#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n99 s HIS 0 N 0.00 1.63 0.42 1.61 4.02 -1.26 -5.02 115.29 116.68 3n99 s HIS 0 Ca 0.00 -0.57 -0.26 0.00 1.02 0.00 0.00 55.06 55.24 3n99 s HIS 0 Cb 0.00 -0.79 -0.09 0.00 -1.02 0.00 0.00 32.58 30.68 3n99 s HIS 0 CO 0.00 0.29 1.40 -1.64 1.02 0.00 0.00 174.74 175.80 3n99 s MET 1 N -3.36 3.89 0.12 1.40 -1.94 -1.26 -4.95 119.30 113.20 3n99 s MET 1 Ca 0.19 2.36 -0.31 0.00 -1.71 0.00 0.00 55.69 56.22 3n99 s MET 1 Cb -0.02 -2.77 -0.08 0.00 2.01 0.00 0.00 34.83 33.96 3n99 s MET 1 CO 0.05 -0.63 1.45 1.03 -0.01 0.00 0.00 175.02 176.91 3n99 s ARG 2 N -2.28 4.29 0.15 2.03 0.52 -1.26 -5.00 118.95 117.40 3n99 s ARG 2 Ca 0.57 2.15 0.00 0.00 -0.52 0.00 0.00 55.73 57.94 3n99 s ARG 2 Cb -0.42 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 31.74 3n99 s ARG 2 CO 0.55 -0.50 0.02 0.95 0.02 0.00 0.00 175.30 176.34 3n99 s THR 3 N 1.27 0.42 -0.32 0.02 -4.23 -1.26 -1.19 115.64 110.34 3n99 s THR 3 Ca 0.66 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.26 3n99 s THR 3 Cb -0.38 -2.04 0.23 0.00 1.34 0.00 0.00 72.50 71.64 3n99 s THR 3 CO 0.30 -0.51 1.18 -0.46 -0.54 0.00 0.00 174.62 174.60 3n99 n ASN 4 N -0.16 3.04 -0.17 3.99 6.94 -1.18 -4.67 115.26 123.06 3n99 n ASN 4 Ca -0.07 -2.46 0.15 0.00 -0.02 0.00 0.00 54.58 52.18 3n99 n ASN 4 Cb 0.63 -0.60 0.49 0.00 -2.36 0.00 0.00 39.78 37.94 3n99 n ASN 4 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 3n99 h LYS 5 N 0.61 0.44 0.00 -3.83 2.10 -1.95 -0.76 116.57 113.17 3n99 h LYS 5 Ca 0.15 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 3n99 h LYS 5 Cb 1.43 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3n99 h LYS 5 CO 0.30 0.29 0.00 -0.44 -2.00 0.00 0.00 179.45 177.60 3n99 h ASP 6 N 0.45 0.00 -0.21 7.07 3.32 -2.03 -2.50 116.42 122.53 3n99 h ASP 6 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3n99 h ASP 6 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3n99 h ASP 6 CO -0.13 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.93 3n99 n ARG 7 N -2.91 2.29 -2.72 3.56 1.74 -0.30 -4.94 116.66 113.39 3n99 n ARG 7 Ca 0.00 -1.92 -0.36 0.00 -0.77 0.00 0.00 57.85 54.80 3n99 n ARG 7 Cb 0.25 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 3n99 n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3n99 s LEU 8 N -1.72 4.22 -0.05 0.55 1.43 -0.94 -5.04 118.68 117.13 3n99 s LEU 8 Ca 0.34 1.87 -0.17 0.00 -1.03 0.00 0.00 54.13 55.14 3n99 s LEU 8 Cb 0.21 -4.15 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 3n99 s LEU 8 CO 0.31 -0.24 0.48 -0.69 0.23 0.00 0.00 176.35 176.44 3n99 s VAL 9 N -1.72 5.06 -0.19 -1.59 1.01 -1.26 -5.06 120.40 116.65 3n99 s VAL 9 Ca 0.54 0.98 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 3n99 s VAL 9 Cb -0.18 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 3n99 s VAL 9 CO 0.23 0.44 -0.07 -0.60 0.00 0.00 0.00 175.10 175.10 3n99 s ARG 10 N -0.16 3.42 -0.00 2.72 3.52 -1.26 -4.59 118.95 122.59 3n99 s ARG 10 Ca 0.26 -0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 55.18 3n99 s ARG 10 Cb -0.16 -2.89 -0.00 0.00 -1.56 0.00 0.00 34.95 30.34 3n99 s ARG 10 CO 0.13 -0.02 0.10 -1.50 -0.81 0.00 0.00 175.30 173.20 3n99 s ILE 11 N 1.00 0.07 -0.11 4.11 2.07 -0.66 -4.97 121.20 122.73 3n99 s ILE 11 Ca -0.00 -0.62 -0.30 0.00 -1.41 0.00 0.00 60.65 58.32 3n99 s ILE 11 Cb -0.15 -0.35 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 3n99 s ILE 11 CO -0.00 -0.34 1.38 -0.94 -1.91 0.00 0.00 174.94 173.13 3n99 s SER 12 N -1.15 6.87 -0.17 4.50 1.04 -1.26 -0.60 113.70 122.93 3n99 s SER 12 Ca -0.12 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.20 3n99 s SER 12 Cb -0.07 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.52 3n99 s SER 12 CO 0.01 -0.79 -0.16 -0.69 0.98 0.00 0.00 173.24 172.59 3n99 s VAL 13 N 3.40 2.51 0.09 5.02 1.01 0.29 -4.93 120.40 127.79 3n99 s VAL 13 Ca 0.61 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3n99 s VAL 13 Cb -0.26 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3n99 s VAL 13 CO 0.21 0.51 0.00 0.68 0.00 0.00 0.00 175.10 176.50 3n99 s VAL 14 N 1.07 4.04 0.00 2.92 -7.23 -1.26 -0.28 120.40 119.65 3n99 s VAL 14 Ca -0.01 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 3n99 s VAL 14 Cb -0.14 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.87 3n99 s VAL 14 CO -0.05 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 3n99 n GLY 15 N 0.56 3.75 3.16 2.32 0.00 -0.59 -4.67 105.19 109.73 3n99 n GLY 15 Ca -0.11 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 3n99 n GLY 15 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3n99 s GLU 16 N 1.29 0.67 0.11 1.61 -1.05 0.59 -0.63 118.70 121.28 3n99 s GLU 16 Ca 0.00 -0.71 -0.31 0.00 -0.15 0.00 0.00 54.97 53.80 3n99 s GLU 16 Cb 0.00 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.87 3n99 s GLU 16 CO 0.00 -0.19 1.69 0.42 0.95 0.00 0.00 175.26 178.13 3n99 s ILE 17 N -2.72 2.78 0.31 1.83 1.01 -0.21 -1.25 121.20 122.96 3n99 s ILE 17 Ca -0.04 0.33 -0.24 0.00 0.00 0.00 0.00 60.65 60.70 3n99 s ILE 17 Cb -0.00 -3.21 -0.10 0.00 0.01 0.00 0.00 42.46 39.15 3n99 s ILE 17 CO -0.05 0.00 0.91 0.00 0.00 0.00 0.00 174.94 175.80 3n99 s ALA 18 N 2.36 3.23 0.86 9.38 0.00 0.06 -1.22 121.76 136.43 3n99 s ALA 18 Ca 0.75 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 3n99 s ALA 18 Cb -0.43 -3.11 0.11 0.00 0.00 0.00 0.00 23.12 19.69 3n99 s ALA 18 CO 0.33 0.20 1.10 -1.25 0.00 0.00 0.00 175.76 176.14 3n99 s PRO 19 N -2.14 1.53 0.19 0.00 0.04 -1.26 -1.61 135.00 131.76 3n99 s PRO 19 Ca 0.50 1.09 -0.33 0.00 0.04 0.00 0.00 61.00 62.30 3n99 s PRO 19 Cb -0.17 -1.82 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 3n99 s PRO 19 CO 0.22 -2.13 1.55 0.00 0.04 0.00 0.00 177.00 176.68 3n99 n ALA 20 N -3.84 1.45 -2.34 8.56 0.00 -1.26 -2.25 120.51 120.82 3n99 n ALA 20 Ca 0.08 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.65 3n99 n ALA 20 Cb 0.54 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.49 3n99 n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3n99 s LYS 21 N 0.54 2.10 -0.16 0.00 1.02 -0.57 -4.89 119.74 117.78 3n99 s LYS 21 Ca 0.75 -0.94 -0.07 0.00 0.02 0.00 0.00 55.97 55.73 3n99 s LYS 21 Cb -0.65 -2.08 0.07 0.00 -0.52 0.00 0.00 37.83 34.64 3n99 s LYS 21 CO 0.41 0.56 0.37 -1.64 -0.92 0.00 0.00 175.35 174.13 3n99 s MET 22 N -0.78 0.31 0.29 1.68 -1.94 -1.26 -3.86 119.30 113.74 3n99 s MET 22 Ca 0.11 0.82 0.25 0.00 -1.71 0.00 0.00 55.69 55.15 3n99 s MET 22 Cb -0.10 0.06 0.54 0.00 2.01 0.00 0.00 34.83 37.34 3n99 s MET 22 CO 0.00 -0.20 1.63 0.00 -0.01 0.00 0.00 175.02 176.44 3n99 h ARG 23 N 7.59 0.00 -2.99 2.03 3.08 -1.99 -3.46 114.38 118.64 3n99 h ARG 23 Ca -0.28 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 3n99 h ARG 23 Cb 1.15 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.03 3n99 h ARG 23 CO 0.24 0.00 -0.13 0.45 -1.07 0.00 0.00 179.97 179.46 3n99 s SER 24 N -5.21 -0.28 0.51 7.04 0.15 -1.26 -5.02 113.70 109.64 3n99 s SER 24 Ca 0.08 0.04 0.26 0.00 0.70 0.00 0.00 55.95 57.04 3n99 s SER 24 Cb 0.09 0.41 1.40 0.00 -1.71 0.00 0.00 66.02 66.21 3n99 s SER 24 CO 0.65 -0.62 2.06 1.55 1.20 0.00 0.00 173.24 178.07 3n99 h PRO 25 N 3.17 0.00 -6.05 5.44 0.13 -1.96 -3.44 132.00 129.28 3n99 h PRO 25 Ca -0.31 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.22 3n99 h PRO 25 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 3n99 h PRO 25 CO 0.43 0.13 -0.27 0.71 -0.23 0.00 0.00 178.00 178.77 3n99 s TYR 26 N -4.20 3.60 -0.12 1.56 2.02 -1.26 -4.21 117.35 114.74 3n99 s TYR 26 Ca -0.03 0.77 -0.03 0.00 -0.37 0.00 0.00 57.07 57.42 3n99 s TYR 26 Cb 0.13 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 3n99 s TYR 26 CO 0.59 0.56 -0.02 -1.12 -1.57 0.00 0.00 175.55 173.99 3n99 s SER 27 N -1.65 4.99 -0.21 2.29 0.01 0.81 -4.93 113.70 115.01 3n99 s SER 27 Ca 0.30 -0.00 -0.13 0.00 1.31 0.00 0.00 55.95 57.43 3n99 s SER 27 Cb -0.14 -1.60 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 3n99 s SER 27 CO 0.17 0.27 0.28 -0.69 0.41 0.00 0.00 173.24 173.67 3n99 s VAL 28 N -0.23 5.29 0.72 3.43 1.01 -1.26 -1.32 120.40 128.03 3n99 s VAL 28 Ca 0.05 0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 3n99 s VAL 28 Cb -0.13 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.72 3n99 s VAL 28 CO 0.02 0.32 1.02 0.42 0.00 0.00 0.00 175.10 176.88 3n99 s THR 29 N 1.02 2.27 0.22 3.92 -4.23 -0.01 -3.52 115.64 115.30 3n99 s THR 29 Ca 0.14 -0.32 0.28 0.00 -1.18 0.00 0.00 61.69 60.61 3n99 s THR 29 Cb -0.14 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.05 3n99 s THR 29 CO 0.05 0.00 1.95 0.71 -0.54 0.00 0.00 174.62 176.79 3n99 h THR 30 N -0.63 0.40 -0.00 3.99 1.35 -1.58 -2.19 112.91 114.25 3n99 h THR 30 Ca -0.43 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 3n99 h THR 30 Cb 1.30 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3n99 h THR 30 CO 0.55 0.13 -0.00 -0.62 -0.25 0.00 0.00 175.52 175.33 3n99 n GLU 31 N -3.36 0.99 -2.17 4.72 4.71 -1.26 -4.92 120.64 119.34 3n99 n GLU 31 Ca -0.00 -0.07 -0.07 0.00 -0.01 0.00 0.00 57.16 57.00 3n99 n GLU 31 Cb 0.34 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.27 3n99 n GLU 31 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3n99 n GLY 32 N 1.04 0.09 3.78 0.62 0.00 -0.82 -5.06 105.19 104.84 3n99 n GLY 32 Ca 0.23 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 3n99 n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3n99 s THR 33 N -2.39 2.47 0.05 2.61 -4.23 -1.26 -4.90 115.64 107.99 3n99 s THR 33 Ca 0.01 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 59.03 3n99 s THR 33 Cb -0.00 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 3n99 s THR 33 CO 0.01 -0.01 -0.25 0.68 -0.54 0.00 0.00 174.62 174.51 3n99 s VAL 34 N -2.55 2.25 -0.01 2.29 -7.23 -1.26 -0.83 120.40 113.07 3n99 s VAL 34 Ca 0.43 -1.37 0.03 0.00 -1.81 0.00 0.00 61.98 59.26 3n99 s VAL 34 Cb 0.01 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 3n99 s VAL 34 CO 0.24 0.35 -0.09 -0.13 -0.31 0.00 0.00 175.10 175.16 3n99 s ARG 35 N -1.30 0.75 -0.53 4.82 0.52 -0.44 -4.94 118.95 117.83 3n99 s ARG 35 Ca 0.12 -0.35 -0.18 0.00 -0.52 0.00 0.00 55.73 54.80 3n99 s ARG 35 Cb -0.10 -0.72 0.08 0.00 0.52 0.00 0.00 34.95 34.73 3n99 s ARG 35 CO 0.03 0.20 0.61 0.08 0.02 0.00 0.00 175.30 176.23 3n99 s VAL 36 N -0.25 4.93 0.03 3.52 1.01 -1.26 -0.14 120.40 128.25 3n99 s VAL 36 Ca 0.03 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 3n99 s VAL 36 Cb -0.04 -4.33 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 3n99 s VAL 36 CO -0.00 -0.87 0.06 0.27 0.00 0.00 0.00 175.10 174.56 3n99 s ILE 37 N 2.43 0.14 0.69 2.22 -4.36 -1.26 -5.05 121.20 116.00 3n99 s ILE 37 Ca 0.11 -1.12 -0.17 0.00 -0.26 0.00 0.00 60.65 59.22 3n99 s ILE 37 Cb -0.22 -0.82 0.00 0.00 1.25 0.00 0.00 42.46 42.67 3n99 s ILE 37 CO 0.09 -0.61 1.15 -2.65 0.24 0.00 0.00 174.94 173.15 3n99 n PRO 38 N 0.88 0.78 0.00 0.37 -0.02 -1.26 -4.80 135.00 130.95 3n99 n PRO 38 Ca -0.20 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3n99 n PRO 38 Cb 0.58 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3n99 n PRO 38 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3n99 n VAL 39 N -2.26 0.00 -3.11 -1.45 0.31 -1.26 -1.65 118.33 108.92 3n99 n VAL 39 Ca 0.15 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.27 3n99 n VAL 39 Cb 0.49 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.48 3n99 n VAL 39 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 3n99 s LEU 40 N 0.00 3.00 0.00 7.52 0.05 -1.25 -4.30 118.68 123.69 3n99 s LEU 40 Ca 0.00 -0.94 0.00 0.00 0.05 0.00 0.00 54.13 53.24 3n99 s LEU 40 Cb 0.00 -1.46 0.00 0.00 -2.05 0.00 0.00 46.19 42.68 3n99 s LEU 40 CO 0.00 -1.40 0.00 0.61 -0.55 0.00 0.00 176.35 175.01 3n99 n GLY 41 N -2.26 -2.47 0.39 -3.48 0.00 -1.26 -1.50 105.19 94.61 3n99 n GLY 41 Ca 0.15 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.55 3n99 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n99 n GLY 42 N -0.42 -2.21 3.55 -0.02 0.00 -0.63 -4.55 105.19 100.91 3n99 n GLY 42 Ca 0.00 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 3n99 n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n99 s ILE 43 N -1.13 4.82 -0.36 -0.61 1.01 -1.26 -1.26 121.20 122.41 3n99 s ILE 43 Ca 0.00 0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.91 3n99 s ILE 43 Cb 0.00 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 3n99 s ILE 43 CO 0.00 -0.48 0.41 -0.89 0.00 0.00 0.00 174.94 173.98 3n99 s THR 44 N 2.86 5.12 -0.13 2.92 2.01 -0.43 -4.97 115.64 123.03 3n99 s THR 44 Ca 0.25 0.03 0.17 0.00 0.31 0.00 0.00 61.69 62.45 3n99 s THR 44 Cb -0.14 -3.90 0.12 0.00 0.01 0.00 0.00 72.50 68.60 3n99 s THR 44 CO 0.18 -0.19 1.53 1.88 -0.69 0.00 0.00 174.62 177.33 3n99 h TYR 45 N 8.52 0.00 0.00 4.92 0.05 -1.96 -3.34 116.97 125.16 3n99 h TYR 45 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.49 3n99 h TYR 45 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 3n99 h TYR 45 CO 0.68 0.40 -0.14 0.27 -1.05 0.00 0.00 178.16 178.32 3n99 n ASN 46 N -3.25 1.24 -4.02 3.88 6.94 -1.26 -4.96 115.26 113.83 3n99 n ASN 46 Ca 0.02 -2.22 -0.28 0.00 -0.02 0.00 0.00 54.58 52.08 3n99 n ASN 46 Cb 0.66 -0.21 -0.17 0.00 -2.36 0.00 0.00 39.78 37.70 3n99 n ASN 46 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3n99 s VAL 47 N -1.22 1.36 0.12 3.53 1.01 -1.26 -5.11 120.40 118.83 3n99 s VAL 47 Ca 0.11 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3n99 s VAL 47 Cb 0.10 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3n99 s VAL 47 CO 0.01 0.42 0.08 -1.59 0.00 0.00 0.00 175.10 174.01 3n99 s LYS 48 N 1.16 0.92 0.21 2.72 -2.85 -1.26 -2.11 119.74 118.52 3n99 s LYS 48 Ca -0.04 -1.38 -0.32 0.00 -1.00 0.00 0.00 55.97 53.23 3n99 s LYS 48 Cb -0.14 0.26 -0.14 0.00 -2.06 0.00 0.00 37.83 35.75 3n99 s LYS 48 CO -0.04 -0.26 1.46 1.55 0.10 0.00 0.00 175.35 178.16 3n99 n VAL 49 N -0.09 0.58 0.00 1.79 3.14 -1.26 -0.77 118.33 121.72 3n99 n VAL 49 Ca -0.07 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3n99 n VAL 49 Cb 0.63 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.95 3n99 n VAL 49 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3n99 n GLY 50 N 2.61 3.34 3.86 7.55 0.00 -0.05 -4.90 105.19 117.61 3n99 n GLY 50 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3n99 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3n99 s ASP 51 N -0.95 5.80 0.42 1.61 1.01 0.05 -4.73 116.67 119.88 3n99 s ASP 51 Ca 0.00 1.37 -0.26 0.00 0.71 0.00 0.00 52.55 54.38 3n99 s ASP 51 Cb 0.00 -2.32 -0.10 0.00 1.01 0.00 0.00 42.92 41.52 3n99 s ASP 51 CO 0.00 -1.14 1.34 -0.24 0.21 0.00 0.00 175.17 175.33 3n99 n SER 52 N -2.92 2.90 0.18 0.27 2.88 -1.26 -0.64 113.62 115.02 3n99 n SER 52 Ca 0.07 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.87 3n99 n SER 52 Cb 0.55 -1.54 0.39 0.00 -0.75 0.00 0.00 64.21 62.86 3n99 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3n99 h ALA 53 N 2.26 1.00 -1.86 -1.46 0.00 -1.20 -3.42 119.26 114.57 3n99 h ALA 53 Ca -0.49 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.88 3n99 h ALA 53 Cb 1.28 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 3n99 h ALA 53 CO 0.61 0.00 -0.53 0.71 0.00 0.00 0.00 179.25 180.04 3n99 s TYR 54 N -3.26 2.72 0.00 0.00 1.51 -1.26 -0.26 117.35 116.79 3n99 s TYR 54 Ca 0.07 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 3n99 s TYR 54 Cb 0.09 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.27 3n99 s TYR 54 CO 0.58 0.32 0.00 0.41 -1.11 0.00 0.00 175.55 175.75 3n99 n GLY 55 N -1.17 0.80 3.82 0.71 0.00 -1.26 -5.02 105.19 103.07 3n99 n GLY 55 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3n99 n GLY 55 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3n99 s TRP 56 N -3.11 3.74 -1.34 1.61 0.52 -1.26 -4.99 118.94 114.11 3n99 s TRP 56 Ca 0.00 1.16 -0.16 0.00 0.02 0.00 0.00 56.10 57.12 3n99 s TRP 56 Cb 0.00 -2.42 0.02 0.00 -1.15 0.00 0.00 33.47 29.92 3n99 s TRP 56 CO 0.00 0.55 2.05 0.00 0.02 0.00 0.00 176.95 179.57 3n99 n ALA 57 N 1.47 4.63 -3.78 0.98 0.00 -1.26 -4.83 120.51 117.71 3n99 n ALA 57 Ca -0.10 -3.78 -0.04 0.00 0.00 0.00 0.00 53.44 49.52 3n99 n ALA 57 Cb 0.51 -3.57 -0.01 0.00 0.00 0.00 0.00 19.45 16.39 3n99 n ALA 57 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3n99 s GLY 58 N 3.79 -0.15 -0.03 0.00 0.00 -1.26 -4.27 107.32 105.40 3n99 s GLY 58 Ca 0.51 -0.01 0.02 0.00 0.00 0.00 0.00 44.72 45.23 3n99 s GLY 58 CO -0.01 0.27 -0.06 -0.35 0.00 0.00 0.00 173.10 172.94 3n99 s ASP 59 N -3.00 0.93 -1.45 1.64 2.15 -0.66 -4.75 116.67 111.53 3n99 s ASP 59 Ca 0.13 -0.14 -0.11 0.00 0.43 0.00 0.00 52.55 52.87 3n99 s ASP 59 Cb -0.02 -0.32 0.08 0.00 -0.30 0.00 0.00 42.92 42.36 3n99 s ASP 59 CO 0.03 0.01 0.71 1.41 -0.17 0.00 0.00 175.17 177.16 3n99 n HIS 60 N 3.55 -1.99 -2.30 -5.34 8.25 -1.01 -4.10 115.22 112.29 3n99 n HIS 60 Ca -0.20 0.66 -0.42 0.00 -0.26 0.00 0.00 57.72 57.50 3n99 n HIS 60 Cb 0.53 -3.49 -0.03 0.00 1.12 0.00 0.00 29.99 28.12 3n99 n HIS 60 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3n99 s VAL 61 N -3.12 3.68 -0.27 1.59 1.01 -1.26 -4.00 120.40 118.03 3n99 s VAL 61 Ca 0.52 1.20 -0.11 0.00 0.00 0.00 0.00 61.98 63.59 3n99 s VAL 61 Cb -0.27 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3n99 s VAL 61 CO 0.64 0.09 0.18 -1.61 0.00 0.00 0.00 175.10 174.40 3n99 s GLU 62 N 1.16 3.96 0.55 2.72 2.02 -1.26 -1.28 118.70 126.56 3n99 s GLU 62 Ca 0.62 -0.32 -0.21 0.00 0.02 0.00 0.00 54.97 55.08 3n99 s GLU 62 Cb -0.33 -3.63 -0.05 0.00 0.10 0.00 0.00 34.13 30.23 3n99 s GLU 62 CO 0.29 -0.15 1.29 -1.25 0.02 0.00 0.00 175.26 175.47 3n99 s PRO 63 N 1.65 3.14 6.21 0.39 0.04 -1.26 -4.61 135.00 140.55 3n99 s PRO 63 Ca 0.07 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.18 3n99 s PRO 63 Cb -0.16 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3n99 s PRO 63 CO 0.10 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.41 3n99 n GLY 64 N 0.67 2.19 3.42 0.56 0.00 -0.90 -4.49 105.19 106.64 3n99 n GLY 64 Ca 0.11 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 3n99 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n99 s VAL 65 N 0.00 4.19 -0.06 1.61 1.01 -0.49 -1.31 120.40 125.35 3n99 s VAL 65 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 3n99 s VAL 65 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3n99 s VAL 65 CO 0.00 0.31 0.76 -0.44 0.00 0.00 0.00 175.10 175.72 3n99 s SER 66 N 1.59 7.04 -0.18 3.32 0.01 -0.39 -0.75 113.70 124.35 3n99 s SER 66 Ca 0.06 1.26 -0.01 0.00 1.31 0.00 0.00 55.95 58.57 3n99 s SER 66 Cb -0.15 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3n99 s SER 66 CO 0.03 -0.16 -0.13 -0.69 0.41 0.00 0.00 173.24 172.70 3n99 s VAL 67 N 0.95 2.77 0.40 3.43 1.01 0.34 -0.76 120.40 128.54 3n99 s VAL 67 Ca 0.40 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3n99 s VAL 67 Cb -0.18 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3n99 s VAL 67 CO 0.19 0.49 0.24 0.00 0.00 0.00 0.00 175.10 176.03 3n99 s MET 68 N 1.08 2.36 0.61 2.72 0.23 -0.38 -0.96 119.30 124.96 3n99 s MET 68 Ca -0.00 -1.68 -0.17 0.00 -1.03 0.00 0.00 55.69 52.81 3n99 s MET 68 Cb -0.14 -2.16 -0.02 0.00 -1.53 0.00 0.00 34.83 30.97 3n99 s MET 68 CO -0.03 -0.10 1.13 0.00 -2.03 0.00 0.00 175.02 173.98 3n99 s ALA 69 N -2.52 2.55 0.41 3.16 0.00 -1.26 -0.30 121.76 123.80 3n99 s ALA 69 Ca 0.43 0.69 0.10 0.00 0.00 0.00 0.00 51.96 53.18 3n99 s ALA 69 Cb 0.00 -3.35 0.87 0.00 0.00 0.00 0.00 23.12 20.64 3n99 s ALA 69 CO 0.24 -1.09 1.97 0.00 0.00 0.00 0.00 175.76 176.89 3n99 h ARG 70 N 0.53 0.25 -2.75 0.00 3.08 -1.90 -3.45 114.38 110.14 3n99 h ARG 70 Ca -0.48 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 59.60 3n99 h ARG 70 Cb 1.26 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.18 3n99 h ARG 70 CO 0.55 0.32 0.32 -0.98 -1.07 0.00 0.00 179.97 179.11 3n99 s ARG 71 N -4.89 1.39 0.31 0.04 1.70 -1.26 -5.07 118.95 111.16 3n99 s ARG 71 Ca -0.06 -0.69 -0.00 0.00 -0.47 0.00 0.00 55.73 54.51 3n99 s ARG 71 Cb 0.16 0.53 0.50 0.00 -0.57 0.00 0.00 34.95 35.57 3n99 s ARG 71 CO 0.72 -0.63 1.94 -0.22 -1.08 0.00 0.00 175.30 176.04 3n99 h LYS 72 N 2.00 1.02 0.00 3.89 3.64 -2.03 -2.11 116.57 122.98 3n99 h LYS 72 Ca -0.24 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 3n99 h LYS 72 Cb 1.26 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3n99 h LYS 72 CO 0.28 0.68 -0.05 0.93 -2.27 0.00 0.00 179.45 179.02 3n99 h GLU 73 N 1.05 0.00 -0.21 1.90 3.07 -2.00 -2.14 114.58 116.26 3n99 h GLU 73 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3n99 h GLU 73 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3n99 h GLU 73 CO -0.10 0.05 0.00 0.39 -1.40 0.00 0.00 179.01 177.95 3n99 n GLU 74 N -3.32 1.97 -0.02 2.33 1.02 -0.79 -4.41 120.64 117.41 3n99 n GLU 74 Ca -0.02 -1.45 -0.16 0.00 -0.02 0.00 0.00 57.16 55.52 3n99 n GLU 74 Cb 0.20 -1.43 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 3n99 n GLU 74 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3n99 h GLU 75 N 2.97 0.30 -0.20 3.49 5.08 -1.47 -2.77 114.58 121.98 3n99 h GLU 75 Ca 0.00 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3n99 h GLU 75 Cb 0.65 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3n99 h GLU 75 CO 0.00 0.96 0.06 0.82 -1.00 0.00 0.00 179.01 179.85 3n99 h ILE 76 N -0.25 0.94 -0.60 3.13 2.04 -1.78 -0.31 117.51 120.68 3n99 h ILE 76 Ca -0.04 -0.05 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 3n99 h ILE 76 Cb 1.06 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3n99 h ILE 76 CO 0.07 0.03 0.01 1.55 0.00 0.00 0.00 178.15 179.81 3n99 h PRO 77 N 0.16 1.05 -0.20 2.37 0.13 -1.84 0.13 132.00 133.80 3n99 h PRO 77 Ca 0.09 -0.32 0.06 0.00 -0.87 0.00 0.00 66.00 64.95 3n99 h PRO 77 Cb 0.06 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 31.03 3n99 h PRO 77 CO -0.10 1.01 -0.21 1.25 -0.23 0.00 0.00 178.00 179.73 3n99 h LEU 78 N 0.96 -0.66 -0.47 1.56 5.85 -1.22 -0.85 115.31 120.48 3n99 h LEU 78 Ca 0.17 0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.84 3n99 h LEU 78 Cb 0.53 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3n99 h LEU 78 CO 0.03 -0.25 -0.75 0.24 -0.34 0.00 0.00 178.44 177.37 3n99 h MET 79 N -0.23 0.19 0.06 1.25 2.86 -0.87 -3.13 114.93 115.06 3n99 h MET 79 Ca 0.12 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 3n99 h MET 79 Cb 0.41 0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.12 3n99 h MET 79 CO -0.34 0.85 -0.40 1.15 1.06 0.00 0.00 176.91 179.23 3n99 h THR 80 N 0.12 1.64 0.00 2.22 2.02 -0.87 -3.39 112.91 114.64 3n99 h THR 80 Ca -0.02 -2.42 -0.11 0.00 0.77 0.00 0.00 66.41 64.62 3n99 h THR 80 Cb 1.32 3.26 -0.02 0.00 -1.74 0.00 0.00 68.15 70.98 3n99 h THR 80 CO 0.11 0.65 -0.62 -0.07 0.37 0.00 0.00 175.52 175.96 3n99 h LEU 81 N -0.73 0.00 -9.45 2.58 3.38 -1.28 -3.45 115.31 106.35 3n99 h LEU 81 Ca -0.08 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.36 3n99 h LEU 81 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3n99 h LEU 81 CO 0.05 0.51 0.64 -0.44 0.09 0.00 0.00 178.44 179.30 3n99 s SER 82 N -6.38 7.01 0.08 -0.43 0.01 -1.18 -4.00 113.70 108.81 3n99 s SER 82 Ca 0.03 2.04 0.10 0.00 1.31 0.00 0.00 55.95 59.43 3n99 s SER 82 Cb 0.08 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 3n99 s SER 82 CO 0.75 -0.55 -0.26 0.00 0.41 0.00 0.00 173.24 173.60 3n99 n ILE 84 N 1.45 0.56 0.00 0.00 5.41 -0.25 -0.87 119.36 125.68 3n99 n ILE 84 Ca -0.17 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.48 3n99 n ILE 84 Cb 0.52 -2.07 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 3n99 n ILE 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3n99 n GLY 85 N 4.35 3.16 3.65 7.39 0.00 0.89 -0.90 105.19 123.74 3n99 n GLY 85 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3n99 n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3n99 n ASN 86 N 0.00 1.54 -4.76 1.61 5.03 -0.04 -4.58 115.26 114.05 3n99 n ASN 86 Ca 0.00 0.96 -0.41 0.00 0.87 0.00 0.00 54.58 56.00 3n99 n ASN 86 Cb 0.00 -1.42 -0.02 0.00 -1.02 0.00 0.00 39.78 37.31 3n99 n ASN 86 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3n99 s GLU 87 N -2.42 4.34 -0.04 3.52 2.12 -1.26 -1.60 118.70 123.35 3n99 s GLU 87 Ca 0.68 2.22 0.04 0.00 0.36 0.00 0.00 54.97 58.27 3n99 s GLU 87 Cb -0.48 -3.09 -0.00 0.00 0.26 0.00 0.00 34.13 30.82 3n99 s GLU 87 CO 0.53 -0.25 -0.15 0.08 -0.54 0.00 0.00 175.26 174.93 3n99 s VAL 88 N -0.76 1.27 -0.06 3.70 1.01 0.20 -1.34 120.40 124.42 3n99 s VAL 88 Ca 0.52 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.91 3n99 s VAL 88 Cb -0.40 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3n99 s VAL 88 CO 0.49 0.37 -0.17 -0.63 0.00 0.00 0.00 175.10 175.17 3n99 s ILE 89 N 0.09 1.46 -0.05 2.22 1.01 0.12 -0.59 121.20 125.46 3n99 s ILE 89 Ca -0.04 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.64 3n99 s ILE 89 Cb -0.11 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 3n99 s ILE 89 CO 0.02 0.42 0.85 -0.69 0.00 0.00 0.00 174.94 175.54 3n99 s VAL 90 N 0.31 4.94 -0.10 2.92 1.01 -0.40 -0.82 120.40 128.25 3n99 s VAL 90 Ca -0.11 1.75 0.01 0.00 0.00 0.00 0.00 61.98 63.63 3n99 s VAL 90 Cb -0.14 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.07 3n99 s VAL 90 CO 0.04 0.17 0.73 0.23 0.00 0.00 0.00 175.10 176.27 3n99 n MET 91 N 4.06 0.67 -3.96 2.72 2.81 -0.12 -0.59 117.12 122.70 3n99 n MET 91 Ca 0.03 -0.95 -0.09 0.00 -1.81 0.00 0.00 57.70 54.88 3n99 n MET 91 Cb 0.51 -1.02 -0.05 0.00 -0.71 0.00 0.00 33.22 31.95 3n99 n MET 91 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3n99 s SER 92 N -0.45 -0.11 0.00 7.83 1.04 -1.25 -4.86 113.70 115.91 3n99 s SER 92 Ca 0.01 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.58 3n99 s SER 92 Cb 0.01 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3n99 s SER 92 CO 0.01 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.72 3n99 n GLY 93 N -0.37 -2.41 0.25 7.32 0.00 -1.26 -3.87 105.19 104.86 3n99 n GLY 93 Ca -0.03 -1.64 0.17 0.00 0.00 0.00 0.00 46.02 44.52 3n99 n GLY 93 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3n99 h ASP 94 N 0.00 0.00 -0.54 1.61 3.32 -1.98 -2.61 116.42 116.22 3n99 h ASP 94 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n99 h ASP 94 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3n99 h ASP 94 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3n99 n ALA 95 N -2.00 2.71 -1.55 3.45 0.00 -1.26 -5.01 120.51 116.85 3n99 n ALA 95 Ca 0.00 -1.52 -0.54 0.00 0.00 0.00 0.00 53.44 51.37 3n99 n ALA 95 Cb 0.23 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 3n99 n ALA 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3n99 n LYS 96 N 0.85 0.69 0.00 0.00 4.81 -0.99 -0.82 118.16 122.70 3n99 n LYS 96 Ca 0.21 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 3n99 n LYS 96 Cb 0.72 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.96 3n99 n LYS 96 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3n99 n GLY 97 N 2.09 3.21 3.76 3.14 0.00 0.24 -4.99 105.19 112.63 3n99 n GLY 97 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3n99 n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n99 s SER 98 N -0.39 5.78 0.02 1.61 0.01 0.00 -4.74 113.70 115.99 3n99 s SER 98 Ca 0.00 2.90 0.07 0.00 1.31 0.00 0.00 55.95 60.23 3n99 s SER 98 Cb 0.00 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 3n99 s SER 98 CO 0.00 -1.24 -0.21 -0.13 0.41 0.00 0.00 173.24 172.07 3n99 s ARG 99 N -2.52 2.07 0.00 12.44 0.52 -1.26 -1.28 118.95 128.92 3n99 s ARG 99 Ca 0.63 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 3n99 s ARG 99 Cb -0.43 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 32.90 3n99 s ARG 99 CO 0.55 0.55 0.00 0.41 0.02 0.00 0.00 175.30 176.83 3n99 n GLY 100 N 1.87 3.70 2.91 -3.53 0.00 0.24 -4.65 105.19 105.73 3n99 n GLY 100 Ca -0.16 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 3n99 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n99 s PHE 101 N -3.47 0.16 0.05 1.61 0.40 -0.86 -0.63 117.98 115.24 3n99 s PHE 101 Ca 0.00 -0.09 -0.31 0.00 -0.60 0.00 0.00 56.93 55.93 3n99 s PHE 101 Cb 0.00 -0.10 -0.06 0.00 0.51 0.00 0.00 43.02 43.37 3n99 s PHE 101 CO 0.00 -0.02 1.35 0.08 0.70 0.00 0.00 175.22 177.32 3n99 s VAL 102 N -0.22 3.65 -0.05 -0.44 1.01 -0.63 -0.99 120.40 122.73 3n99 s VAL 102 Ca -0.01 1.13 0.18 0.00 0.00 0.00 0.00 61.98 63.27 3n99 s VAL 102 Cb -0.02 -3.72 -0.28 0.00 0.00 0.00 0.00 36.38 32.36 3n99 s VAL 102 CO -0.00 0.05 0.41 0.35 0.00 0.00 0.00 175.10 175.91 3n99 n THR 103 N 4.25 0.00 -1.06 3.92 -2.24 0.24 -0.07 114.28 119.32 3n99 n THR 103 Ca 0.12 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3n99 n THR 103 Cb 0.44 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3n99 n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n99 n GLY 104 N 1.48 -1.33 3.37 3.38 0.00 -1.16 -4.86 105.19 106.07 3n99 n GLY 104 Ca -0.03 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 3n99 n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n99 s LYS 105 N -1.43 0.96 -0.14 1.61 -2.85 -1.26 -0.77 119.74 115.86 3n99 s LYS 105 Ca 0.00 -0.18 -0.02 0.00 -1.00 0.00 0.00 55.97 54.76 3n99 s LYS 105 Cb 0.00 0.44 0.05 0.00 -2.06 0.00 0.00 37.83 36.25 3n99 s LYS 105 CO 0.00 -0.33 0.03 -1.58 0.10 0.00 0.00 175.35 173.57 3n99 s HIS 106 N -2.11 0.74 0.67 1.78 2.46 0.35 -4.09 115.29 115.09 3n99 s HIS 106 Ca -0.07 -0.47 -0.11 0.00 0.47 0.00 0.00 55.06 54.88 3n99 s HIS 106 Cb -0.01 -0.87 -0.01 0.00 -0.13 0.00 0.00 32.58 31.55 3n99 s HIS 106 CO 0.01 -0.47 1.06 0.20 -2.47 0.00 0.00 174.74 173.06 3n99 s GLY 107 N 1.95 1.65 0.00 1.59 0.00 -1.26 -1.54 107.32 109.71 3n99 s GLY 107 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.62 3n99 s GLY 107 CO -0.07 0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.84 3n99 n GLY 108 N -2.60 1.18 0.30 0.20 0.00 -1.26 -4.34 105.19 98.66 3n99 n GLY 108 Ca 0.07 -0.68 0.16 0.00 0.00 0.00 0.00 46.02 45.57 3n99 n GLY 108 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3n99 h VAL 109 N 0.00 0.39 -5.20 1.61 -1.51 -2.04 -3.47 116.25 106.02 3n99 h VAL 109 Ca 0.00 -0.20 -0.05 0.00 -1.23 0.00 0.00 66.70 65.23 3n99 h VAL 109 Cb 0.00 1.14 0.04 0.00 -2.13 0.00 0.00 31.29 30.33 3n99 h VAL 109 CO 0.00 0.04 -0.16 0.59 -1.23 0.00 0.00 177.57 176.81 3n99 n ASN 110 N -3.56 -7.16 -4.50 4.19 3.02 -0.88 -4.95 115.26 101.43 3n99 n ASN 110 Ca -0.02 -0.18 -0.32 0.00 -0.03 0.00 0.00 54.58 54.03 3n99 n ASN 110 Cb 0.14 -4.96 -0.12 0.00 -0.61 0.00 0.00 39.78 34.22 3n99 n ASN 110 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3n99 s HIS 111 N -3.07 2.69 -0.12 3.10 3.76 -0.59 -4.44 115.29 116.63 3n99 s HIS 111 Ca 0.08 -0.17 -0.05 0.00 -0.15 0.00 0.00 55.06 54.77 3n99 s HIS 111 Cb -0.01 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 3n99 s HIS 111 CO 0.69 0.25 0.08 0.08 -0.85 0.00 0.00 174.74 174.99 3n99 s VAL 112 N -0.86 4.96 -0.09 -0.90 1.01 -0.14 -0.49 120.40 123.89 3n99 s VAL 112 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3n99 s VAL 112 Cb -0.11 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 3n99 s VAL 112 CO 0.04 0.59 -0.08 -0.76 0.00 0.00 0.00 175.10 174.89 3n99 s LEU 113 N -0.78 3.08 -0.02 3.92 1.43 0.05 -0.51 118.68 125.85 3n99 s LEU 113 Ca 0.13 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3n99 s LEU 113 Cb -0.12 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.42 3n99 s LEU 113 CO 0.03 0.29 -0.05 -0.69 0.23 0.00 0.00 176.35 176.16 3n99 s VAL 114 N -0.39 0.47 -0.24 -1.59 1.01 0.07 -0.59 120.40 119.14 3n99 s VAL 114 Ca 0.05 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 3n99 s VAL 114 Cb -0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3n99 s VAL 114 CO 0.02 0.16 0.30 -2.28 0.00 0.00 0.00 175.10 173.30 3n99 s HIS 115 N 0.19 3.31 0.28 5.22 2.46 -0.16 -1.39 115.29 125.20 3n99 s HIS 115 Ca -0.02 0.40 0.10 0.00 0.47 0.00 0.00 55.06 56.00 3n99 s HIS 115 Cb -0.06 -2.45 -0.04 0.00 -0.13 0.00 0.00 32.58 29.89 3n99 s HIS 115 CO -0.00 -0.07 -0.00 -0.06 -2.47 0.00 0.00 174.74 172.14 3n99 s PHE 116 N 1.51 2.65 0.68 3.88 0.08 -1.26 -2.02 117.98 123.50 3n99 s PHE 116 Ca 0.13 -0.27 -0.16 0.00 0.12 0.00 0.00 56.93 56.76 3n99 s PHE 116 Cb -0.15 -1.25 0.01 0.00 -0.57 0.00 0.00 43.02 41.06 3n99 s PHE 116 CO 0.08 0.59 1.18 -1.21 -0.10 0.00 0.00 175.22 175.75 3n99 s GLU 117 N -3.68 2.52 0.40 0.44 2.02 -1.26 -4.92 118.70 114.22 3n99 s GLU 117 Ca 0.32 1.67 0.07 0.00 0.02 0.00 0.00 54.97 57.05 3n99 s GLU 117 Cb -0.05 -1.89 0.83 0.00 0.10 0.00 0.00 34.13 33.12 3n99 s GLU 117 CO 0.20 -1.52 2.04 1.49 0.02 0.00 0.00 175.26 177.48 3n99 h GLU 118 N 0.07 0.53 -0.44 1.61 4.81 -2.01 -1.55 114.58 117.60 3n99 h GLU 118 Ca -0.48 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3n99 h GLU 118 Cb 1.28 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3n99 h GLU 118 CO 0.52 0.38 0.21 0.93 -0.73 0.00 0.00 179.01 180.32 3n99 h GLU 119 N 0.54 0.61 -0.11 1.92 3.07 -2.04 -2.69 114.58 115.88 3n99 h GLU 119 Ca 0.14 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 3n99 h GLU 119 Cb -0.01 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 3n99 h GLU 119 CO -0.03 0.48 -0.27 0.28 -1.40 0.00 0.00 179.01 178.07 3n99 h VAL 120 N 0.61 1.24 -0.59 3.13 2.07 -1.64 -3.33 116.25 117.74 3n99 h VAL 120 Ca 0.16 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3n99 h VAL 120 Cb 0.07 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3n99 h VAL 120 CO -0.02 0.34 0.24 -0.07 0.02 0.00 0.00 177.57 178.08 3n99 h LEU 121 N 0.19 0.81 -1.38 2.57 3.38 -1.54 -1.10 115.31 118.24 3n99 h LEU 121 Ca 0.03 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3n99 h LEU 121 Cb 0.59 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3n99 h LEU 121 CO 0.04 0.76 0.00 1.23 0.09 0.00 0.00 178.44 180.56 3n99 h GLY 122 N 0.82 0.00 0.28 0.83 0.00 -1.72 -2.51 103.07 100.77 3n99 h GLY 122 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3n99 h GLY 122 CO -0.02 0.00 -1.09 0.28 0.00 0.00 0.00 176.54 175.71 3n99 n LYS 123 N -2.35 0.18 -2.04 4.80 5.02 -0.43 -4.99 118.16 118.35 3n99 n LYS 123 Ca -0.01 -0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 55.93 3n99 n LYS 123 Cb 0.10 -1.53 0.01 0.00 -0.02 0.00 0.00 35.03 33.58 3n99 n LYS 123 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3n99 s LEU 124 N -3.49 3.46 0.01 -0.35 1.43 -0.95 -4.22 118.68 114.58 3n99 s LEU 124 Ca 0.05 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.87 3n99 s LEU 124 Cb 0.15 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.85 3n99 s LEU 124 CO 0.84 -1.07 -0.03 -0.32 0.23 0.00 0.00 176.35 176.00 3n99 s MET 125 N -4.27 0.21 0.26 1.70 -2.45 -1.26 -5.06 119.30 108.43 3n99 s MET 125 Ca 0.61 -0.26 -0.31 0.00 -1.25 0.00 0.00 55.69 54.48 3n99 s MET 125 Cb -0.14 -0.08 -0.12 0.00 1.25 0.00 0.00 34.83 35.74 3n99 s MET 125 CO 0.39 0.01 1.59 0.28 1.05 0.00 0.00 175.02 178.34 3n99 n VAL 126 N 2.52 0.77 0.00 10.11 0.31 -1.26 -1.68 118.33 129.11 3n99 n VAL 126 Ca -0.16 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3n99 n VAL 126 Cb 0.58 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 3n99 n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3n99 n GLY 127 N 2.55 1.72 3.76 2.92 0.00 -0.35 -4.94 105.19 110.86 3n99 n GLY 127 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3n99 n GLY 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3n99 s ASP 128 N -1.54 5.87 0.21 1.61 1.01 -0.67 -4.51 116.67 118.65 3n99 s ASP 128 Ca 0.00 2.83 -0.30 0.00 0.71 0.00 0.00 52.55 55.79 3n99 s ASP 128 Cb 0.00 -2.65 -0.08 0.00 1.01 0.00 0.00 42.92 41.20 3n99 s ASP 128 CO 0.00 -1.17 1.04 -0.54 0.21 0.00 0.00 175.17 174.71 3n99 s LYS 129 N -2.49 4.69 -0.07 8.23 1.02 -1.26 -1.04 119.74 128.82 3n99 s LYS 129 Ca 0.62 1.64 0.03 0.00 0.02 0.00 0.00 55.97 58.28 3n99 s LYS 129 Cb -0.42 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.64 3n99 s LYS 129 CO 0.53 0.26 -0.14 0.42 -0.92 0.00 0.00 175.35 175.49 3n99 s ILE 130 N -0.72 1.30 -0.24 2.17 -1.09 0.19 -0.95 121.20 121.86 3n99 s ILE 130 Ca 0.45 -0.57 -0.04 0.00 -2.23 0.00 0.00 60.65 58.26 3n99 s ILE 130 Cb -0.28 -1.17 -0.00 0.00 -1.58 0.00 0.00 42.46 39.42 3n99 s ILE 130 CO 0.35 0.39 -0.02 -0.22 -1.23 0.00 0.00 174.94 174.22 3n99 s LEU 131 N 0.62 3.13 -0.25 2.97 2.96 0.00 -1.54 118.68 126.58 3n99 s LEU 131 Ca -0.15 -0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 53.17 3n99 s LEU 131 Cb -0.16 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3n99 s LEU 131 CO 0.04 -0.06 0.10 -0.63 -1.32 0.00 0.00 176.35 174.48 3n99 s ILE 132 N 1.47 4.68 -1.08 6.68 1.01 0.61 0.14 121.20 134.71 3n99 s ILE 132 Ca 0.04 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 3n99 s ILE 132 Cb -0.15 -3.19 0.08 0.00 0.01 0.00 0.00 42.46 39.21 3n99 s ILE 132 CO -0.02 0.34 1.44 -0.54 0.00 0.00 0.00 174.94 176.16 3n99 s LYS 133 N 1.42 3.72 0.12 2.79 1.02 -0.45 -0.54 119.74 127.82 3n99 s LYS 133 Ca 0.06 -1.56 -0.30 0.00 0.02 0.00 0.00 55.97 54.19 3n99 s LYS 133 Cb -0.15 -5.28 -0.07 0.00 -0.52 0.00 0.00 37.83 31.81 3n99 s LYS 133 CO 0.05 -2.10 1.24 0.00 -0.92 0.00 0.00 175.35 173.62 3n99 s ALA 134 N 4.07 3.45 -0.30 5.17 0.00 0.24 -4.31 121.76 130.08 3n99 s ALA 134 Ca 0.45 0.94 -0.13 0.00 0.00 0.00 0.00 51.96 53.22 3n99 s ALA 134 Cb -0.00 -3.45 0.14 0.00 0.00 0.00 0.00 23.12 19.81 3n99 s ALA 134 CO -0.05 -0.45 0.81 -0.46 0.00 0.00 0.00 175.76 175.61 3n99 s TRP 135 N 0.63 -1.00 0.00 0.00 -0.00 -1.26 -1.65 118.94 115.66 3n99 s TRP 135 Ca 0.58 1.77 0.00 0.00 -0.00 0.00 0.00 56.10 58.44 3n99 s TRP 135 Cb -0.32 0.60 0.00 0.00 -0.00 0.00 0.00 33.47 33.75 3n99 s TRP 135 CO 0.32 -0.50 0.00 0.41 -0.00 0.00 0.00 176.95 177.19 3n99 n GLY 136 N 5.07 2.03 3.76 5.86 0.00 -1.26 -4.17 105.19 116.48 3n99 n GLY 136 Ca -0.12 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 3n99 n GLY 136 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n99 s GLN 137 N 0.00 4.56 0.00 1.61 -1.52 -1.26 -2.02 119.66 121.03 3n99 s GLN 137 Ca 0.00 1.89 0.00 0.00 -1.95 0.00 0.00 55.36 55.30 3n99 s GLN 137 Cb 0.00 -3.18 0.00 0.00 -0.22 0.00 0.00 33.01 29.61 3n99 s GLN 137 CO 0.00 0.07 0.00 0.41 -0.25 0.00 0.00 175.29 175.52 3n99 n GLY 138 N 1.38 0.35 3.76 3.09 0.00 -1.26 -4.74 105.19 107.76 3n99 n GLY 138 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3n99 n GLY 138 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3n99 s LEU 139 N 0.00 4.35 -0.00 0.99 2.96 -0.85 -4.96 118.68 121.16 3n99 s LEU 139 Ca 0.00 2.93 0.03 0.00 -0.22 0.00 0.00 54.13 56.88 3n99 s LEU 139 Cb 0.00 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 3n99 s LEU 139 CO 0.00 -0.85 -0.11 -0.54 -1.32 0.00 0.00 176.35 173.53 3n99 s LYS 140 N -1.06 0.88 -0.53 1.98 1.02 -1.26 -4.42 119.74 116.35 3n99 s LYS 140 Ca 0.59 -0.43 -0.26 0.00 0.02 0.00 0.00 55.97 55.89 3n99 s LYS 140 Cb -0.46 -0.85 0.03 0.00 -0.52 0.00 0.00 37.83 36.03 3n99 s LYS 140 CO 0.52 0.23 1.01 -0.51 -0.92 0.00 0.00 175.35 175.69 3n99 s LEU 141 N -0.36 3.88 0.38 3.17 1.43 -1.26 -3.08 118.68 122.83 3n99 s LEU 141 Ca 0.04 -0.04 0.17 0.00 -1.03 0.00 0.00 54.13 53.26 3n99 s LEU 141 Cb -0.05 -3.07 0.73 0.00 0.03 0.00 0.00 46.19 43.84 3n99 s LEU 141 CO -0.00 -1.24 1.78 -0.07 0.23 0.00 0.00 176.35 177.05 3n99 h LEU 142 N 11.11 0.00 -1.16 1.79 3.38 -1.51 -2.13 115.31 126.80 3n99 h LEU 142 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3n99 h LEU 142 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3n99 h LEU 142 CO 1.10 0.38 -0.00 0.47 0.09 0.00 0.00 178.44 180.48 3n99 n ASP 143 N -3.75 1.80 -3.22 -0.43 8.00 -1.26 -4.46 116.55 113.23 3n99 n ASP 143 Ca -0.01 -1.60 -0.24 0.00 0.71 0.00 0.00 54.79 53.65 3n99 n ASP 143 Cb 0.46 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 3n99 n ASP 143 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3n99 n HIS 144 N 0.41 0.41 0.26 1.24 8.25 -0.81 -4.98 115.22 120.01 3n99 n HIS 144 Ca 0.18 -3.69 0.17 0.00 -0.26 0.00 0.00 57.72 54.13 3n99 n HIS 144 Cb 0.40 -0.39 0.92 0.00 1.12 0.00 0.00 29.99 32.04 3n99 n HIS 144 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3n99 h PRO 145 N 3.93 0.00 -0.41 -0.41 0.13 -1.77 -1.90 132.00 131.57 3n99 h PRO 145 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3n99 h PRO 145 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3n99 h PRO 145 CO 0.53 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.05 3n99 n ASP 146 N -3.60 2.78 -4.38 1.44 8.00 -1.26 -4.73 116.55 114.79 3n99 n ASP 146 Ca -0.01 -1.93 -0.38 0.00 0.71 0.00 0.00 54.79 53.18 3n99 n ASP 146 Cb 0.23 -0.27 -0.12 0.00 -0.02 0.00 0.00 41.12 40.94 3n99 n ASP 146 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3n99 s VAL 147 N -1.46 4.29 -0.02 2.53 1.01 -0.71 -4.58 120.40 121.46 3n99 s VAL 147 Ca 0.36 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 3n99 s VAL 147 Cb 0.20 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 3n99 s VAL 147 CO 0.27 -0.01 0.45 -0.54 0.00 0.00 0.00 175.10 175.27 3n99 s LYS 148 N 1.54 4.08 0.19 2.72 -0.14 -0.49 -4.54 119.74 123.11 3n99 s LYS 148 Ca 0.03 0.46 0.10 0.00 -1.36 0.00 0.00 55.97 55.21 3n99 s LYS 148 Cb -0.18 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 3n99 s LYS 148 CO 0.05 0.53 -0.18 0.14 -0.76 0.00 0.00 175.35 175.13 3n99 s VAL 149 N -0.59 2.71 0.06 3.17 -7.23 -1.26 -0.78 120.40 116.47 3n99 s VAL 149 Ca 0.25 -1.90 -0.28 0.00 -1.81 0.00 0.00 61.98 58.24 3n99 s VAL 149 Cb -0.17 -2.33 0.09 0.00 0.56 0.00 0.00 36.38 34.53 3n99 s VAL 149 CO 0.13 -0.13 0.99 0.00 -0.31 0.00 0.00 175.10 175.78 3n99 s MET 150 N -2.80 0.92 -1.70 4.82 0.23 -0.66 -4.71 119.30 115.40 3n99 s MET 150 Ca 0.23 -0.45 0.00 0.00 -1.03 0.00 0.00 55.69 54.44 3n99 s MET 150 Cb -0.08 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.57 3n99 s MET 150 CO 0.12 -0.41 0.00 0.09 -2.03 0.00 0.00 175.02 172.79 3n99 n ASN 151 N -0.37 -5.52 -3.88 -1.18 3.02 -1.26 -4.23 115.26 101.83 3n99 n ASN 151 Ca -0.07 0.40 -0.17 0.00 -0.03 0.00 0.00 54.58 54.71 3n99 n ASN 151 Cb 0.61 -4.49 -0.16 0.00 -0.61 0.00 0.00 39.78 35.14 3n99 n ASN 151 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3n99 s ILE 152 N -2.35 0.32 0.10 2.41 2.07 -1.26 -1.09 121.20 121.40 3n99 s ILE 152 Ca 0.00 -0.06 -0.31 0.00 -1.41 0.00 0.00 60.65 58.87 3n99 s ILE 152 Cb 0.00 -0.35 -0.11 0.00 0.13 0.00 0.00 42.46 42.14 3n99 s ILE 152 CO 0.00 0.15 1.85 -0.67 -1.91 0.00 0.00 174.94 174.35 3n99 n ASP 153 N 3.72 3.99 -0.02 4.50 -0.08 -0.07 -4.57 116.55 124.02 3n99 n ASP 153 Ca -0.22 0.98 0.08 0.00 -1.51 0.00 0.00 54.79 54.12 3n99 n ASP 153 Cb 0.53 -1.53 0.48 0.00 2.34 0.00 0.00 41.12 42.94 3n99 n ASP 153 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3n99 h PRO 154 N 8.70 0.42 -0.45 -0.67 0.11 -1.90 0.53 132.00 138.74 3n99 h PRO 154 Ca -0.47 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3n99 h PRO 154 Cb 1.23 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3n99 h PRO 154 CO 0.94 0.28 -0.15 -0.44 -0.21 0.00 0.00 178.00 178.42 3n99 h ASP 155 N 0.43 0.85 0.00 -2.05 3.32 -1.96 -2.83 116.42 114.19 3n99 h ASP 155 Ca 0.20 -0.28 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 3n99 h ASP 155 Cb 0.25 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3n99 h ASP 155 CO -0.05 1.00 -0.42 0.25 -1.72 0.00 0.00 179.24 178.30 3n99 h LEU 156 N 0.75 0.55 -1.12 1.55 5.85 -1.41 -3.15 115.31 118.33 3n99 h LEU 156 Ca 0.12 -0.25 0.11 0.00 0.84 0.00 0.00 57.88 58.70 3n99 h LEU 156 Cb 0.67 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 3n99 h LEU 156 CO 0.05 0.90 0.60 0.15 -0.34 0.00 0.00 178.44 179.80 3n99 h PHE 157 N 0.42 1.04 0.00 1.25 3.57 -0.74 -0.66 116.94 121.83 3n99 h PHE 157 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3n99 h PHE 157 Cb 0.91 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3n99 h PHE 157 CO 0.03 0.45 0.00 0.39 -2.23 0.00 0.00 178.31 176.96 3n99 n GLU 158 N -4.56 0.20 -0.09 1.11 1.02 -1.12 -3.08 120.64 114.12 3n99 n GLU 158 Ca 0.17 0.41 0.11 0.00 -0.02 0.00 0.00 57.16 57.83 3n99 n GLU 158 Cb 0.33 -1.88 0.15 0.00 -0.02 0.00 0.00 31.44 30.02 3n99 n GLU 158 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3n99 n LYS 159 N -2.26 2.30 -0.06 3.49 5.02 -0.26 -4.50 118.16 121.90 3n99 n LYS 159 Ca 0.02 -2.05 0.09 0.00 -2.02 0.00 0.00 58.31 54.35 3n99 n LYS 159 Cb 0.24 -1.46 0.39 0.00 -0.02 0.00 0.00 35.03 34.18 3n99 n LYS 159 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3n99 n LEU 160 N 1.35 0.97 -0.39 -0.35 4.77 -1.18 -4.89 117.00 117.28 3n99 n LEU 160 Ca 0.16 -0.42 -0.05 0.00 -0.03 0.00 0.00 56.01 55.67 3n99 n LEU 160 Cb 0.58 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3n99 n LEU 160 CO 0.15 0.21 -0.05 0.61 -1.33 0.00 0.00 177.39 176.98 3n99 n GLY 161 N 0.96 0.77 3.73 -0.72 0.00 -1.26 -4.70 105.19 103.96 3n99 n GLY 161 Ca 0.14 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 3n99 n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n99 s ILE 162 N -2.12 3.80 -0.09 -0.61 1.01 -1.26 -4.53 121.20 117.40 3n99 s ILE 162 Ca 0.00 1.49 0.02 0.00 0.00 0.00 0.00 60.65 62.16 3n99 s ILE 162 Cb 0.00 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.53 3n99 s ILE 162 CO 0.00 0.22 -0.16 -1.10 0.00 0.00 0.00 174.94 173.90 3n99 s GLN 163 N -0.04 2.22 -0.11 2.79 -0.21 -0.55 -4.97 119.66 118.78 3n99 s GLN 163 Ca 0.52 -0.58 -0.23 0.00 0.02 0.00 0.00 55.36 55.09 3n99 s GLN 163 Cb -0.30 -1.80 -0.03 0.00 1.00 0.00 0.00 33.01 31.88 3n99 s GLN 163 CO 0.34 0.03 0.70 -2.00 -2.12 0.00 0.00 175.29 172.24 3n99 s GLU 164 N 0.70 4.36 -0.15 2.91 2.12 -1.26 -0.53 118.70 126.85 3n99 s GLU 164 Ca -0.13 0.82 -0.06 0.00 0.36 0.00 0.00 54.97 55.97 3n99 s GLU 164 Cb -0.16 -3.50 0.07 0.00 0.26 0.00 0.00 34.13 30.81 3n99 s GLU 164 CO 0.03 -0.06 0.32 0.21 -0.54 0.00 0.00 175.26 175.22 3n99 s LYS 165 N 1.25 0.21 -1.40 4.30 2.20 -0.20 -4.89 119.74 121.21 3n99 s LYS 165 Ca 0.35 0.84 -0.07 0.00 -0.36 0.00 0.00 55.97 56.73 3n99 s LYS 165 Cb -0.17 0.08 0.04 0.00 -1.51 0.00 0.00 37.83 36.27 3n99 s LYS 165 CO 0.15 -0.27 0.89 0.09 -0.36 0.00 0.00 175.35 175.86 3n99 n ASN 166 N 5.30 -3.33 0.00 1.43 3.02 -1.26 -1.57 115.26 118.85 3n99 n ASN 166 Ca -0.08 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 3n99 n ASN 166 Cb 0.50 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 3n99 n ASN 166 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n99 n GLY 167 N -1.65 0.45 3.44 7.41 0.00 -1.26 -5.02 105.19 108.56 3n99 n GLY 167 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3n99 n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n99 s LYS 168 N -0.55 2.17 -0.35 1.61 1.02 -0.61 -4.93 119.74 118.10 3n99 s LYS 168 Ca 0.00 -0.91 -0.13 0.00 0.02 0.00 0.00 55.97 54.95 3n99 s LYS 168 Cb 0.00 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 35.09 3n99 s LYS 168 CO 0.00 0.56 0.25 0.42 -0.92 0.00 0.00 175.35 175.66 3n99 s ILE 169 N -0.83 5.27 -0.20 2.17 -1.09 0.43 -1.03 121.20 125.92 3n99 s ILE 169 Ca 0.13 -0.27 -0.15 0.00 -2.23 0.00 0.00 60.65 58.13 3n99 s ILE 169 Cb -0.10 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 3n99 s ILE 169 CO 0.03 -0.04 0.36 -1.00 -1.23 0.00 0.00 174.94 173.06 3n99 s HIS 170 N 1.72 3.38 -0.13 3.97 3.76 0.31 0.06 115.29 128.36 3n99 s HIS 170 Ca 0.06 0.58 -0.00 0.00 -0.15 0.00 0.00 55.06 55.55 3n99 s HIS 170 Cb -0.18 -2.48 0.03 0.00 1.11 0.00 0.00 32.58 31.06 3n99 s HIS 170 CO 0.10 0.03 -0.09 0.08 -0.85 0.00 0.00 174.74 174.01 3n99 s VAL 171 N 1.16 1.20 0.12 -0.90 1.01 -0.52 -1.48 120.40 121.00 3n99 s VAL 171 Ca 0.18 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 3n99 s VAL 171 Cb -0.14 -1.20 -0.07 0.00 0.00 0.00 0.00 36.38 34.96 3n99 s VAL 171 CO 0.07 0.37 1.29 -2.84 0.00 0.00 0.00 175.10 173.99 3n99 s PRO 172 N 1.63 4.39 0.04 2.72 0.02 -1.26 -0.40 135.00 142.14 3n99 s PRO 172 Ca 0.04 1.95 0.01 0.00 0.02 0.00 0.00 61.00 63.03 3n99 s PRO 172 Cb -0.13 -3.27 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 3n99 s PRO 172 CO -0.09 -0.31 -0.05 0.14 -0.33 0.00 0.00 177.00 176.36 3n99 s VAL 173 N 0.77 0.38 -0.74 3.83 -7.23 -0.19 -4.84 120.40 112.37 3n99 s VAL 173 Ca 0.60 -1.24 0.24 0.00 -1.81 0.00 0.00 61.98 59.77 3n99 s VAL 173 Cb -0.34 -0.77 0.02 0.00 0.56 0.00 0.00 36.38 35.86 3n99 s VAL 173 CO 0.32 -0.57 1.33 1.33 -0.31 0.00 0.00 175.10 177.20 3n99 n VAL 174 N 1.12 0.24 -3.50 1.32 0.24 -0.11 -0.83 118.33 116.80 3n99 n VAL 174 Ca -0.21 -0.20 -0.16 0.00 -2.04 0.00 0.00 64.34 61.74 3n99 n VAL 174 Cb 0.56 -0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.88 3n99 n VAL 174 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3n99 s ALA 175 N -3.12 -1.74 -0.24 2.33 0.00 -1.26 -4.75 121.76 112.97 3n99 s ALA 175 Ca 0.07 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.18 3n99 s ALA 175 Cb 0.15 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.48 3n99 s ALA 175 CO 0.72 -0.47 -0.10 0.15 0.00 0.00 0.00 175.76 176.06 3n99 s LYS 176 N -1.84 2.57 -0.26 0.00 1.02 -1.26 -1.48 119.74 118.50 3n99 s LYS 176 Ca -0.07 -1.14 -0.10 0.00 0.02 0.00 0.00 55.97 54.68 3n99 s LYS 176 Cb -0.00 -2.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 3n99 s LYS 176 CO 0.04 -0.46 0.16 0.42 -0.92 0.00 0.00 175.35 174.59 3n99 s ILE 177 N 1.21 5.25 0.69 2.17 1.01 0.16 -4.94 121.20 126.75 3n99 s ILE 177 Ca -0.03 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.60 3n99 s ILE 177 Cb -0.18 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.84 3n99 s ILE 177 CO -0.06 0.31 1.21 -2.84 0.00 0.00 0.00 174.94 173.55 3n99 s PRO 178 N 1.38 2.41 0.27 2.79 0.02 -1.26 -0.79 135.00 139.82 3n99 s PRO 178 Ca 0.07 1.77 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3n99 s PRO 178 Cb -0.15 -1.86 0.62 0.00 0.02 0.00 0.00 34.50 33.13 3n99 s PRO 178 CO 0.07 -1.63 1.68 0.00 -0.33 0.00 0.00 177.00 176.80 3n99 h ALA 179 N 0.06 1.22 0.00 -1.55 0.00 -1.84 -1.44 119.26 115.72 3n99 h ALA 179 Ca -0.48 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3n99 h ALA 179 Cb 1.30 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3n99 h ALA 179 CO 0.52 -0.36 0.00 -2.39 0.00 0.00 0.00 179.25 177.01 3n99 n HIS 180 N -5.12 0.05 1.42 0.00 1.44 -1.26 -1.24 115.22 110.51 3n99 n HIS 180 Ca 0.19 0.02 0.13 0.00 -2.01 0.00 0.00 57.72 56.05 3n99 n HIS 180 Cb 0.58 -0.53 0.48 0.00 0.12 0.00 0.00 29.99 30.64 3n99 n HIS 180 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3n99 n MET 181 N -1.55 1.70 -3.62 -1.40 2.00 -0.54 -4.87 117.12 108.84 3n99 n MET 181 Ca 0.04 -1.03 -0.38 0.00 0.00 0.00 0.00 57.70 56.34 3n99 n MET 181 Cb 0.20 -1.46 -0.06 0.00 0.00 0.00 0.00 33.22 31.90 3n99 n MET 181 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 3n99 s MET 182 N -1.95 3.76 0.00 0.03 -1.94 -0.37 -0.01 119.30 118.82 3n99 s MET 182 Ca 0.37 0.23 0.00 0.00 -1.71 0.00 0.00 55.69 54.58 3n99 s MET 182 Cb 0.20 -3.21 0.00 0.00 2.01 0.00 0.00 34.83 33.83 3n99 s MET 182 CO 0.32 0.72 0.00 0.41 -0.01 0.00 0.00 175.02 176.46 3n99 n GLY 183 N 1.86 3.11 3.59 -0.03 0.00 0.07 -4.84 105.19 108.94 3n99 n GLY 183 Ca -0.16 -0.36 -0.54 0.00 0.00 0.00 0.00 46.02 44.96 3n99 n GLY 183 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3n99 n SER 184 N 0.00 1.42 0.00 1.61 2.88 -0.29 -1.66 113.62 117.58 3n99 n SER 184 Ca 0.00 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 3n99 n SER 184 Cb 0.00 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 3n99 n SER 184 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3n99 n GLY 185 N 2.51 2.60 3.62 0.46 0.00 -1.26 -1.14 105.19 111.98 3n99 n GLY 185 Ca 0.20 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.72 3n99 n GLY 185 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3n99 n ILE 186 N -0.76 0.11 0.00 -0.61 5.41 -0.66 -1.63 119.36 121.21 3n99 n ILE 186 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3n99 n ILE 186 Cb 0.00 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 37.82 3n99 n ILE 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3n99 n GLY 187 N 2.79 0.13 3.64 7.39 0.00 -0.56 -5.02 105.19 113.57 3n99 n GLY 187 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3n99 n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n99 n ALA 188 N -1.97 0.49 0.09 4.61 0.00 -0.65 -4.76 120.51 118.32 3n99 n ALA 188 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.55 3n99 n ALA 188 Cb 0.00 -2.16 0.39 0.00 0.00 0.00 0.00 19.45 17.69 3n99 n ALA 188 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3n99 h SER 189 N 0.96 0.30 -3.24 0.00 0.02 -1.91 -2.32 113.55 107.35 3n99 h SER 189 Ca -0.48 -0.05 -0.25 0.00 -0.84 0.00 0.00 61.79 60.17 3n99 h SER 189 Cb 1.34 -0.08 -0.33 0.00 0.14 0.00 0.00 62.40 63.48 3n99 h SER 189 CO 0.54 0.39 -0.59 -0.55 -1.14 0.00 0.00 176.83 175.48 3n99 s SER 190 N -6.84 0.21 0.01 3.07 0.15 -1.26 -3.48 113.70 105.57 3n99 s SER 190 Ca -0.06 0.37 0.08 0.00 0.70 0.00 0.00 55.95 57.04 3n99 s SER 190 Cb 0.16 0.30 0.35 0.00 -1.71 0.00 0.00 66.02 65.12 3n99 s SER 190 CO 0.73 -0.19 1.26 -1.54 1.20 0.00 0.00 173.24 174.70 3n99 n SER 191 N 4.71 0.02 0.00 5.45 3.41 -0.57 -1.46 113.62 125.18 3n99 n SER 191 Ca -0.17 0.51 0.14 0.00 -0.26 0.00 0.00 58.87 59.08 3n99 n SER 191 Cb 0.51 -0.51 0.60 0.00 -0.26 0.00 0.00 64.21 64.55 3n99 n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n99 n ALA 192 N -1.51 2.29 -0.43 7.33 0.00 -1.26 -4.22 120.51 122.71 3n99 n ALA 192 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3n99 n ALA 192 Cb 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3n99 n ALA 192 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3n99 n SER 193 N -1.50 1.24 -3.48 0.00 3.41 -0.53 -4.05 113.62 108.71 3n99 n SER 193 Ca 0.07 -1.66 -0.11 0.00 -0.26 0.00 0.00 58.87 56.90 3n99 n SER 193 Cb 0.33 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 3n99 n SER 193 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3n99 s THR 194 N -0.67 0.00 0.55 6.66 -1.32 -1.24 -4.61 115.64 115.02 3n99 s THR 194 Ca 0.01 -0.13 0.02 0.00 -1.21 0.00 0.00 61.69 60.38 3n99 s THR 194 Cb 0.01 -1.13 0.04 0.00 -1.51 0.00 0.00 72.50 69.91 3n99 s THR 194 CO 0.00 0.00 0.77 1.51 -2.21 0.00 0.00 174.62 174.69 3n99 s ASP 195 N -2.77 5.23 0.18 8.08 -4.77 -1.26 -4.65 116.67 116.71 3n99 s ASP 195 Ca 0.02 -0.15 -0.04 0.00 -3.30 0.00 0.00 52.55 49.09 3n99 s ASP 195 Cb -0.02 -0.70 -0.03 0.00 -1.09 0.00 0.00 42.92 41.08 3n99 s ASP 195 CO -0.10 -1.17 0.18 -0.72 0.70 0.00 0.00 175.17 174.06 3n99 s TYR 196 N -2.74 0.86 -0.15 2.11 1.13 -0.25 -4.68 117.35 113.64 3n99 s TYR 196 Ca 0.58 -1.16 -0.06 0.00 -1.41 0.00 0.00 57.07 55.02 3n99 s TYR 196 Cb -0.10 -0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 40.36 3n99 s TYR 196 CO 0.38 -0.67 0.07 -0.51 -2.51 0.00 0.00 175.55 172.32 3n99 s ASP 197 N -3.08 5.75 -0.47 -0.18 1.11 -0.29 0.64 116.67 120.15 3n99 s ASP 197 Ca 0.29 0.20 -0.29 0.00 0.18 0.00 0.00 52.55 52.93 3n99 s ASP 197 Cb 0.06 -1.88 0.03 0.00 1.07 0.00 0.00 42.92 42.19 3n99 s ASP 197 CO 0.07 0.28 1.13 -0.63 1.18 0.00 0.00 175.17 177.20 3n99 s ILE 198 N -0.26 4.23 -0.75 0.77 1.01 0.03 -0.75 121.20 125.47 3n99 s ILE 198 Ca 0.08 1.25 -0.05 0.00 0.00 0.00 0.00 60.65 61.93 3n99 s ILE 198 Cb -0.12 -4.59 0.05 0.00 0.01 0.00 0.00 42.46 37.81 3n99 s ILE 198 CO 0.01 -0.98 2.71 1.15 0.00 0.00 0.00 174.94 177.84 3n99 n MET 199 N 7.78 3.15 -3.76 2.79 0.00 0.99 -2.76 117.12 125.31 3n99 n MET 199 Ca 0.12 -2.62 -0.36 0.00 0.00 0.00 0.00 57.70 54.84 3n99 n MET 199 Cb 0.49 -2.32 -0.10 0.00 0.00 0.00 0.00 33.22 31.29 3n99 n MET 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3n99 s ALA 200 N -1.21 3.48 0.20 3.17 0.00 -1.26 -4.88 121.76 121.26 3n99 s ALA 200 Ca 0.58 -0.90 0.15 0.00 0.00 0.00 0.00 51.96 51.80 3n99 s ALA 200 Cb 0.31 -2.19 0.53 0.00 0.00 0.00 0.00 23.12 21.77 3n99 s ALA 200 CO -0.16 -0.16 1.67 0.77 0.00 0.00 0.00 175.76 177.88 3n99 h SER 201 N 7.46 0.00 -4.44 0.00 0.02 -1.90 -3.45 113.55 111.24 3n99 h SER 201 Ca -0.38 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.27 3n99 h SER 201 Cb 1.17 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.47 3n99 h SER 201 CO 0.65 0.48 -0.75 0.20 -1.14 0.00 0.00 176.83 176.27 3n99 s ASN 202 N -6.60 0.87 0.45 3.07 0.01 -1.26 -5.02 114.94 106.46 3n99 s ASN 202 Ca -0.00 -0.40 0.11 0.00 -0.71 0.00 0.00 52.86 51.86 3n99 s ASN 202 Cb 0.12 -0.01 1.00 0.00 0.41 0.00 0.00 41.25 42.77 3n99 s ASN 202 CO 0.72 -0.09 2.06 1.55 -1.51 0.00 0.00 177.10 179.83 3n99 h PRO 203 N 5.02 0.25 0.00 -0.60 0.13 -1.86 -1.49 132.00 133.45 3n99 h PRO 203 Ca -0.34 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 3n99 h PRO 203 Cb 1.20 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3n99 h PRO 203 CO 0.44 0.22 -0.05 0.93 -0.23 0.00 0.00 178.00 179.31 3n99 h GLU 204 N 0.26 0.00 0.00 0.86 3.07 -1.78 0.23 114.58 117.22 3n99 h GLU 204 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3n99 h GLU 204 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3n99 h GLU 204 CO -0.01 0.05 0.00 -0.44 -1.40 0.00 0.00 179.01 177.21 3n99 h ASP 205 N 0.00 0.00 -0.54 1.42 3.32 -1.56 -1.72 116.42 117.34 3n99 h ASP 205 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n99 h ASP 205 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3n99 h ASP 205 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 3n99 n LEU 206 N -2.45 3.54 -1.10 1.55 4.77 0.80 -4.97 117.00 119.14 3n99 n LEU 206 Ca -0.00 -1.84 -0.11 0.00 -0.03 0.00 0.00 56.01 54.03 3n99 n LEU 206 Cb 0.14 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 3n99 n LEU 206 CO 0.16 0.85 -0.13 0.61 -1.33 0.00 0.00 177.39 177.56 3n99 n GLY 207 N 1.33 0.57 3.25 -0.72 0.00 -0.65 -4.83 105.19 104.13 3n99 n GLY 207 Ca 0.20 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 3n99 n GLY 207 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3n99 s VAL 208 N -2.50 1.06 -0.06 1.61 -7.23 -1.14 -5.00 120.40 107.14 3n99 s VAL 208 Ca 0.00 -2.04 0.13 0.00 -1.81 0.00 0.00 61.98 58.27 3n99 s VAL 208 Cb 0.00 -1.90 -0.10 0.00 0.56 0.00 0.00 36.38 34.94 3n99 s VAL 208 CO 0.00 -0.70 1.12 0.00 -0.31 0.00 0.00 175.10 175.21 3n99 h ALA 209 N 2.77 0.60 -2.76 1.32 0.00 -1.96 -2.67 119.26 116.55 3n99 h ALA 209 Ca -0.37 -0.82 -0.05 0.00 0.00 0.00 0.00 54.91 53.68 3n99 h ALA 209 Cb 1.19 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 3n99 h ALA 209 CO 0.64 0.99 -0.10 0.34 0.00 0.00 0.00 179.25 181.12 3n99 s ASP 210 N -6.28 -0.16 -0.06 0.00 2.15 -1.26 -4.79 116.67 106.28 3n99 s ASP 210 Ca 0.00 -0.53 -0.02 0.00 0.43 0.00 0.00 52.55 52.43 3n99 s ASP 210 Cb 0.09 0.50 0.04 0.00 -0.30 0.00 0.00 42.92 43.24 3n99 s ASP 210 CO 0.79 -0.94 0.11 -0.22 -0.17 0.00 0.00 175.17 174.75 3n99 s LEU 211 N -2.87 0.45 0.05 -1.34 2.96 -1.26 -5.00 118.68 111.66 3n99 s LEU 211 Ca 0.09 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3n99 s LEU 211 Cb 0.01 0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.84 3n99 s LEU 211 CO -0.06 -0.19 0.04 -0.54 -1.32 0.00 0.00 176.35 174.29 3n99 s LYS 212 N 1.66 2.81 0.17 1.98 1.02 -1.26 -0.69 119.74 125.43 3n99 s LYS 212 Ca -0.03 -0.67 -0.33 0.00 0.02 0.00 0.00 55.97 54.96 3n99 s LYS 212 Cb -0.12 -2.69 -0.13 0.00 -0.52 0.00 0.00 37.83 34.36 3n99 s LYS 212 CO -0.05 0.59 1.64 1.28 -0.92 0.00 0.00 175.35 177.89 3n99 n LEU 213 N 0.84 3.44 0.00 3.17 4.77 0.18 -0.86 117.00 128.54 3n99 n LEU 213 Ca -0.11 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 3n99 n LEU 213 Cb 0.52 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 3n99 n LEU 213 CO 0.39 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3n99 n GLY 214 N 3.66 0.90 3.77 -0.72 0.00 0.87 -0.87 105.19 112.79 3n99 n GLY 214 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3n99 n GLY 214 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3n99 s ASP 215 N -2.80 6.37 -0.16 1.61 1.01 -0.04 -1.60 116.67 121.05 3n99 s ASP 215 Ca 0.00 2.33 -0.17 0.00 0.71 0.00 0.00 52.55 55.42 3n99 s ASP 215 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3n99 s ASP 215 CO 0.00 -0.78 0.45 -0.63 0.21 0.00 0.00 175.17 174.42 3n99 s ILE 216 N -1.47 5.18 0.17 0.77 1.01 -0.35 -1.46 121.20 125.05 3n99 s ILE 216 Ca 0.60 0.85 0.07 0.00 0.00 0.00 0.00 60.65 62.16 3n99 s ILE 216 Cb -0.30 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3n99 s ILE 216 CO 0.37 0.28 -0.14 0.68 0.00 0.00 0.00 174.94 176.13 3n99 s VAL 217 N 1.04 1.50 -0.01 2.92 -7.23 0.01 -0.94 120.40 117.69 3n99 s VAL 217 Ca 0.23 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.36 3n99 s VAL 217 Cb -0.15 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 3n99 s VAL 217 CO 0.09 -0.57 0.10 0.00 -0.31 0.00 0.00 175.10 174.41 3n99 s ALA 218 N -2.78 3.66 -0.23 1.32 0.00 -0.55 -0.83 121.76 122.34 3n99 s ALA 218 Ca 0.17 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3n99 s ALA 218 Cb -0.01 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.49 3n99 s ALA 218 CO 0.04 0.69 -0.11 0.42 0.00 0.00 0.00 175.76 176.80 3n99 s ILE 219 N -1.20 2.44 0.17 0.00 1.01 0.11 -0.67 121.20 123.06 3n99 s ILE 219 Ca 0.23 -1.17 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 3n99 s ILE 219 Cb -0.12 -2.24 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 3n99 s ILE 219 CO 0.14 0.23 1.02 -1.10 0.00 0.00 0.00 174.94 175.23 3n99 s GLN 220 N 1.25 4.68 -1.25 2.79 -0.21 0.03 -1.82 119.66 125.14 3n99 s GLN 220 Ca -0.01 1.58 0.00 0.00 0.02 0.00 0.00 55.36 56.95 3n99 s GLN 220 Cb -0.17 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.53 3n99 s GLN 220 CO -0.07 0.21 0.00 -0.25 -2.12 0.00 0.00 175.29 173.06 3n99 n ASP 221 N 2.33 -4.34 -4.16 5.90 8.00 -0.16 -2.51 116.55 121.61 3n99 n ASP 221 Ca 0.02 0.08 -0.30 0.00 0.71 0.00 0.00 54.79 55.29 3n99 n ASP 221 Cb 0.47 -3.39 -0.17 0.00 -0.02 0.00 0.00 41.12 38.02 3n99 n ASP 221 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3n99 s HIS 222 N -2.64 2.31 -0.13 1.24 3.76 -1.25 -0.59 115.29 118.00 3n99 s HIS 222 Ca 0.00 -0.99 -0.10 0.00 -0.15 0.00 0.00 55.06 53.83 3n99 s HIS 222 Cb 0.00 -1.58 -0.05 0.00 1.11 0.00 0.00 32.58 32.07 3n99 s HIS 222 CO 0.00 -0.43 0.19 0.34 -0.85 0.00 0.00 174.74 173.99 3n99 s ASP 223 N 0.53 6.40 -0.25 1.40 2.15 0.17 -3.32 116.67 123.76 3n99 s ASP 223 Ca -0.15 0.47 0.16 0.00 0.43 0.00 0.00 52.55 53.45 3n99 s ASP 223 Cb -0.17 -2.11 0.48 0.00 -0.30 0.00 0.00 42.92 40.81 3n99 s ASP 223 CO 0.05 0.30 1.16 0.59 -0.17 0.00 0.00 175.17 177.10 3n99 n ASN 224 N 2.58 2.95 -0.03 -0.34 3.02 -1.26 -2.23 115.26 119.94 3n99 n ASN 224 Ca -0.17 -2.89 -0.15 0.00 -0.03 0.00 0.00 54.58 51.33 3n99 n ASN 224 Cb 0.53 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 3n99 n ASN 224 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3n99 h SER 225 N 2.17 0.90 0.00 6.41 0.02 -1.95 -3.43 113.55 117.67 3n99 h SER 225 Ca 0.08 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3n99 h SER 225 Cb 1.41 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3n99 h SER 225 CO 0.40 1.33 0.00 -1.22 -1.14 0.00 0.00 176.83 176.20 3n99 n TYR 226 N -3.95 0.00 -1.48 3.45 4.01 -1.26 -4.93 117.16 113.00 3n99 n TYR 226 Ca -0.06 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.38 3n99 n TYR 226 Cb 0.69 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.80 3n99 n TYR 226 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3n99 s GLY 227 N -1.07 1.65 0.05 2.72 0.00 -1.23 -1.51 107.32 107.94 3n99 s GLY 227 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 44.72 44.47 3n99 s GLY 227 CO 0.00 0.39 0.90 0.14 0.00 0.00 0.00 173.10 174.53 3n99 s VAL 228 N -3.04 4.70 0.00 1.40 1.01 -0.87 -4.46 120.40 119.14 3n99 s VAL 228 Ca 0.60 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.49 3n99 s VAL 228 Cb -0.15 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.98 3n99 s VAL 228 CO 0.55 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.54 3n99 n GLY 229 N 2.53 0.57 3.63 4.51 0.00 -1.23 -1.49 105.19 113.70 3n99 n GLY 229 Ca 0.02 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 3n99 n GLY 229 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n99 s LYS 230 N -3.92 3.73 0.13 1.61 2.47 -0.95 -4.83 119.74 117.98 3n99 s LYS 230 Ca 0.00 1.64 -0.31 0.00 -1.56 0.00 0.00 55.97 55.73 3n99 s LYS 230 Cb 0.00 -4.06 -0.09 0.00 -1.46 0.00 0.00 37.83 32.22 3n99 s LYS 230 CO 0.00 -1.37 1.56 -0.47 0.16 0.00 0.00 175.35 175.23 3n99 s TYR 231 N 5.42 2.91 -0.24 4.03 5.04 -1.26 -0.66 117.35 132.60 3n99 s TYR 231 Ca 0.73 0.60 -0.07 0.00 -2.44 0.00 0.00 57.07 55.89 3n99 s TYR 231 Cb -0.25 -3.89 0.11 0.00 0.35 0.00 0.00 41.96 38.28 3n99 s TYR 231 CO 0.30 -3.36 0.48 0.50 -1.34 0.00 0.00 175.55 172.13 3n99 s ARG 232 N 1.59 0.40 0.01 4.97 3.52 0.25 -4.91 118.95 124.79 3n99 s ARG 232 Ca 0.70 1.07 -0.32 0.00 -0.13 0.00 0.00 55.73 57.05 3n99 s ARG 232 Cb -0.41 0.37 -0.10 0.00 -1.56 0.00 0.00 34.95 33.25 3n99 s ARG 232 CO 0.31 -0.32 1.92 1.17 -0.81 0.00 0.00 175.30 177.57 3n99 n LYS 233 N 5.40 2.63 -0.14 5.12 3.00 -1.26 -1.29 118.16 131.62 3n99 n LYS 233 Ca -0.08 0.96 0.00 0.00 -0.00 0.00 0.00 58.31 59.19 3n99 n LYS 233 Cb 0.50 -2.87 0.00 0.00 0.00 0.00 0.00 35.03 32.65 3n99 n LYS 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3n99 n GLY 234 N 4.44 0.78 3.82 3.14 0.00 -1.26 -5.04 105.19 111.06 3n99 n GLY 234 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 3n99 n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n99 s ALA 235 N -2.43 2.90 0.00 4.61 0.00 -0.41 -0.42 121.76 126.02 3n99 s ALA 235 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3n99 s ALA 235 Cb 0.00 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 3n99 s ALA 235 CO 0.00 -0.44 -0.01 0.54 0.00 0.00 0.00 175.76 175.84 3n99 s VAL 236 N -2.41 0.09 0.14 0.00 0.11 0.16 -0.99 120.40 117.51 3n99 s VAL 236 Ca 0.62 -0.23 0.11 0.00 -2.93 0.00 0.00 61.98 59.55 3n99 s VAL 236 Cb -0.13 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 3n99 s VAL 236 CO 0.30 -0.09 -0.26 -0.44 -3.33 0.00 0.00 175.10 171.27 3n99 s SER 237 N -0.34 3.34 -0.05 3.54 0.01 -0.75 -1.06 113.70 118.39 3n99 s SER 237 Ca -0.03 -0.76 0.04 0.00 1.31 0.00 0.00 55.95 56.51 3n99 s SER 237 Cb -0.02 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 3n99 s SER 237 CO -0.00 0.17 -0.16 -0.63 0.41 0.00 0.00 173.24 173.03 3n99 s ILE 238 N -1.14 2.91 0.31 1.44 -1.09 0.82 0.10 121.20 124.53 3n99 s ILE 238 Ca 0.15 -0.78 -0.06 0.00 -2.23 0.00 0.00 60.65 57.73 3n99 s ILE 238 Cb -0.10 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 3n99 s ILE 238 CO 0.07 0.59 0.47 -0.83 -1.23 0.00 0.00 174.94 174.00 3n99 s GLY 239 N -0.63 1.13 -0.09 6.18 0.00 -0.01 0.19 107.32 114.09 3n99 s GLY 239 Ca 0.09 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.56 3n99 s GLY 239 CO 0.01 -0.87 -0.19 0.14 0.00 0.00 0.00 173.10 172.18 3n99 s VAL 240 N -3.39 1.70 0.03 1.40 1.01 0.10 -0.81 120.40 120.43 3n99 s VAL 240 Ca 0.28 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 3n99 s VAL 240 Cb -0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 3n99 s VAL 240 CO 0.16 0.48 1.30 -0.69 0.00 0.00 0.00 175.10 176.35 3n99 s VAL 241 N 0.51 3.83 0.00 2.92 1.01 -0.54 -0.83 120.40 127.30 3n99 s VAL 241 Ca -0.16 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.07 3n99 s VAL 241 Cb -0.17 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3n99 s VAL 241 CO 0.06 0.04 0.00 1.33 0.00 0.00 0.00 175.10 176.54 3n99 n VAL 242 N 4.31 0.00 -3.99 2.92 0.24 0.19 -0.09 118.33 121.92 3n99 n VAL 242 Ca 0.11 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 62.12 3n99 n VAL 242 Cb 0.45 0.70 -0.05 0.00 -1.47 0.00 0.00 33.84 33.47 3n99 n VAL 242 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 3n99 s HIS 243 N -1.27 0.33 0.80 6.34 -3.43 -1.26 -4.52 115.29 112.29 3n99 s HIS 243 Ca 0.00 -0.70 -0.12 0.00 -0.80 0.00 0.00 55.06 53.44 3n99 s HIS 243 Cb 0.00 0.24 0.08 0.00 -1.43 0.00 0.00 32.58 31.46 3n99 s HIS 243 CO 0.00 -1.02 1.18 -1.54 -2.00 0.00 0.00 174.74 171.35 3n99 s SER 244 N -3.01 4.55 0.92 7.38 1.04 -0.41 -3.19 113.70 120.97 3n99 s SER 244 Ca 0.22 0.80 -0.13 0.00 0.48 0.00 0.00 55.95 57.31 3n99 s SER 244 Cb -0.01 -1.30 0.04 0.00 0.10 0.00 0.00 66.02 64.84 3n99 s SER 244 CO 0.09 -1.88 0.49 0.00 0.98 0.00 0.00 173.24 172.92 3n99 n ALA 245 N -3.30 -2.29 -2.27 5.32 0.00 0.64 -3.92 120.51 114.69 3n99 n ALA 245 Ca 0.08 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.82 3n99 n ALA 245 Cb 0.61 -1.84 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 3n99 n ALA 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n99 n VAL 247 N -0.13 0.04 -2.87 0.00 0.24 -1.26 -4.73 118.33 109.62 3n99 n VAL 247 Ca -0.11 -0.34 -0.30 0.00 -2.04 0.00 0.00 64.34 61.56 3n99 n VAL 247 Cb 0.60 0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 33.23 3n99 n VAL 247 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3n99 s SER 248 N -4.07 6.47 0.24 -1.34 0.01 -1.23 -1.53 113.70 112.25 3n99 s SER 248 Ca -0.02 1.06 -0.31 0.00 1.31 0.00 0.00 55.95 57.99 3n99 s SER 248 Cb 0.14 -2.29 -0.11 0.00 0.21 0.00 0.00 66.02 63.97 3n99 s SER 248 CO 0.88 -0.41 1.58 0.00 0.41 0.00 0.00 173.24 175.71 3n99 s ALA 249 N -2.40 3.77 0.00 1.44 0.00 -1.26 -2.30 121.76 121.01 3n99 s ALA 249 Ca 0.50 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.94 3n99 s ALA 249 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3n99 s ALA 249 CO 0.33 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3n99 n GLY 250 N 2.88 1.39 3.65 0.00 0.00 -1.26 -5.01 105.19 106.84 3n99 n GLY 250 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3n99 n GLY 250 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3n99 s HIS 251 N -2.91 2.58 -3.33 1.61 0.09 -0.97 -1.14 115.29 111.22 3n99 s HIS 251 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 55.06 54.62 3n99 s HIS 251 Cb 0.00 -1.55 0.00 0.00 -0.00 0.00 0.00 32.58 31.03 3n99 s HIS 251 CO 0.00 0.44 0.00 0.41 -0.00 0.00 0.00 174.74 175.59 3n99 n GLY 252 N -1.00 -1.59 3.75 -2.22 0.00 -1.25 -4.42 105.19 98.46 3n99 n GLY 252 Ca -0.04 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 3n99 n GLY 252 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n99 s PRO 253 N -1.50 4.12 0.38 1.61 0.02 -1.11 -4.38 135.00 134.13 3n99 s PRO 253 Ca 0.00 2.58 -0.19 0.00 0.02 0.00 0.00 61.00 63.41 3n99 s PRO 253 Cb 0.00 -3.02 -0.10 0.00 0.02 0.00 0.00 34.50 31.40 3n99 s PRO 253 CO 0.00 -0.63 0.87 0.20 -0.33 0.00 0.00 177.00 177.11 3n99 s GLY 254 N 0.46 2.41 -0.09 0.52 0.00 -1.19 -0.79 107.32 108.63 3n99 s GLY 254 Ca 0.63 0.28 0.02 0.00 0.00 0.00 0.00 44.72 45.64 3n99 s GLY 254 CO 0.49 0.55 -0.14 0.14 0.00 0.00 0.00 173.10 174.14 3n99 s VAL 255 N -2.04 1.34 -0.21 1.40 1.01 0.21 -0.63 120.40 121.47 3n99 s VAL 255 Ca 0.58 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 3n99 s VAL 255 Cb -0.10 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3n99 s VAL 255 CO 0.16 0.41 0.27 -0.69 0.00 0.00 0.00 175.10 175.24 3n99 s VAL 256 N 0.92 5.29 0.12 2.92 1.01 -0.01 -1.08 120.40 129.57 3n99 s VAL 256 Ca -0.09 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 3n99 s VAL 256 Cb -0.15 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 3n99 s VAL 256 CO 0.00 0.32 1.07 -0.69 0.00 0.00 0.00 175.10 175.80 3n99 s VAL 257 N 1.06 4.16 -0.10 2.92 1.01 -1.26 -0.72 120.40 127.47 3n99 s VAL 257 Ca 0.13 1.74 0.06 0.00 0.00 0.00 0.00 61.98 63.92 3n99 s VAL 257 Cb -0.14 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 3n99 s VAL 257 CO 0.05 0.25 0.17 2.30 0.00 0.00 0.00 175.10 177.87 3n99 n ILE 258 N 2.91 0.00 -3.71 2.22 -5.35 0.13 -4.49 119.36 111.08 3n99 n ILE 258 Ca 0.04 -0.21 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 3n99 n ILE 258 Cb 0.47 0.56 -0.10 0.00 -1.74 0.00 0.00 39.64 38.84 3n99 n ILE 258 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 3n99 s MET 259 N -2.16 0.53 -0.02 6.28 0.00 -0.97 -1.65 119.30 121.30 3n99 s MET 259 Ca -0.01 0.70 -0.15 0.00 0.00 0.00 0.00 55.69 56.23 3n99 s MET 259 Cb 0.04 0.22 0.02 0.00 0.00 0.00 0.00 34.83 35.11 3n99 s MET 259 CO 0.26 -0.08 0.31 -0.08 0.00 0.00 0.00 175.02 175.43 3n99 s THR 260 N 0.48 0.05 -3.28 10.11 -1.32 0.04 -0.13 115.64 121.59 3n99 s THR 260 Ca -0.02 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.03 3n99 s THR 260 Cb -0.04 -0.60 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 3n99 s THR 260 CO -0.02 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 3n99 n GLY 261 N 1.41 -0.54 3.87 6.08 0.00 -0.23 -1.40 105.19 114.39 3n99 n GLY 261 Ca -0.21 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 3n99 n GLY 261 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n99 s ASP 262 N -4.00 6.63 0.60 1.61 2.15 -1.26 0.40 116.67 122.79 3n99 s ASP 262 Ca 0.00 0.90 0.37 0.00 0.43 0.00 0.00 52.55 54.25 3n99 s ASP 262 Cb 0.00 -2.22 1.85 0.00 -0.30 0.00 0.00 42.92 42.26 3n99 s ASP 262 CO 0.00 -0.05 2.18 1.05 -0.17 0.00 0.00 175.17 178.18 3n99 h GLU 263 N 2.64 0.00 0.00 4.34 4.11 -0.96 -0.18 114.58 124.53 3n99 h GLU 263 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3n99 h GLU 263 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3n99 h GLU 263 CO 0.69 0.03 0.00 0.66 0.07 0.00 0.00 179.01 180.46 3n99 h SER 264 N 0.00 0.00 0.00 3.06 4.64 -1.94 -3.34 113.55 115.97 3n99 h SER 264 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3n99 h SER 264 Cb 0.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.28 3n99 h SER 264 CO 0.00 0.00 -1.86 0.29 -0.87 0.00 0.00 176.83 174.39 3n99 n LYS 265 N -2.78 1.51 -3.96 4.77 4.76 -0.34 -4.92 118.16 117.21 3n99 n LYS 265 Ca 0.03 0.02 -0.35 0.00 -2.87 0.00 0.00 58.31 55.14 3n99 n LYS 265 Cb 0.38 -1.32 -0.12 0.00 -1.84 0.00 0.00 35.03 32.13 3n99 n LYS 265 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3n99 s ILE 266 N -2.30 4.24 -0.39 -0.18 1.01 -0.23 -0.43 121.20 122.91 3n99 s ILE 266 Ca -0.11 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.37 3n99 s ILE 266 Cb 0.04 -2.94 0.11 0.00 0.01 0.00 0.00 42.46 39.68 3n99 s ILE 266 CO 0.46 0.40 0.12 -0.76 0.00 0.00 0.00 174.94 175.16 3n99 s LEU 267 N 1.10 4.68 0.22 2.97 1.43 0.11 -4.48 118.68 124.71 3n99 s LEU 267 Ca 0.03 -2.39 -0.30 0.00 -1.03 0.00 0.00 54.13 50.45 3n99 s LEU 267 Cb -0.14 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 3n99 s LEU 267 CO 0.02 -0.35 1.20 -2.84 0.23 0.00 0.00 176.35 174.62 3n99 s PRO 268 N 0.58 4.49 -0.21 1.29 0.02 -1.26 -1.43 135.00 138.48 3n99 s PRO 268 Ca 0.13 1.92 0.02 0.00 0.02 0.00 0.00 61.00 63.09 3n99 s PRO 268 Cb -0.21 -3.20 0.04 0.00 0.02 0.00 0.00 34.50 31.14 3n99 s PRO 268 CO -0.06 -0.06 -0.16 -1.21 -0.33 0.00 0.00 177.00 175.19 3n99 s GLU 269 N -0.66 2.61 -0.21 5.54 2.02 0.46 -4.88 118.70 123.59 3n99 s GLU 269 Ca 0.51 -1.03 -0.29 0.00 0.02 0.00 0.00 54.97 54.18 3n99 s GLU 269 Cb -0.34 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 3n99 s GLU 269 CO 0.40 -0.37 1.27 -2.00 0.02 0.00 0.00 175.26 174.58 3n99 s GLU 270 N 1.23 4.13 0.47 1.61 2.12 -1.26 -1.03 118.70 125.98 3n99 s GLU 270 Ca -0.01 1.53 0.02 0.00 0.36 0.00 0.00 54.97 56.87 3n99 s GLU 270 Cb -0.16 -3.80 -0.01 0.00 0.26 0.00 0.00 34.13 30.42 3n99 s GLU 270 CO -0.09 -0.83 0.07 0.14 -0.54 0.00 0.00 175.26 174.00 3n99 s VAL 271 N 3.77 0.84 0.06 3.70 -7.23 -0.01 -4.93 120.40 116.59 3n99 s VAL 271 Ca 0.55 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.54 3n99 s VAL 271 Cb -0.20 -2.20 -0.15 0.00 0.56 0.00 0.00 36.38 34.39 3n99 s VAL 271 CO 0.17 0.00 1.30 -0.33 -0.31 0.00 0.00 175.10 175.93 3n99 h GLU 272 N 1.53 0.53 -3.52 4.82 3.07 -1.94 -3.41 114.58 115.66 3n99 h GLU 272 Ca -0.39 -0.35 -0.26 0.00 -0.50 0.00 0.00 59.36 57.86 3n99 h GLU 272 Cb 1.30 0.05 -0.31 0.00 -0.84 0.00 0.00 28.75 28.95 3n99 h GLU 272 CO 0.65 0.97 -0.68 0.50 -1.40 0.00 0.00 179.01 179.04 3n99 s ARG 273 N -3.98 0.02 -0.35 2.33 3.52 -1.26 -4.98 118.95 114.25 3n99 s ARG 273 Ca -0.13 0.17 0.06 0.00 -0.13 0.00 0.00 55.73 55.69 3n99 s ARG 273 Cb 0.06 -0.13 0.18 0.00 -1.56 0.00 0.00 34.95 33.51 3n99 s ARG 273 CO 0.81 -0.10 0.54 0.00 -0.81 0.00 0.00 175.30 175.74 3n99 s ALA 274 N 0.66 -1.90 -0.08 6.12 0.00 -1.26 -4.95 121.76 120.35 3n99 s ALA 274 Ca -0.05 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.16 3n99 s ALA 274 Cb -0.07 -2.47 0.04 0.00 0.00 0.00 0.00 23.12 20.62 3n99 s ALA 274 CO -0.02 -2.02 0.17 1.21 0.00 0.00 0.00 175.76 175.10 3n99 s ASN 275 N 2.19 0.16 0.64 0.00 3.84 -1.26 -1.21 114.94 119.30 3n99 s ASN 275 Ca 0.13 0.36 0.40 0.00 0.21 0.00 0.00 52.86 53.96 3n99 s ASN 275 Cb -0.09 0.28 2.19 0.00 -0.55 0.00 0.00 41.25 43.08 3n99 s ASN 275 CO -0.16 -0.19 2.31 0.16 -2.79 0.00 0.00 177.10 176.44 3n99 h ILE 276 N 6.15 0.16 0.00 -5.21 3.07 -1.65 -2.27 117.51 117.76 3n99 h ILE 276 Ca -0.32 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.04 3n99 h ILE 276 Cb 1.13 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 3n99 h ILE 276 CO 0.31 0.01 0.00 0.77 -1.05 0.00 0.00 178.15 178.19 3n99 h SER 277 N 0.00 0.00 0.71 2.16 4.64 -1.89 -0.21 113.55 118.95 3n99 h SER 277 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n99 h SER 277 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3n99 h SER 277 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3n99 n ASP 278 N -2.81 0.41 -0.29 4.97 8.00 -0.85 -3.27 116.55 122.71 3n99 n ASP 278 Ca -0.01 0.59 0.10 0.00 0.71 0.00 0.00 54.79 56.18 3n99 n ASP 278 Cb 0.16 -0.68 0.17 0.00 -0.02 0.00 0.00 41.12 40.74 3n99 n ASP 278 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3n99 n TYR 279 N -1.94 0.25 -0.32 1.24 4.01 -0.09 -5.15 117.16 115.15 3n99 n TYR 279 Ca 0.03 -0.97 0.00 0.00 -0.16 0.00 0.00 57.90 56.81 3n99 n TYR 279 Cb 0.23 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 3n99 n TYR 279 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68