90 0.54 0.00 2.86 -0.50 0.24 114.93 119.19 2q0h h MET 118 Ca 0.08 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2q0h h MET 118 Cb 0.30 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 31.76 2q0h h MET 118 CO 0.00 0.60 -0.26 1.49 1.06 0.00 0.00 176.91 179.80 2q0h h GLU 119 N 0.93 -0.70 -0.36 1.72 4.81 -1.13 0.20 114.58 120.05 2q0h h GLU 119 Ca 0.40 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.72 2q0h h GLU 119 Cb 0.27 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2q0h h GLU 119 CO -0.21 -0.46 0.12 -0.07 -0.73 0.00 0.00 179.01 177.66 2q0h h LEU 120 N -0.73 0.13 -1.34 1.64 3.38 -0.72 0.37 115.31 118.05 2q0h h LEU 120 Ca -0.07 0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2q0h h LEU 120 Cb 0.56 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2q0h h LEU 120 CO 0.12 0.11 0.48 -0.07 0.09 0.00 0.00 178.44 179.18 2q0h h LEU 121 N 0.27 0.73 -0.35 1.67 3.38 -0.40 -1.58 115.31 119.03 2q0h h LEU 121 Ca 0.16 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2q0h h LEU 121 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2q0h h LEU 121 CO -0.17 0.48 -0.12 -0.78 0.09 0.00 0.00 178.44 177.94 2q0h h ASP 122 N 0.83 0.72 0.33 -0.43 3.58 0.15 0.23 116.42 121.82 2q0h h ASP 122 Ca 0.31 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2q0h h ASP 122 Cb 0.16 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2q0h h ASP 122 CO -0.10 0.94 0.00 0.29 -2.88 0.00 0.00 179.24 177.49 2q0h n LYS 123 N -4.36 0.09 -0.22 0.28 5.02 0.02 -0.99 118.16 117.99 2q0h n LYS 123 Ca -0.02 0.45 0.06 0.00 -2.02 0.00 0.00 58.31 56.78 2q0h n LYS 123 Cb 0.37 -1.71 0.18 0.00 -0.02 0.00 0.00 35.03 33.84 2q0h n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2q0h n VAL 124 N -1.89 1.09 -2.03 -0.18 0.24 -0.96 -4.97 118.33 109.63 2q0h n VAL 124 Ca 0.01 -1.05 -0.08 0.00 -2.04 0.00 0.00 64.34 61.17 2q0h n VAL 124 Cb 0.11 0.45 -0.01 0.00 -1.47 0.00 0.00 33.84 32.93 2q0h n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2q0h n GLY 125 N 0.58 0.16 0.99 7.63 0.00 -0.16 -4.95 105.19 109.44 2q0h n GLY 125 Ca 0.14 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.64 2q0h n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q0h n LEU 126 N -1.15 1.19 0.01 0.99 4.77 0.76 -4.85 117.00 118.73 2q0h n LEU 126 Ca -0.10 -2.21 0.20 0.00 -0.03 0.00 0.00 56.01 53.87 2q0h n LEU 126 Cb 0.53 -0.13 0.69 0.00 -2.33 0.00 0.00 43.42 42.18 2q0h n LEU 126 CO 0.12 0.62 1.18 0.50 -1.33 0.00 0.00 177.39 178.48 2q0h h LYS 127 N 0.69 0.00 0.00 3.23 3.64 -1.76 0.66 116.57 123.03 2q0h h LYS 127 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2q0h h LYS 127 Cb 1.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2q0h h LYS 127 CO 0.05 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 176.83 2q0h n ASP 128 N -4.38 0.00 -0.96 4.20 5.75 -1.26 -2.76 116.55 117.14 2q0h n ASP 128 Ca 0.09 -0.47 0.12 0.00 -0.01 0.00 0.00 54.79 54.53 2q0h n ASP 128 Cb 0.58 -0.14 0.20 0.00 -1.03 0.00 0.00 41.12 40.73 2q0h n ASP 128 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2q0h n LYS 129 N -1.14 2.30 -0.30 0.11 4.76 0.22 -4.65 118.16 119.46 2q0h n LYS 129 Ca 0.16 -1.92 0.02 0.00 -2.87 0.00 0.00 58.31 53.70 2q0h n LYS 129 Cb 0.15 -1.48 0.09 0.00 -1.84 0.00 0.00 35.03 31.95 2q0h n LYS 129 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2q0h h ALA 130 N 4.57 0.46 -0.52 7.82 0.00 -1.62 -1.42 119.26 128.55 2q0h h ALA 130 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2q0h h ALA 130 Cb 0.92 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2q0h h ALA 130 CO 0.00 -0.45 0.00 0.72 0.00 0.00 0.00 179.25 179.52 2q0h n HIS 131 N -5.53 0.69 -2.43 0.00 8.25 -1.26 -0.20 115.22 114.73 2q0h n HIS 131 Ca 0.12 -0.35 -0.28 0.00 -0.26 0.00 0.00 57.72 56.95 2q0h n HIS 131 Cb 0.42 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.54 2q0h n HIS 131 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2q0h s ALA 132 N -1.31 3.32 0.27 -1.41 0.00 -0.53 -4.79 121.76 117.31 2q0h s ALA 132 Ca 0.41 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 2q0h s ALA 132 Cb 0.22 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 2q0h s ALA 132 CO 0.30 -0.49 0.49 0.71 0.00 0.00 0.00 175.76 176.77 2q0h s TYR 133 N -2.87 3.49 0.54 0.00 2.02 -1.26 -0.87 117.35 118.39 2q0h s TYR 133 Ca 0.50 0.43 0.27 0.00 -0.37 0.00 0.00 57.07 57.90 2q0h s TYR 133 Cb -0.10 -1.94 1.44 0.00 -0.40 0.00 0.00 41.96 40.96 2q0h s TYR 133 CO 0.47 0.24 1.96 -1.35 -1.57 0.00 0.00 175.55 175.30 2q0h h PRO 134 N 1.49 0.00 0.00 -1.71 0.11 -1.80 -2.90 132.00 127.19 2q0h h PRO 134 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2q0h h PRO 134 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2q0h h PRO 134 CO 0.65 0.00 -0.03 0.38 -0.21 0.00 0.00 178.00 178.79 2q0h h ASP 135 N 0.00 0.00 1.32 -2.05 3.04 -1.94 -2.29 116.42 114.50 2q0h h ASP 135 Ca 0.29 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.08 2q0h h ASP 135 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 2q0h h ASP 135 CO -0.00 0.03 -0.03 -1.54 -2.04 0.00 0.00 179.24 175.66 2q0h n SER 136 N -4.44 0.60 -4.84 4.15 3.41 -1.09 -4.87 113.62 106.53 2q0h n SER 136 Ca -0.03 0.53 -0.32 0.00 -0.26 0.00 0.00 58.87 58.79 2q0h n SER 136 Cb 0.12 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.35 2q0h n SER 136 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2q0h s LEU 137 N -4.11 3.77 0.73 1.04 1.43 -0.86 -5.08 118.68 115.61 2q0h s LEU 137 Ca 0.11 1.50 -0.06 0.00 -1.03 0.00 0.00 54.13 54.66 2q0h s LEU 137 Cb 0.14 -4.40 0.10 0.00 0.03 0.00 0.00 46.19 42.06 2q0h s LEU 137 CO 0.59 -0.47 1.03 -0.94 0.23 0.00 0.00 176.35 176.79 2q0h s SER 138 N -2.80 4.45 0.18 2.29 1.04 -1.26 -4.82 113.70 112.77 2q0h s SER 138 Ca 0.58 0.14 -0.13 0.00 0.48 0.00 0.00 55.95 57.01 2q0h s SER 138 Cb -0.10 -0.64 0.08 0.00 0.10 0.00 0.00 66.02 65.47 2q0h s SER 138 CO 0.26 -1.81 1.84 1.23 0.98 0.00 0.00 173.24 175.74 2q0h h GLY 139 N -0.68 0.79 1.50 7.32 0.00 -1.98 -0.36 103.07 109.67 2q0h h GLY 139 Ca -0.42 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.57 2q0h h GLY 139 CO 0.50 0.28 0.05 -1.33 0.00 0.00 0.00 176.54 176.04 2q0h h GLY 140 N 0.76 0.67 0.75 4.60 0.00 -1.94 -1.97 103.07 105.94 2q0h h GLY 140 Ca 0.21 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 2q0h h GLY 140 CO -0.05 0.36 -0.58 1.46 0.00 0.00 0.00 176.54 177.73 2q0h h GLN 141 N 0.60 0.39 -0.47 4.80 4.20 -1.85 -2.86 115.11 119.91 2q0h h GLN 141 Ca 0.13 -0.42 0.07 0.00 0.06 0.00 0.00 58.65 58.49 2q0h h GLN 141 Cb 0.30 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 2q0h h GLN 141 CO 0.00 1.09 0.14 0.00 -0.67 0.00 0.00 178.83 179.40 2q0h h ALA 142 N 0.31 0.56 0.00 3.87 0.00 -0.99 0.11 119.26 123.11 2q0h h ALA 142 Ca -0.07 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2q0h h ALA 142 Cb 1.30 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2q0h h ALA 142 CO 0.11 -0.26 -0.35 0.37 0.00 0.00 0.00 179.25 179.12 2q0h h GLN 143 N 0.29 0.00 -0.20 0.00 5.75 -1.44 -0.00 115.11 119.51 2q0h h GLN 143 Ca 0.23 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.55 2q0h h GLN 143 Cb 0.27 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 2q0h h GLN 143 CO -0.26 0.35 -0.60 0.00 -2.65 0.00 0.00 178.83 175.66 2q0h h ARG 144 N 0.00 0.68 -0.65 1.69 3.08 -0.89 -1.98 114.38 116.31 2q0h h ARG 144 Ca -0.00 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.53 2q0h h ARG 144 Cb 0.65 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 2q0h h ARG 144 CO 0.05 1.08 0.19 0.28 -1.07 0.00 0.00 179.97 180.50 2q0h h VAL 145 N 0.51 1.25 -0.38 2.04 2.07 -0.26 -0.48 116.25 120.99 2q0h h VAL 145 Ca -0.00 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.65 2q0h h VAL 145 Cb 1.19 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2q0h h VAL 145 CO 0.12 0.34 0.26 0.00 0.02 0.00 0.00 177.57 178.30 2q0h h ALA 146 N 1.07 1.80 -0.09 1.67 0.00 -0.83 0.18 119.26 123.07 2q0h h ALA 146 Ca 0.21 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 2q0h h ALA 146 Cb 0.32 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2q0h h ALA 146 CO -0.00 0.16 -0.85 0.82 0.00 0.00 0.00 179.25 179.38 2q0h h ILE 147 N 0.45 1.29 -0.75 0.00 2.04 -0.66 -2.50 117.51 117.39 2q0h h ILE 147 Ca 0.15 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.95 2q0h h ILE 147 Cb 0.05 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 2q0h h ILE 147 CO -0.03 0.64 0.48 0.00 0.00 0.00 0.00 178.15 179.24 2q0h h ALA 148 N 0.48 1.43 -0.27 1.87 0.00 0.01 0.49 119.26 123.28 2q0h h ALA 148 Ca -0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2q0h h ALA 148 Cb 1.49 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2q0h h ALA 148 CO 0.17 0.51 -0.08 -0.09 0.00 0.00 0.00 179.25 179.76 2q0h h ARG 149 N 1.02 0.54 -0.54 0.00 9.65 -0.61 -0.72 114.38 123.71 2q0h h ARG 149 Ca 0.27 -0.21 -0.09 0.00 -1.10 0.00 0.00 59.98 58.85 2q0h h ARG 149 Cb -0.09 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 2q0h h ARG 149 CO -0.06 0.76 -0.03 0.00 2.80 0.00 0.00 179.97 183.44 2q0h h ALA 150 N 0.77 0.93 0.00 2.80 0.00 -1.00 -2.72 119.26 120.04 2q0h h ALA 150 Ca 0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2q0h h ALA 150 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2q0h h ALA 150 CO 0.03 0.64 -0.31 -0.07 0.00 0.00 0.00 179.25 179.54 2q0h h LEU 151 N 0.87 0.00 -2.21 0.00 3.38 -0.78 -3.10 115.31 113.47 2q0h h LEU 151 Ca 0.16 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2q0h h LEU 151 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2q0h h LEU 151 CO 0.03 0.31 0.21 0.00 0.09 0.00 0.00 178.44 179.08 2q0h h ALA 152 N 1.69 1.84 -0.00 1.53 0.00 -0.79 0.23 119.26 123.76 2q0h h ALA 152 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2q0h h ALA 152 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2q0h h ALA 152 CO 0.04 -0.31 -0.01 -1.33 0.00 0.00 0.00 179.25 177.64 2q0h n MET 153 N -3.85 1.02 -3.57 0.00 2.81 -1.17 -4.85 117.12 107.52 2q0h n MET 153 Ca 0.02 -0.17 -0.26 0.00 -1.81 0.00 0.00 57.70 55.48 2q0h n MET 153 Cb 0.33 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.40 2q0h n MET 153 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2q0h n GLU 154 N -0.84 -1.83 -1.57 0.03 1.02 0.82 -4.89 120.64 113.38 2q0h n GLU 154 Ca 0.21 0.58 -0.30 0.00 -0.02 0.00 0.00 57.16 57.64 2q0h n GLU 154 Cb 0.18 -4.69 0.10 0.00 -0.02 0.00 0.00 31.44 27.01 2q0h n GLU 154 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2q0h s PRO 155 N -5.55 1.84 -0.01 3.49 0.04 -1.26 -4.90 135.00 128.65 2q0h s PRO 155 Ca 0.43 0.52 0.17 0.00 0.04 0.00 0.00 61.00 62.16 2q0h s PRO 155 Cb -0.12 -1.90 -0.23 0.00 0.04 0.00 0.00 34.50 32.29 2q0h s PRO 155 CO 0.82 -1.76 0.51 1.63 0.04 0.00 0.00 177.00 178.24 2q0h n LYS 156 N -3.51 0.96 -4.43 4.56 5.02 0.16 -4.92 118.16 115.99 2q0h n LYS 156 Ca 0.07 -0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.05 2q0h n LYS 156 Cb 0.57 -1.35 -0.16 0.00 -0.02 0.00 0.00 35.03 34.07 2q0h n LYS 156 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2q0h s ILE 157 N -2.91 0.89 -0.15 -0.18 1.01 -0.72 -3.40 121.20 115.73 2q0h s ILE 157 Ca -0.01 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2q0h s ILE 157 Cb 0.11 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.77 2q0h s ILE 157 CO 0.69 0.29 -0.18 -0.04 0.00 0.00 0.00 174.94 175.70 2q0h s MET 158 N 0.55 3.10 -0.10 2.79 -1.94 0.25 -0.17 119.30 123.78 2q0h s MET 158 Ca -0.10 -0.80 -0.02 0.00 -1.71 0.00 0.00 55.69 53.06 2q0h s MET 158 Cb -0.13 -2.55 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 2q0h s MET 158 CO 0.02 -0.04 -0.02 -0.51 -0.01 0.00 0.00 175.02 174.46 2q0h s LEU 159 N 0.90 3.44 -0.12 -0.03 1.43 -0.04 -1.80 118.68 122.46 2q0h s LEU 159 Ca -0.04 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 2q0h s LEU 159 Cb -0.15 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.31 2q0h s LEU 159 CO -0.03 0.33 -0.04 -0.36 0.23 0.00 0.00 176.35 176.49 2q0h s PHE 160 N -0.59 1.25 -0.61 0.29 0.08 -0.29 -1.03 117.98 117.08 2q0h s PHE 160 Ca 0.09 -0.67 -0.10 0.00 0.12 0.00 0.00 56.93 56.38 2q0h s PHE 160 Cb -0.12 -1.11 0.16 0.00 -0.57 0.00 0.00 43.02 41.38 2q0h s PHE 160 CO 0.02 -0.49 0.50 0.34 -0.10 0.00 0.00 175.22 175.49 2q0h s ASP 161 N 1.78 5.95 -1.29 1.36 -1.08 -0.12 -0.05 116.67 123.22 2q0h s ASP 161 Ca 0.03 -2.34 -0.17 0.00 -0.52 0.00 0.00 52.55 49.55 2q0h s ASP 161 Cb -0.14 -2.05 0.01 0.00 -1.46 0.00 0.00 42.92 39.28 2q0h s ASP 161 CO -0.07 -0.60 0.54 -0.62 0.52 0.00 0.00 175.17 174.93 2q0h n GLU 162 N 4.36 -1.31 0.28 4.34 1.02 0.23 -1.65 120.64 127.90 2q0h n GLU 162 Ca 0.01 0.26 0.18 0.00 -0.02 0.00 0.00 57.16 57.59 2q0h n GLU 162 Cb 0.42 -3.59 0.94 0.00 -0.02 0.00 0.00 31.44 29.19 2q0h n GLU 162 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2q0h h PRO 163 N -2.12 0.00 -0.00 3.49 0.13 -1.78 -2.93 132.00 128.79 2q0h h PRO 163 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2q0h h PRO 163 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2q0h h PRO 163 CO 0.56 0.00 -0.00 0.25 -0.23 0.00 0.00 178.00 178.58 2q0h n THR 164 N -3.36 0.00 0.02 1.56 -2.24 -1.26 -4.75 114.28 104.24 2q0h n THR 164 Ca -0.01 -0.50 0.05 0.00 -2.27 0.00 0.00 64.05 61.32 2q0h n THR 164 Cb 0.26 1.01 0.45 0.00 -2.10 0.00 0.00 70.33 69.95 2q0h n THR 164 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2q0h h SER 165 N 0.09 0.42 -0.11 3.42 4.64 -1.85 -1.43 113.55 118.72 2q0h h SER 165 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2q0h h SER 165 Cb 0.02 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2q0h h SER 165 CO 0.00 0.30 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 2q0h n ALA 166 N -2.48 2.55 -2.48 5.18 0.00 -1.26 -4.92 120.51 117.10 2q0h n ALA 166 Ca 0.03 -0.41 -0.28 0.00 0.00 0.00 0.00 53.44 52.78 2q0h n ALA 166 Cb 0.08 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 2q0h n ALA 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2q0h s LEU 167 N -1.59 3.99 0.35 0.00 1.43 -0.54 -5.06 118.68 117.26 2q0h s LEU 167 Ca 0.31 0.75 -0.27 0.00 -1.03 0.00 0.00 54.13 53.89 2q0h s LEU 167 Cb 0.16 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 2q0h s LEU 167 CO 0.25 -0.26 1.18 -1.81 0.23 0.00 0.00 176.35 175.94 2q0h s ASP 168 N -3.34 6.79 0.35 2.29 1.01 -1.26 -4.86 116.67 117.65 2q0h s ASP 168 Ca 0.45 2.41 0.17 0.00 0.71 0.00 0.00 52.55 56.28 2q0h s ASP 168 Cb -0.10 -2.63 1.19 0.00 1.01 0.00 0.00 42.92 42.39 2q0h s ASP 168 CO 0.32 -0.50 1.62 -0.65 0.21 0.00 0.00 175.17 176.18 2q0h h PRO 169 N 3.13 0.17 -0.08 8.23 0.11 -1.97 0.29 132.00 141.88 2q0h h PRO 169 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2q0h h PRO 169 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2q0h h PRO 169 CO 0.64 0.11 0.01 1.05 -0.21 0.00 0.00 178.00 179.61 2q0h h GLU 170 N 0.17 0.11 0.00 1.05 4.11 -2.02 -2.70 114.58 115.30 2q0h h GLU 170 Ca 0.78 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 60.20 2q0h h GLU 170 Cb 1.91 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2q0h h GLU 170 CO -0.69 0.11 -0.50 0.52 0.07 0.00 0.00 179.01 178.53 2q0h h MET 171 N 0.11 0.00 0.10 1.06 2.86 -0.77 -3.39 114.93 114.91 2q0h h MET 171 Ca 0.03 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2q0h h MET 171 Cb 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2q0h h MET 171 CO -0.00 0.00 -0.18 0.28 1.06 0.00 0.00 176.91 178.06 2q0h h VAL 172 N 0.00 0.58 -0.41 -2.22 2.07 -1.35 -3.25 116.25 111.67 2q0h h VAL 172 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2q0h h VAL 172 Cb 0.87 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 2q0h h VAL 172 CO 0.00 0.00 -0.30 1.23 0.02 0.00 0.00 177.57 178.52 2q0h h GLY 173 N -0.35 -0.17 0.86 2.17 0.00 -1.75 -0.18 103.07 103.64 2q0h h GLY 173 Ca 0.03 0.38 0.12 0.00 0.00 0.00 0.00 47.33 47.86 2q0h h GLY 173 CO -0.10 -0.21 0.45 1.05 0.00 0.00 0.00 176.54 177.73 2q0h h GLU 174 N -0.22 0.39 -0.01 4.80 4.11 -1.83 0.49 114.58 122.31 2q0h h GLU 174 Ca 0.18 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.47 2q0h h GLU 174 Cb 0.52 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.69 2q0h h GLU 174 CO -0.54 0.26 -0.48 0.28 0.07 0.00 0.00 179.01 178.61 2q0h h VAL 175 N 0.40 1.47 -0.75 -1.06 2.07 -1.26 -3.24 116.25 113.87 2q0h h VAL 175 Ca 0.32 -2.02 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 2q0h h VAL 175 Cb 0.71 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 33.08 2q0h h VAL 175 CO -0.09 0.58 0.44 -0.07 0.02 0.00 0.00 177.57 178.44 2q0h h LEU 176 N -0.23 0.90 -0.29 2.57 3.38 -0.25 -2.81 115.31 118.58 2q0h h LEU 176 Ca -0.06 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2q0h h LEU 176 Cb 1.20 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 2q0h h LEU 176 CO 0.09 0.70 -0.02 0.28 0.09 0.00 0.00 178.44 179.59 2q0h h SER 177 N 1.03 -0.16 -0.87 -0.43 0.02 -0.99 0.26 113.55 112.41 2q0h h SER 177 Ca 0.27 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.36 2q0h h SER 177 Cb -0.02 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 2q0h h SER 177 CO -0.05 -0.05 0.54 0.58 -1.14 0.00 0.00 176.83 176.71 2q0h h VAL 178 N 0.06 1.03 -0.55 2.27 2.07 -1.53 -0.87 116.25 118.72 2q0h h VAL 178 Ca 0.14 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2q0h h VAL 178 Cb 0.19 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 2q0h h VAL 178 CO -0.25 0.18 0.07 0.24 0.02 0.00 0.00 177.57 177.82 2q0h h MET 179 N 0.97 0.89 -0.50 1.57 2.07 -1.05 -0.52 114.93 118.37 2q0h h MET 179 Ca 0.39 -0.22 -0.12 0.00 -2.07 0.00 0.00 59.70 57.67 2q0h h MET 179 Cb 0.20 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 2q0h h MET 179 CO -0.18 0.85 -0.17 0.87 1.07 0.00 0.00 176.91 179.34 2q0h h LYS 180 N 0.84 0.98 -0.63 1.72 1.57 -0.14 0.13 116.57 121.04 2q0h h LYS 180 Ca 0.17 -0.39 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 2q0h h LYS 180 Cb 0.41 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2q0h h LYS 180 CO 0.01 1.07 0.18 0.37 -0.57 0.00 0.00 179.45 180.51 2q0h h GLN 181 N 0.86 1.00 -0.57 3.15 4.15 -0.89 1.05 115.11 123.86 2q0h h GLN 181 Ca 0.12 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.28 2q0h h GLN 181 Cb 0.74 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 2q0h h GLN 181 CO 0.06 0.89 0.24 1.25 -1.93 0.00 0.00 178.83 179.34 2q0h h LEU 182 N 0.92 0.75 -0.09 -2.39 5.85 -0.77 -0.23 115.31 119.35 2q0h h LEU 182 Ca 0.20 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2q0h h LEU 182 Cb 0.32 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2q0h h LEU 182 CO -0.00 0.67 -0.23 0.00 -0.34 0.00 0.00 178.44 178.53 2q0h h ALA 183 N 1.45 0.15 -0.06 1.25 0.00 0.43 -2.94 119.26 119.54 2q0h h ALA 183 Ca 0.20 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2q0h h ALA 183 Cb 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2q0h h ALA 183 CO -0.02 0.13 0.06 -0.91 0.00 0.00 0.00 179.25 178.50 2q0h h ASN 184 N -0.13 0.00 -0.26 0.00 2.35 0.15 -1.54 115.58 116.15 2q0h h ASN 184 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2q0h h ASN 184 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 2q0h h ASN 184 CO 0.05 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.21 2q0h n GLU 185 N -4.13 2.10 -1.00 0.81 1.02 -0.14 -4.92 120.64 114.38 2q0h n GLU 185 Ca -0.01 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.97 2q0h n GLU 185 Cb 0.16 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2q0h n GLU 185 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2q0h n GLY 186 N 0.62 0.63 3.73 0.62 0.00 -0.58 -5.04 105.19 105.18 2q0h n GLY 186 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2q0h n GLY 186 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2q0h s MET 187 N -0.00 2.35 -0.30 1.61 0.00 -1.12 -3.56 119.30 118.28 2q0h s MET 187 Ca 0.00 1.77 -0.18 0.00 0.00 0.00 0.00 55.69 57.28 2q0h s MET 187 Cb 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 34.83 32.96 2q0h s MET 187 CO 0.00 -1.68 0.52 0.99 0.00 0.00 0.00 175.02 174.86 2q0h s THR 188 N -1.90 5.03 0.02 10.11 2.01 -1.22 -4.19 115.64 125.51 2q0h s THR 188 Ca 0.75 0.68 0.06 0.00 0.31 0.00 0.00 61.69 63.49 2q0h s THR 188 Cb -0.29 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 2q0h s THR 188 CO 0.43 -0.05 -0.18 -0.04 -0.69 0.00 0.00 174.62 174.08 2q0h s MET 189 N 2.38 1.32 -0.16 4.92 1.00 -0.62 -0.59 119.30 127.55 2q0h s MET 189 Ca 0.21 -0.80 0.00 0.00 0.00 0.00 0.00 55.69 55.10 2q0h s MET 189 Cb -0.15 -1.36 0.03 0.00 0.00 0.00 0.00 34.83 33.34 2q0h s MET 189 CO 0.11 0.35 -0.14 0.08 0.00 0.00 0.00 175.02 175.42 2q0h s VAL 190 N -0.68 1.64 -0.17 -6.03 1.01 -0.75 -0.28 120.40 115.14 2q0h s VAL 190 Ca 0.06 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 2q0h s VAL 190 Cb -0.08 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.78 2q0h s VAL 190 CO 0.01 0.42 -0.06 -0.69 0.00 0.00 0.00 175.10 174.78 2q0h s VAL 191 N 1.45 1.23 -0.47 2.92 1.01 0.17 -1.13 120.40 125.58 2q0h s VAL 191 Ca 0.04 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 2q0h s VAL 191 Cb -0.13 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.88 2q0h s VAL 191 CO -0.11 0.13 0.87 -0.69 0.00 0.00 0.00 175.10 175.30 2q0h s VAL 192 N 1.58 4.54 0.05 2.92 1.01 0.93 -0.50 120.40 130.93 2q0h s VAL 192 Ca 0.00 0.55 -0.21 0.00 0.00 0.00 0.00 61.98 62.32 2q0h s VAL 192 Cb -0.16 -4.40 0.05 0.00 0.00 0.00 0.00 36.38 31.87 2q0h s VAL 192 CO -0.08 -0.82 0.50 0.28 0.00 0.00 0.00 175.10 174.98 2q0h s THR 193 N 3.57 0.04 -0.18 3.92 -1.32 -1.07 0.78 115.64 121.38 2q0h s THR 193 Ca 0.33 -0.29 0.16 0.00 -1.21 0.00 0.00 61.69 60.68 2q0h s THR 193 Cb -0.11 -0.97 0.43 0.00 -1.51 0.00 0.00 72.50 70.33 2q0h s THR 193 CO 0.24 -0.16 1.31 1.41 -2.21 0.00 0.00 174.62 175.21 2q0h n HIS 194 N 0.41 0.53 -2.87 9.09 8.25 -1.26 -4.55 115.22 124.81 2q0h n HIS 194 Ca -0.18 -1.07 -0.43 0.00 -0.26 0.00 0.00 57.72 55.78 2q0h n HIS 194 Cb 0.60 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 2q0h n HIS 194 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2q0h s GLU 195 N -2.94 3.35 0.15 -0.41 0.41 -1.26 -4.90 118.70 113.10 2q0h s GLU 195 Ca 0.38 -1.27 -0.20 0.00 -0.41 0.00 0.00 54.97 53.47 2q0h s GLU 195 Cb 0.33 -4.60 0.05 0.00 -1.78 0.00 0.00 34.13 28.12 2q0h s GLU 195 CO 0.04 -1.82 1.65 1.98 -0.49 0.00 0.00 175.26 176.62 2q0h h MET 196 N 9.26 -0.14 -0.63 1.61 1.85 -2.00 -2.68 114.93 122.20 2q0h h MET 196 Ca -0.06 0.01 0.12 0.00 -0.61 0.00 0.00 59.70 59.16 2q0h h MET 196 Cb 1.05 0.03 -0.12 0.00 0.43 0.00 0.00 31.60 32.99 2q0h h MET 196 CO 1.16 -0.10 -0.26 0.78 -0.40 0.00 0.00 176.91 178.10 2q0h h GLY 197 N -0.15 0.17 0.79 1.39 0.00 -2.00 -0.72 103.07 102.56 2q0h h GLY 197 Ca 0.15 0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.84 2q0h h GLY 197 CO -0.37 -0.23 0.13 -2.75 0.00 0.00 0.00 176.54 173.32 2q0h h PHE 198 N -0.09 0.24 -0.29 5.60 3.57 -1.91 -1.94 116.94 122.12 2q0h h PHE 198 Ca 0.28 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.85 2q0h h PHE 198 Cb 0.53 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 2q0h h PHE 198 CO -0.59 0.12 -0.13 0.00 -2.23 0.00 0.00 178.31 175.48 2q0h h ALA 199 N 1.18 0.11 -0.81 2.41 0.00 -0.90 -1.94 119.26 119.32 2q0h h ALA 199 Ca 0.14 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2q0h h ALA 199 Cb 0.08 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2q0h h ALA 199 CO -0.12 -0.52 0.37 0.00 0.00 0.00 0.00 179.25 178.98 2q0h h ARG 200 N -0.08 1.18 0.02 0.00 3.08 -1.03 -0.14 114.38 117.41 2q0h h ARG 200 Ca 0.15 -0.18 -0.23 0.00 0.07 0.00 0.00 59.98 59.78 2q0h h ARG 200 Cb 0.31 -0.21 0.02 0.00 0.08 0.00 0.00 29.97 30.17 2q0h h ARG 200 CO -0.35 0.92 -0.93 1.49 -1.07 0.00 0.00 179.97 180.04 2q0h h GLU 201 N 1.16 0.59 0.00 0.04 4.81 -0.90 -3.41 114.58 116.88 2q0h h GLU 201 Ca 0.28 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2q0h h GLU 201 Cb 0.15 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2q0h h GLU 201 CO -0.03 1.27 0.00 1.33 -0.73 0.00 0.00 179.01 180.84 2q0h n VAL 202 N -3.97 0.00 -2.31 0.32 0.24 -0.77 -5.04 118.33 106.80 2q0h n VAL 202 Ca -0.11 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 2q0h n VAL 202 Cb 0.83 1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 34.26 2q0h n VAL 202 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2q0h s GLY 203 N -0.50 2.25 0.02 7.63 0.00 -0.07 -4.69 107.32 111.96 2q0h s GLY 203 Ca 0.00 0.97 -0.05 0.00 0.00 0.00 0.00 44.72 45.64 2q0h s GLY 203 CO 0.00 2.15 0.93 -0.55 0.00 0.00 0.00 173.10 175.63 2q0h h ASP 204 N 6.69 0.45 -4.32 1.64 3.32 -0.82 -3.42 116.42 119.96 2q0h h ASP 204 Ca -0.42 -0.57 -0.10 0.00 0.02 0.00 0.00 57.03 55.96 2q0h h ASP 204 Cb 1.21 -0.15 -0.22 0.00 0.22 0.00 0.00 39.33 40.40 2q0h h ASP 204 CO 0.83 1.46 -0.13 -0.60 -1.72 0.00 0.00 179.24 179.08 2q0h s ARG 205 N -2.62 0.66 -0.13 3.56 3.52 -1.15 -4.40 118.95 118.39 2q0h s ARG 205 Ca -0.08 0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.93 2q0h s ARG 205 Cb 0.07 0.31 -0.01 0.00 -1.56 0.00 0.00 34.95 33.76 2q0h s ARG 205 CO 0.87 -0.13 -0.15 0.08 -0.81 0.00 0.00 175.30 175.16 2q0h s VAL 206 N -0.32 2.86 -0.15 7.11 1.01 0.39 -1.35 120.40 129.96 2q0h s VAL 206 Ca -0.05 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2q0h s VAL 206 Cb -0.03 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2q0h s VAL 206 CO 0.03 0.53 -0.07 -0.76 0.00 0.00 0.00 175.10 174.83 2q0h s LEU 207 N 0.38 3.08 -0.28 3.92 1.43 0.06 -2.40 118.68 124.86 2q0h s LEU 207 Ca -0.12 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2q0h s LEU 207 Cb -0.16 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2q0h s LEU 207 CO 0.06 0.17 0.15 0.12 0.23 0.00 0.00 176.35 177.07 2q0h s PHE 208 N 0.35 3.17 -0.09 0.29 5.36 -0.20 -1.38 117.98 125.46 2q0h s PHE 208 Ca -0.06 -0.24 -0.03 0.00 -0.96 0.00 0.00 56.93 55.63 2q0h s PHE 208 Cb -0.15 -2.33 -0.03 0.00 -0.34 0.00 0.00 43.02 40.16 2q0h s PHE 208 CO 0.04 -0.31 0.03 -1.64 -1.46 0.00 0.00 175.22 171.88 2q0h s MET 209 N 1.68 3.09 -0.27 10.12 -1.94 0.07 -1.05 119.30 130.99 2q0h s MET 209 Ca 0.06 -0.34 -0.15 0.00 -1.71 0.00 0.00 55.69 53.55 2q0h s MET 209 Cb -0.16 -2.89 0.08 0.00 2.01 0.00 0.00 34.83 33.87 2q0h s MET 209 CO 0.07 0.72 0.66 0.34 -0.01 0.00 0.00 175.02 176.80 2q0h s ASP 210 N -0.91 -0.89 -1.64 3.03 2.15 -0.10 -4.09 116.67 114.21 2q0h s ASP 210 Ca 0.14 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.56 2q0h s ASP 210 Cb -0.11 1.31 0.00 0.00 -0.30 0.00 0.00 42.92 43.82 2q0h s ASP 210 CO 0.03 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2q0h n GLY 211 N 4.29 -0.35 1.39 2.66 0.00 -1.26 -2.20 105.19 109.71 2q0h n GLY 211 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2q0h n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q0h n GLY 212 N -0.93 0.75 3.42 -0.02 0.00 -1.21 -4.82 105.19 102.39 2q0h n GLY 212 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 2q0h n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q0h s TYR 213 N -2.77 1.93 -0.56 1.61 2.02 -0.94 -0.84 117.35 117.81 2q0h s TYR 213 Ca 0.00 -0.69 -0.17 0.00 -0.37 0.00 0.00 57.07 55.84 2q0h s TYR 213 Cb 0.00 -1.09 0.12 0.00 -0.40 0.00 0.00 41.96 40.59 2q0h s TYR 213 CO 0.00 0.28 0.58 0.42 -1.57 0.00 0.00 175.55 175.26 2q0h s ILE 214 N -3.01 5.05 0.26 2.71 1.01 -1.26 -0.93 121.20 125.03 2q0h s ILE 214 Ca 0.29 -1.26 0.11 0.00 0.00 0.00 0.00 60.65 59.79 2q0h s ILE 214 Cb 0.03 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 2q0h s ILE 214 CO 0.12 -0.96 1.60 0.40 0.00 0.00 0.00 174.94 176.10 2q0h h ILE 215 N 5.90 1.44 -2.50 2.92 1.08 -1.40 -3.47 117.51 121.48 2q0h h ILE 215 Ca -0.30 -2.16 -0.00 0.00 -0.39 0.00 0.00 64.86 62.01 2q0h h ILE 215 Cb 1.10 2.17 -0.15 0.00 -3.07 0.00 0.00 36.82 36.86 2q0h h ILE 215 CO 1.06 0.61 0.28 -0.70 -0.69 0.00 0.00 178.15 178.71 2q0h s GLU 216 N -3.56 1.09 0.27 2.37 2.12 -1.22 -4.96 118.70 114.81 2q0h s GLU 216 Ca -0.01 -0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.14 2q0h s GLU 216 Cb 0.12 0.51 -0.05 0.00 0.26 0.00 0.00 34.13 34.98 2q0h s GLU 216 CO 0.76 -0.43 0.12 -1.21 -0.54 0.00 0.00 175.26 173.95 2q0h s GLU 217 N -2.74 1.46 0.00 4.30 2.02 -1.26 -1.04 118.70 121.44 2q0h s GLU 217 Ca -0.02 -1.80 0.00 0.00 0.02 0.00 0.00 54.97 53.17 2q0h s GLU 217 Cb -0.01 -0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.03 2q0h s GLU 217 CO -0.05 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.30 2q0h n GLY 218 N -0.49 2.53 3.77 -1.39 0.00 -1.01 -4.87 105.19 103.73 2q0h n GLY 218 Ca 0.00 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 2q0h n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q0h s LYS 219 N -2.04 4.21 0.07 1.61 1.02 -1.26 -0.46 119.74 122.89 2q0h s LYS 219 Ca 0.00 2.11 -0.14 0.00 0.02 0.00 0.00 55.97 57.96 2q0h s LYS 219 Cb 0.00 -2.92 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2q0h s LYS 219 CO 0.00 -0.27 0.87 -2.30 -0.92 0.00 0.00 175.35 172.72 2q0h n PRO 220 N 0.50 -0.20 0.16 -1.68 -0.02 -1.26 -0.73 135.00 131.77 2q0h n PRO 220 Ca 0.02 0.85 0.03 0.00 -2.02 0.00 0.00 63.50 62.38 2q0h n PRO 220 Cb 0.43 -1.26 0.40 0.00 -0.02 0.00 0.00 33.50 33.05 2q0h n PRO 220 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2q0h h GLU 221 N 0.00 0.11 -0.34 -0.52 4.11 -1.91 -1.17 114.58 114.86 2q0h h GLU 221 Ca 0.07 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.43 2q0h h GLU 221 Cb 0.19 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2q0h h GLU 221 CO -0.44 0.34 0.02 -0.44 0.07 0.00 0.00 179.01 178.57 2q0h h ASP 222 N 0.10 0.57 -0.08 3.06 3.32 -1.29 -0.58 116.42 121.52 2q0h h ASP 222 Ca 0.02 -0.29 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 2q0h h ASP 222 Cb 0.47 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.88 2q0h h ASP 222 CO 0.03 0.72 -0.58 0.25 -1.72 0.00 0.00 179.24 177.94 2q0h h LEU 223 N 0.40 0.66 -0.20 1.55 6.46 -1.14 0.14 115.31 123.18 2q0h h LEU 223 Ca 0.10 -0.67 -0.05 0.00 -0.12 0.00 0.00 57.88 57.14 2q0h h LEU 223 Cb 0.42 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2q0h h LEU 223 CO 0.01 1.22 -0.08 -0.26 -0.62 0.00 0.00 178.44 178.72 2q0h h PHE 224 N 0.14 0.46 0.00 1.25 0.04 -1.26 -2.97 116.94 114.60 2q0h h PHE 224 Ca -0.05 -0.11 -0.25 0.00 2.80 0.00 0.00 57.97 60.36 2q0h h PHE 224 Cb 1.24 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 39.24 2q0h h PHE 224 CO 0.12 0.68 -1.69 -0.25 -0.60 0.00 0.00 178.31 176.56 2q0h n ASP 225 N -4.59 0.75 -2.52 2.17 8.00 -0.23 -4.51 116.55 115.62 2q0h n ASP 225 Ca -0.05 0.35 -0.21 0.00 0.71 0.00 0.00 54.79 55.59 2q0h n ASP 225 Cb 0.31 0.17 0.01 0.00 -0.02 0.00 0.00 41.12 41.59 2q0h n ASP 225 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2q0h n ARG 226 N -2.94 2.74 -1.61 -1.24 1.74 0.50 -5.05 116.66 110.79 2q0h n ARG 226 Ca -0.16 -4.12 -0.49 0.00 -0.77 0.00 0.00 57.85 52.31 2q0h n ARG 226 Cb 0.98 -1.95 -0.05 0.00 -1.02 0.00 0.00 32.46 30.43 2q0h n ARG 226 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2q0h n PRO 227 N -0.36 1.47 -0.02 5.56 -0.04 -1.12 -4.68 135.00 135.81 2q0h n PRO 227 Ca 0.30 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 2q0h n PRO 227 Cb 0.72 -2.16 -0.13 0.00 -0.04 0.00 0.00 33.50 31.89 2q0h n PRO 227 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2q0h n GLN 228 N 2.42 0.65 -3.96 0.54 -0.06 -1.26 -4.89 117.38 110.81 2q0h n GLN 228 Ca 0.16 0.03 -0.37 0.00 -2.00 0.00 0.00 57.00 54.83 2q0h n GLN 228 Cb 0.24 -1.64 -0.07 0.00 -4.06 0.00 0.00 30.24 24.71 2q0h n GLN 228 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2q0h s HIS 229 N -2.98 3.51 0.26 3.69 2.46 -1.26 -5.00 115.29 115.97 2q0h s HIS 229 Ca -0.06 0.46 -0.01 0.00 0.47 0.00 0.00 55.06 55.91 2q0h s HIS 229 Cb 0.09 -1.92 0.50 0.00 -0.13 0.00 0.00 32.58 31.12 2q0h s HIS 229 CO 0.84 0.67 1.79 1.49 -2.47 0.00 0.00 174.74 177.07 2q0h h GLU 230 N 5.09 0.73 -0.28 2.88 4.57 -1.99 -1.81 114.58 123.76 2q0h h GLU 230 Ca -0.54 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 57.52 2q0h h GLU 230 Cb 1.22 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 2q0h h GLU 230 CO 0.58 0.48 -0.16 0.00 -1.18 0.00 0.00 179.01 178.73 2q0h h ARG 231 N 0.75 0.50 -0.02 1.92 2.47 -1.99 -2.07 114.38 115.94 2q0h h ARG 231 Ca 0.45 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 59.01 2q0h h ARG 231 Cb 0.54 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2q0h h ARG 231 CO -0.31 0.65 0.01 1.15 0.56 0.00 0.00 179.97 182.03 2q0h h THR 232 N 0.46 1.18 -0.84 2.04 2.02 -1.75 -1.72 112.91 114.30 2q0h h THR 232 Ca 0.08 -0.55 0.08 0.00 0.77 0.00 0.00 66.41 66.79 2q0h h THR 232 Cb 0.55 1.51 -0.07 0.00 -1.74 0.00 0.00 68.15 68.41 2q0h h THR 232 CO 0.04 0.15 0.50 0.11 0.37 0.00 0.00 175.52 176.69 2q0h h LYS 233 N -0.19 0.86 -0.29 6.66 1.57 -1.20 0.17 116.57 124.14 2q0h h LYS 233 Ca 0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2q0h h LYS 233 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2q0h h LYS 233 CO 0.00 0.57 0.08 0.00 -0.57 0.00 0.00 179.45 179.53 2q0h h ALA 234 N 1.43 0.38 -0.45 3.86 0.00 -1.27 -2.14 119.26 121.08 2q0h h ALA 234 Ca 0.39 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2q0h h ALA 234 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2q0h h ALA 234 CO -0.21 0.03 -0.03 0.35 0.00 0.00 0.00 179.25 179.39 2q0h h PHE 235 N 0.31 0.90 -0.55 0.00 3.04 -0.74 -3.05 116.94 116.85 2q0h h PHE 235 Ca 0.09 -0.17 -0.00 0.00 3.98 0.00 0.00 57.97 61.87 2q0h h PHE 235 Cb 0.27 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.52 2q0h h PHE 235 CO 0.01 0.88 0.33 -0.07 -2.02 0.00 0.00 178.31 177.44 2q0h h LEU 236 N 0.66 0.65 0.00 0.59 3.38 -0.57 -1.64 115.31 118.37 2q0h h LEU 236 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2q0h h LEU 236 Cb 0.54 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2q0h h LEU 236 CO 0.03 0.50 0.00 -1.54 0.09 0.00 0.00 178.44 177.52 2q0h n SER 237 N -4.42 0.00 -0.33 -0.43 3.41 -0.82 -0.75 113.62 110.27 2q0h n SER 237 Ca 0.05 -0.26 0.10 0.00 -0.26 0.00 0.00 58.87 58.50 2q0h n SER 237 Cb 0.07 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 2q0h n SER 237 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2q0h n LYS 238 N -1.20 1.16 0.00 4.33 5.02 -0.62 -4.69 118.16 122.16 2q0h n LYS 238 Ca 0.13 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 2q0h n LYS 238 Cb 0.15 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2q0h n LYS 238 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2q0h n VAL 239 N -0.43 0.00 0.68 -0.18 0.31 -0.88 -5.12 118.33 112.71 2q0h n VAL 239 Ca 0.07 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.48 2q0h n VAL 239 Cb 0.39 -1.21 0.07 0.00 -0.91 0.00 0.00 33.84 32.19 2q0h n VAL 239 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00