#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n99 n HIS -4 N 0.00 0.06 -3.96 1.57 -0.00 -1.26 -4.80 115.22 106.83 3n99 n HIS -4 Ca 0.00 0.02 -0.16 0.00 -0.00 0.00 0.00 57.72 57.58 3n99 n HIS -4 Cb 0.00 -0.20 -0.15 0.00 -0.00 0.00 0.00 29.99 29.64 3n99 n HIS -4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3n99 s HIS -3 N -3.05 0.27 -0.19 4.41 2.46 -1.26 -0.76 115.29 117.17 3n99 s HIS -3 Ca 0.08 -0.01 -0.05 0.00 0.47 0.00 0.00 55.06 55.55 3n99 s HIS -3 Cb 0.16 -0.29 0.07 0.00 -0.13 0.00 0.00 32.58 32.40 3n99 s HIS -3 CO 0.79 -0.07 0.14 -1.58 -2.47 0.00 0.00 174.74 171.54 3n99 s HIS -2 N 0.54 0.03 -0.35 3.88 5.04 0.13 -4.99 115.29 119.57 3n99 s HIS -2 Ca -0.05 -0.15 0.22 0.00 -1.54 0.00 0.00 55.06 53.53 3n99 s HIS -2 Cb -0.08 -0.59 0.21 0.00 0.04 0.00 0.00 32.58 32.16 3n99 s HIS -2 CO -0.01 -0.56 1.41 0.78 -2.34 0.00 0.00 174.74 174.02 3n99 h GLY -1 N 8.38 0.00 -7.36 1.59 0.00 -1.90 -0.29 103.07 103.50 3n99 h GLY -1 Ca -0.16 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.59 3n99 h GLY -1 CO 0.29 0.00 -0.76 0.30 0.00 0.00 0.00 176.54 176.37 3n99 s HIS 0 N -3.23 1.96 0.62 5.60 0.09 -1.26 -4.77 115.29 114.30 3n99 s HIS 0 Ca 0.04 -1.70 -0.18 0.00 -0.00 0.00 0.00 55.06 53.23 3n99 s HIS 0 Cb 0.07 -1.67 -0.02 0.00 -0.00 0.00 0.00 32.58 30.96 3n99 s HIS 0 CO 0.71 -0.80 1.23 -1.64 -0.00 0.00 0.00 174.74 174.24 3n99 s MET 1 N 1.54 2.78 -0.07 1.40 1.00 -1.26 -4.92 119.30 119.76 3n99 s MET 1 Ca 0.04 1.87 -0.30 0.00 0.00 0.00 0.00 55.69 57.30 3n99 s MET 1 Cb -0.18 -1.90 -0.03 0.00 0.00 0.00 0.00 34.83 32.72 3n99 s MET 1 CO -0.15 -1.37 1.30 1.03 0.00 0.00 0.00 175.02 175.83 3n99 s ARG 2 N -3.42 4.29 0.35 2.03 0.52 -1.26 -5.00 118.95 116.46 3n99 s ARG 2 Ca 0.78 1.78 0.05 0.00 -0.52 0.00 0.00 55.73 57.82 3n99 s ARG 2 Cb -0.32 -3.64 -0.07 0.00 0.52 0.00 0.00 34.95 31.44 3n99 s ARG 2 CO 0.36 -0.57 0.03 0.95 0.02 0.00 0.00 175.30 176.09 3n99 s THR 3 N 2.71 1.51 -0.34 0.02 -4.23 -1.26 0.22 115.64 114.27 3n99 s THR 3 Ca 0.59 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.12 3n99 s THR 3 Cb -0.26 -2.84 0.50 0.00 1.34 0.00 0.00 72.50 71.24 3n99 s THR 3 CO 0.22 -0.03 1.63 -0.46 -0.54 0.00 0.00 174.62 175.44 3n99 n ASN 4 N -0.78 3.67 -0.22 3.99 6.94 -1.12 -4.75 115.26 123.00 3n99 n ASN 4 Ca -0.03 -3.10 0.12 0.00 -0.02 0.00 0.00 54.58 51.55 3n99 n ASN 4 Cb 0.66 -0.73 0.41 0.00 -2.36 0.00 0.00 39.78 37.77 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 1.02 0.60 0.00 -3.83 2.10 -1.96 0.36 116.57 114.87 3n99 h LYS 5 Ca 0.40 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 3n99 h LYS 5 Cb 2.25 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 33.45 3n99 h LYS 5 CO 0.74 0.40 0.00 -0.25 -2.00 0.00 0.00 179.45 178.34 3n99 n ASP 6 N -4.52 0.69 -0.45 7.07 8.00 -1.26 -1.91 116.55 124.17 3n99 n ASP 6 Ca 0.15 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.45 3n99 n ASP 6 Cb 0.44 -0.82 0.22 0.00 -0.02 0.00 0.00 41.12 40.94 3n99 n ASP 6 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3n99 n ARG 7 N -2.27 1.25 -2.57 -1.24 1.74 0.13 -4.96 116.66 108.74 3n99 n ARG 7 Ca 0.02 -0.90 -0.35 0.00 -0.77 0.00 0.00 57.85 55.85 3n99 n ARG 7 Cb 0.23 -1.48 -0.04 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 -2.38 4.00 -0.14 0.55 1.43 -0.80 -5.02 118.68 116.32 3n99 s LEU 8 Ca 0.24 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 55.16 3n99 s LEU 8 Cb 0.19 -4.37 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 3n99 s LEU 8 CO 0.49 -0.60 0.33 -0.69 0.23 0.00 0.00 176.35 176.11 3n99 s VAL 9 N -1.83 5.27 -0.18 -1.59 1.01 -1.26 -5.05 120.40 116.76 3n99 s VAL 9 Ca 0.62 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.19 3n99 s VAL 9 Cb -0.19 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3n99 s VAL 9 CO 0.23 0.40 -0.03 -0.60 0.00 0.00 0.00 175.10 175.10 3n99 s ARG 10 N 0.34 3.55 -0.02 2.72 3.52 -1.26 -4.64 118.95 123.16 3n99 s ARG 10 Ca 0.19 -0.56 -0.07 0.00 -0.13 0.00 0.00 55.73 55.15 3n99 s ARG 10 Cb -0.14 -2.97 0.01 0.00 -1.56 0.00 0.00 34.95 30.29 3n99 s ARG 10 CO 0.06 0.05 0.16 -1.50 -0.81 0.00 0.00 175.30 173.26 3n99 s ILE 11 N 0.87 0.05 -0.07 4.11 2.07 -0.58 -4.96 121.20 122.69 3n99 s ILE 11 Ca -0.00 -0.44 -0.30 0.00 -1.41 0.00 0.00 60.65 58.50 3n99 s ILE 11 Cb -0.15 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.03 3n99 s ILE 11 CO 0.02 -0.24 1.30 -0.94 -1.91 0.00 0.00 174.94 173.17 3n99 s SER 12 N -0.86 6.94 -0.16 4.50 1.04 -1.26 -0.99 113.70 122.91 3n99 s SER 12 Ca -0.09 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.24 3n99 s SER 12 Cb -0.05 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3n99 s SER 12 CO 0.01 -0.69 -0.16 -0.69 0.98 0.00 0.00 173.24 172.69 3n99 s VAL 13 N 2.70 2.57 0.11 5.02 1.01 0.09 -4.94 120.40 126.96 3n99 s VAL 13 Ca 0.59 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3n99 s VAL 13 Cb -0.26 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3n99 s VAL 13 CO 0.22 0.52 0.10 0.54 0.00 0.00 0.00 175.10 176.48 3n99 s VAL 14 N 0.89 4.54 0.00 2.92 0.11 -1.26 -0.48 120.40 127.13 3n99 s VAL 14 Ca -0.04 -0.87 -0.00 0.00 -2.93 0.00 0.00 61.98 58.14 3n99 s VAL 14 Cb -0.15 -3.24 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 3n99 s VAL 14 CO -0.02 0.04 0.01 0.61 -3.33 0.00 0.00 175.10 172.41 3n99 n GLY 15 N 0.16 1.76 3.17 6.54 0.00 -0.19 -4.70 105.19 111.92 3n99 n GLY 15 Ca -0.08 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 0.66 0.05 1.61 -1.05 0.33 -1.24 118.70 117.06 3n99 s GLU 16 Ca 0.00 -0.59 -0.30 0.00 -0.15 0.00 0.00 54.97 53.93 3n99 s GLU 16 Cb -0.00 0.27 -0.08 0.00 -0.44 0.00 0.00 34.13 33.88 3n99 s GLU 16 CO 0.00 -0.18 1.66 0.42 0.95 0.00 0.00 175.26 178.11 3n99 s ILE 17 N -2.35 3.15 0.48 1.83 1.01 -0.52 -1.13 121.20 123.66 3n99 s ILE 17 Ca -0.07 0.52 -0.20 0.00 0.00 0.00 0.00 60.65 60.91 3n99 s ILE 17 Cb -0.02 -3.34 -0.09 0.00 0.01 0.00 0.00 42.46 39.02 3n99 s ILE 17 CO -0.03 -0.01 0.99 0.00 0.00 0.00 0.00 174.94 175.90 3n99 s ALA 18 N 2.94 2.96 0.80 9.38 0.00 -0.11 -0.85 121.76 136.88 3n99 s ALA 18 Ca 0.74 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 3n99 s ALA 18 Cb -0.39 -3.19 0.07 0.00 0.00 0.00 0.00 23.12 19.62 3n99 s ALA 18 CO 0.32 -0.15 1.09 -1.25 0.00 0.00 0.00 175.76 175.77 3n99 s PRO 19 N -3.41 2.08 0.20 0.00 0.04 -1.26 -1.39 135.00 131.26 3n99 s PRO 19 Ca 0.63 0.86 -0.32 0.00 0.04 0.00 0.00 61.00 62.21 3n99 s PRO 19 Cb -0.12 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 3n99 s PRO 19 CO 0.20 -1.68 1.70 0.00 0.04 0.00 0.00 177.00 177.26 3n99 n ALA 20 N -3.50 2.53 -2.51 8.56 0.00 -1.26 -1.95 120.51 122.38 3n99 n ALA 20 Ca 0.08 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.60 3n99 n ALA 20 Cb 0.55 -2.49 -0.13 0.00 0.00 0.00 0.00 19.45 17.38 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 1.13 2.54 -0.18 0.00 1.02 -0.74 -4.88 119.74 118.62 3n99 s LYS 21 Ca 0.76 -0.70 -0.08 0.00 0.02 0.00 0.00 55.97 55.97 3n99 s LYS 21 Cb -0.54 -2.38 0.08 0.00 -0.52 0.00 0.00 37.83 34.46 3n99 s LYS 21 CO 0.33 0.60 0.41 -1.64 -0.92 0.00 0.00 175.35 174.13 3n99 s MET 22 N -0.67 0.34 0.34 1.68 -1.94 -1.26 -3.78 119.30 114.01 3n99 s MET 22 Ca 0.10 0.93 0.22 0.00 -1.71 0.00 0.00 55.69 55.23 3n99 s MET 22 Cb -0.11 0.18 0.19 0.00 2.01 0.00 0.00 34.83 37.11 3n99 s MET 22 CO 0.01 -0.22 1.40 0.00 -0.01 0.00 0.00 175.02 176.20 3n99 h ARG 23 N 7.79 0.00 -3.49 2.03 3.08 -1.99 -3.46 114.38 118.34 3n99 h ARG 23 Ca -0.23 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.69 3n99 h ARG 23 Cb 1.14 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.99 3n99 h ARG 23 CO 0.19 0.07 -0.44 0.45 -1.07 0.00 0.00 179.97 179.17 3n99 s SER 24 N -5.98 0.02 0.57 7.04 0.15 -1.26 -5.01 113.70 109.22 3n99 s SER 24 Ca 0.04 -0.25 0.28 0.00 0.70 0.00 0.00 55.95 56.73 3n99 s SER 24 Cb 0.07 0.24 1.70 0.00 -1.71 0.00 0.00 66.02 66.32 3n99 s SER 24 CO 0.72 -0.45 2.20 1.55 1.20 0.00 0.00 173.24 178.46 3n99 h PRO 25 N 3.92 0.00 -5.65 5.44 0.13 -1.96 -3.43 132.00 130.45 3n99 h PRO 25 Ca -0.31 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.20 3n99 h PRO 25 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 3n99 h PRO 25 CO 0.44 0.03 -0.35 0.71 -0.23 0.00 0.00 178.00 178.60 3n99 s TYR 26 N -4.54 3.57 -0.18 1.56 2.02 -1.26 -4.28 117.35 114.23 3n99 s TYR 26 Ca -0.04 0.66 -0.10 0.00 -0.37 0.00 0.00 57.07 57.21 3n99 s TYR 26 Cb 0.15 -2.19 -0.05 0.00 -0.40 0.00 0.00 41.96 39.47 3n99 s TYR 26 CO 0.56 0.50 0.15 -1.12 -1.57 0.00 0.00 175.55 174.07 3n99 s SER 27 N -0.39 6.27 -0.25 2.29 0.01 0.25 -4.93 113.70 116.95 3n99 s SER 27 Ca 0.17 0.31 -0.18 0.00 1.31 0.00 0.00 55.95 57.56 3n99 s SER 27 Cb -0.13 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 3n99 s SER 27 CO 0.06 0.21 0.52 -0.69 0.41 0.00 0.00 173.24 173.75 3n99 s VAL 28 N 0.11 5.07 0.84 3.43 1.01 -1.26 -1.35 120.40 128.25 3n99 s VAL 28 Ca 0.10 0.91 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 3n99 s VAL 28 Cb -0.11 -3.84 0.11 0.00 0.00 0.00 0.00 36.38 32.54 3n99 s VAL 28 CO -0.00 0.10 1.20 0.42 0.00 0.00 0.00 175.10 176.82 3n99 s THR 29 N 2.19 2.03 0.03 3.92 -4.23 1.00 -3.61 115.64 116.97 3n99 s THR 29 Ca 0.22 -0.04 0.31 0.00 -1.18 0.00 0.00 61.69 61.00 3n99 s THR 29 Cb -0.16 -2.99 0.37 0.00 1.34 0.00 0.00 72.50 71.07 3n99 s THR 29 CO 0.09 0.00 1.92 0.71 -0.54 0.00 0.00 174.62 176.80 3n99 h THR 30 N -1.16 0.04 0.00 3.99 1.35 -1.71 -1.93 112.91 113.48 3n99 h THR 30 Ca -0.45 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 3n99 h THR 30 Cb 1.30 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 3n99 h THR 30 CO 0.57 0.02 0.00 -0.62 -0.25 0.00 0.00 175.52 175.24 3n99 n GLU 31 N -3.11 0.98 -2.56 4.72 4.71 -1.26 -4.91 120.64 119.20 3n99 n GLU 31 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.04 3n99 n GLU 31 Cb 0.35 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.29 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 0.99 -0.02 3.77 0.62 0.00 -0.73 -5.05 105.19 104.77 3n99 n GLY 32 Ca 0.24 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.81 2.27 0.02 2.61 -4.23 -1.26 -4.90 115.64 107.34 3n99 s THR 33 Ca 0.12 -1.65 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 3n99 s THR 33 Cb -0.05 -2.92 -0.02 0.00 1.34 0.00 0.00 72.50 70.84 3n99 s THR 33 CO 0.15 0.00 -0.25 0.68 -0.54 0.00 0.00 174.62 174.66 3n99 s VAL 34 N -2.60 2.00 0.04 2.29 -7.23 -1.26 -0.00 120.40 113.63 3n99 s VAL 34 Ca 0.40 -1.24 0.04 0.00 -1.81 0.00 0.00 61.98 59.37 3n99 s VAL 34 Cb 0.03 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 3n99 s VAL 34 CO 0.23 0.41 -0.11 -0.13 -0.31 0.00 0.00 175.10 175.18 3n99 s ARG 35 N -0.99 0.74 -0.48 4.82 0.52 -0.45 -4.96 118.95 118.15 3n99 s ARG 35 Ca 0.10 -0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 54.47 3n99 s ARG 35 Cb -0.10 -0.68 0.08 0.00 0.52 0.00 0.00 34.95 34.78 3n99 s ARG 35 CO 0.01 0.16 0.39 0.08 0.02 0.00 0.00 175.30 175.96 3n99 s VAL 36 N -0.93 5.09 0.05 3.52 1.01 -1.26 -0.58 120.40 127.29 3n99 s VAL 36 Ca -0.02 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 3n99 s VAL 36 Cb -0.08 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3n99 s VAL 36 CO 0.01 -0.62 0.06 0.27 0.00 0.00 0.00 175.10 174.82 3n99 s ILE 37 N 1.60 0.16 0.59 2.22 -4.36 -1.26 -5.05 121.20 115.11 3n99 s ILE 37 Ca 0.04 -1.32 -0.19 0.00 -0.26 0.00 0.00 60.65 58.92 3n99 s ILE 37 Cb -0.25 -1.11 -0.03 0.00 1.25 0.00 0.00 42.46 42.31 3n99 s ILE 37 CO 0.05 -0.73 1.24 -2.84 0.24 0.00 0.00 174.94 172.91 3n99 s PRO 38 N -3.14 2.95 0.00 0.37 0.02 -1.26 -4.75 135.00 129.19 3n99 s PRO 38 Ca -0.00 1.93 0.00 0.00 0.02 0.00 0.00 61.00 62.95 3n99 s PRO 38 Cb 0.02 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3n99 s PRO 38 CO -0.07 -1.25 0.00 0.28 -0.33 0.00 0.00 177.00 175.63 3n99 n VAL 39 N -1.52 0.00 -3.02 3.83 0.31 -1.26 -0.84 118.33 115.83 3n99 n VAL 39 Ca 0.13 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.31 3n99 n VAL 39 Cb 0.49 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.47 3n99 n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3n99 n LEU 40 N 0.00 0.00 0.00 7.52 -0.00 -1.25 -4.34 117.00 118.93 3n99 n LEU 40 Ca 0.00 -2.01 0.01 0.00 -0.00 0.00 0.00 56.01 54.01 3n99 n LEU 40 Cb 0.00 -0.35 -0.00 0.00 -0.00 0.00 0.00 43.42 43.07 3n99 n LEU 40 CO 0.00 -0.68 -0.01 0.61 -0.00 0.00 0.00 177.39 177.32 3n99 n GLY 41 N -0.70 -2.15 0.45 1.47 0.00 -1.26 -1.80 105.19 101.20 3n99 n GLY 41 Ca 0.13 -1.46 0.06 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.60 -1.75 3.59 -0.02 0.00 -0.49 -4.55 105.19 101.38 3n99 n GLY 42 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.79 4.65 -0.37 -0.61 1.01 -1.26 -0.91 121.20 121.92 3n99 s ILE 43 Ca 0.00 1.00 -0.14 0.00 0.00 0.00 0.00 60.65 61.51 3n99 s ILE 43 Cb 0.00 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.19 3n99 s ILE 43 CO 0.00 -0.50 0.29 -0.89 0.00 0.00 0.00 174.94 173.84 3n99 s THR 44 N 3.30 5.25 -0.09 2.92 2.01 -0.40 -4.99 115.64 123.63 3n99 s THR 44 Ca 0.35 -0.36 0.18 0.00 0.31 0.00 0.00 61.69 62.17 3n99 s THR 44 Cb -0.12 -3.83 0.13 0.00 0.01 0.00 0.00 72.50 68.69 3n99 s THR 44 CO 0.18 -0.16 1.57 1.88 -0.69 0.00 0.00 174.62 177.40 3n99 h TYR 45 N 8.56 0.00 0.00 4.92 0.05 -1.95 -3.34 116.97 125.20 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 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 3n99 h TYR 45 CO 0.62 0.38 -0.06 0.27 -1.05 0.00 0.00 178.16 178.33 3n99 n ASN 46 N -3.28 1.75 -3.91 3.88 6.94 -1.26 -4.95 115.26 114.43 3n99 n ASN 46 Ca 0.02 -2.40 -0.23 0.00 -0.02 0.00 0.00 54.58 51.95 3n99 n ASN 46 Cb 0.63 -0.22 -0.17 0.00 -2.36 0.00 0.00 39.78 37.67 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 -1.64 0.76 0.11 3.53 1.01 -1.26 -5.12 120.40 117.80 3n99 s VAL 47 Ca 0.14 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 3n99 s VAL 47 Cb 0.13 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 3n99 s VAL 47 CO 0.01 0.29 0.19 -1.59 0.00 0.00 0.00 175.10 174.01 3n99 s LYS 48 N 1.16 0.92 0.33 2.72 -2.85 -1.26 -1.83 119.74 118.93 3n99 s LYS 48 Ca -0.06 -1.07 -0.29 0.00 -1.00 0.00 0.00 55.97 53.55 3n99 s LYS 48 Cb -0.14 0.34 -0.12 0.00 -2.06 0.00 0.00 37.83 35.85 3n99 s LYS 48 CO -0.01 -0.30 1.48 1.55 0.10 0.00 0.00 175.35 178.17 3n99 n VAL 49 N -0.09 1.57 0.00 1.79 3.14 -1.26 -1.56 118.33 121.91 3n99 n VAL 49 Ca -0.12 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 3n99 n VAL 49 Cb 0.63 -1.85 0.00 0.00 -1.06 0.00 0.00 33.84 31.55 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 1.24 2.51 3.82 7.55 0.00 0.33 -4.94 105.19 115.71 3n99 n GLY 50 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.08 5.10 0.37 1.61 1.01 -0.60 -4.70 116.67 119.38 3n99 s ASP 51 Ca 0.00 1.48 -0.28 0.00 0.71 0.00 0.00 52.55 54.46 3n99 s ASP 51 Cb 0.00 -2.31 -0.11 0.00 1.01 0.00 0.00 42.92 41.51 3n99 s ASP 51 CO 0.00 -1.60 1.43 -0.55 0.21 0.00 0.00 175.17 174.66 3n99 s SER 52 N -3.87 6.43 0.57 0.27 0.15 -1.26 -0.40 113.70 115.59 3n99 s SER 52 Ca 0.59 2.94 0.36 0.00 0.70 0.00 0.00 55.95 60.54 3n99 s SER 52 Cb -0.14 -2.66 1.59 0.00 -1.71 0.00 0.00 66.02 63.10 3n99 s SER 52 CO 0.55 -0.80 2.07 0.00 1.20 0.00 0.00 173.24 176.25 3n99 h ALA 53 N 3.05 1.00 -2.27 5.45 0.00 -1.07 -3.42 119.26 121.99 3n99 h ALA 53 Ca -0.50 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.87 3n99 h ALA 53 Cb 1.24 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 3n99 h ALA 53 CO 0.64 0.00 -0.59 0.71 0.00 0.00 0.00 179.25 180.01 3n99 s TYR 54 N -3.77 2.91 0.00 0.00 1.51 -1.26 -0.25 117.35 116.49 3n99 s TYR 54 Ca -0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3n99 s TYR 54 Cb 0.10 -1.31 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 3n99 s TYR 54 CO 0.51 0.56 0.00 0.41 -1.11 0.00 0.00 175.55 175.93 3n99 n GLY 55 N -0.94 0.76 3.83 0.71 0.00 -1.26 -5.02 105.19 103.26 3n99 n GLY 55 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.72 3.67 -1.32 1.61 0.52 -1.26 -4.98 118.94 114.46 3n99 s TRP 56 Ca 0.00 1.22 -0.15 0.00 0.02 0.00 0.00 56.10 57.19 3n99 s TRP 56 Cb 0.00 -2.48 0.09 0.00 -1.15 0.00 0.00 33.47 29.93 3n99 s TRP 56 CO 0.00 0.44 1.83 0.00 0.02 0.00 0.00 176.95 179.25 3n99 n ALA 57 N 1.02 4.36 -3.57 0.98 0.00 -1.26 -4.83 120.51 117.20 3n99 n ALA 57 Ca -0.06 -3.99 -0.06 0.00 0.00 0.00 0.00 53.44 49.34 3n99 n ALA 57 Cb 0.51 -3.42 -0.02 0.00 0.00 0.00 0.00 19.45 16.53 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 3.30 -0.39 -0.04 0.00 0.00 -1.26 -4.30 107.32 104.63 3n99 s GLY 58 Ca 0.48 0.89 0.03 0.00 0.00 0.00 0.00 44.72 46.12 3n99 s GLY 58 CO 0.01 0.28 -0.12 -0.35 0.00 0.00 0.00 173.10 172.93 3n99 s ASP 59 N -2.57 1.54 -1.44 1.64 2.15 -0.02 -4.76 116.67 113.21 3n99 s ASP 59 Ca 0.08 -0.25 -0.11 0.00 0.43 0.00 0.00 52.55 52.70 3n99 s ASP 59 Cb -0.01 -0.47 0.08 0.00 -0.30 0.00 0.00 42.92 42.22 3n99 s ASP 59 CO -0.06 0.08 0.68 1.41 -0.17 0.00 0.00 175.17 177.12 3n99 n HIS 60 N 3.35 -1.95 -2.13 -5.34 8.25 -0.99 -3.98 115.22 112.42 3n99 n HIS 60 Ca -0.19 0.64 -0.41 0.00 -0.26 0.00 0.00 57.72 57.50 3n99 n HIS 60 Cb 0.53 -3.40 -0.03 0.00 1.12 0.00 0.00 29.99 28.22 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 -3.10 3.03 -0.25 1.59 1.01 -1.26 -4.01 120.40 117.40 3n99 s VAL 61 Ca 0.51 0.82 -0.08 0.00 0.00 0.00 0.00 61.98 63.23 3n99 s VAL 61 Cb -0.26 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3n99 s VAL 61 CO 0.63 0.11 0.10 -1.61 0.00 0.00 0.00 175.10 174.34 3n99 s GLU 62 N 0.06 3.78 0.53 2.72 2.02 -1.26 -1.59 118.70 124.97 3n99 s GLU 62 Ca 0.59 -0.42 -0.20 0.00 0.02 0.00 0.00 54.97 54.97 3n99 s GLU 62 Cb -0.39 -3.41 -0.06 0.00 0.10 0.00 0.00 34.13 30.38 3n99 s GLU 62 CO 0.38 -0.13 1.16 -1.25 0.02 0.00 0.00 175.26 175.44 3n99 s PRO 63 N 1.51 3.36 6.61 0.39 0.04 -1.26 -4.59 135.00 141.05 3n99 s PRO 63 Ca 0.06 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.82 3n99 s PRO 63 Cb -0.15 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3n99 s PRO 63 CO 0.05 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.64 3n99 n GLY 64 N 0.32 1.99 3.34 0.56 0.00 -0.76 -4.49 105.19 106.14 3n99 n GLY 64 Ca 0.11 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 3.43 -0.00 1.61 1.01 -0.34 -1.28 120.40 124.84 3n99 s VAL 65 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 3n99 s VAL 65 Cb 0.00 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 3n99 s VAL 65 CO 0.00 0.44 0.74 -0.44 0.00 0.00 0.00 175.10 175.84 3n99 s SER 66 N 1.25 7.12 -0.11 3.32 0.01 -0.09 -1.52 113.70 123.67 3n99 s SER 66 Ca 0.03 1.34 0.03 0.00 1.31 0.00 0.00 55.95 58.66 3n99 s SER 66 Cb -0.14 -2.44 -0.00 0.00 0.21 0.00 0.00 66.02 63.64 3n99 s SER 66 CO -0.01 -0.04 -0.21 -0.69 0.41 0.00 0.00 173.24 172.69 3n99 s VAL 67 N 0.30 2.28 0.38 3.43 1.01 0.38 -0.94 120.40 127.24 3n99 s VAL 67 Ca 0.38 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3n99 s VAL 67 Cb -0.19 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 3n99 s VAL 67 CO 0.21 0.55 0.03 0.00 0.00 0.00 0.00 175.10 175.88 3n99 s MET 68 N 0.42 2.02 0.70 2.72 0.23 -0.29 -1.07 119.30 124.02 3n99 s MET 68 Ca -0.15 -1.93 -0.14 0.00 -1.03 0.00 0.00 55.69 52.44 3n99 s MET 68 Cb -0.17 -1.80 0.02 0.00 -1.53 0.00 0.00 34.83 31.35 3n99 s MET 68 CO 0.07 0.02 1.12 0.00 -2.03 0.00 0.00 175.02 174.20 3n99 s ALA 69 N -2.62 2.36 0.09 3.16 0.00 -1.26 -0.51 121.76 122.98 3n99 s ALA 69 Ca 0.36 0.53 0.27 0.00 0.00 0.00 0.00 51.96 53.12 3n99 s ALA 69 Cb 0.05 -3.33 1.04 0.00 0.00 0.00 0.00 23.12 20.88 3n99 s ALA 69 CO 0.19 -1.48 1.87 0.00 0.00 0.00 0.00 175.76 176.34 3n99 h ARG 70 N -0.29 0.00 -2.01 0.00 3.08 -1.90 -3.44 114.38 109.82 3n99 h ARG 70 Ca -0.46 0.00 0.19 0.00 0.07 0.00 0.00 59.98 59.78 3n99 h ARG 70 Cb 1.25 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.16 3n99 h ARG 70 CO 0.53 0.13 0.61 -0.98 -1.07 0.00 0.00 179.97 179.19 3n99 s ARG 71 N -3.63 0.76 0.26 0.04 1.70 -1.26 -5.07 118.95 111.75 3n99 s ARG 71 Ca 0.01 -0.35 -0.05 0.00 -0.47 0.00 0.00 55.73 54.87 3n99 s ARG 71 Cb 0.09 0.30 0.30 0.00 -0.57 0.00 0.00 34.95 35.08 3n99 s ARG 71 CO 0.61 -0.34 1.93 -0.22 -1.08 0.00 0.00 175.30 176.20 3n99 h LYS 72 N 2.00 1.26 -0.02 3.89 3.64 -2.02 -1.39 116.57 123.92 3n99 h LYS 72 Ca -0.21 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3n99 h LYS 72 Cb 1.22 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3n99 h LYS 72 CO 0.27 0.84 0.03 0.93 -2.27 0.00 0.00 179.45 179.25 3n99 h GLU 73 N 1.29 0.00 -0.35 1.90 3.07 -2.00 -1.67 114.58 116.83 3n99 h GLU 73 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3n99 h GLU 73 Cb -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 3n99 h GLU 73 CO -0.07 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.93 3n99 n GLU 74 N -3.61 2.25 0.03 2.33 1.02 -0.53 -4.39 120.64 117.74 3n99 n GLU 74 Ca -0.03 -1.89 -0.12 0.00 -0.02 0.00 0.00 57.16 55.10 3n99 n GLU 74 Cb 0.11 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 29.97 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 3.64 -0.13 0.05 3.49 5.08 -1.37 -2.68 114.58 122.65 3n99 h GLU 75 Ca 0.00 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3n99 h GLU 75 Cb 0.80 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 3n99 h GLU 75 CO 0.00 0.34 -0.38 0.82 -1.00 0.00 0.00 179.01 178.79 3n99 h ILE 76 N -0.70 0.21 -0.56 3.13 2.04 -1.77 0.03 117.51 119.89 3n99 h ILE 76 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3n99 h ILE 76 Cb 0.54 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3n99 h ILE 76 CO 0.02 0.00 0.37 1.55 0.00 0.00 0.00 178.15 180.09 3n99 h PRO 77 N -0.57 0.61 -0.33 2.37 0.13 -1.84 0.14 132.00 132.52 3n99 h PRO 77 Ca 0.04 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3n99 h PRO 77 Cb 0.63 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 3n99 h PRO 77 CO -0.27 0.41 0.21 1.25 -0.23 0.00 0.00 178.00 179.37 3n99 h LEU 78 N 0.63 0.38 0.00 1.56 5.85 -0.86 -1.19 115.31 121.68 3n99 h LEU 78 Ca 0.23 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 3n99 h LEU 78 Cb 0.11 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3n99 h LEU 78 CO -0.06 0.29 -0.74 0.24 -0.34 0.00 0.00 178.44 177.83 3n99 h MET 79 N 0.44 0.00 0.11 1.25 2.86 -0.32 -3.10 114.93 116.16 3n99 h MET 79 Ca 0.12 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.47 3n99 h MET 79 Cb -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3n99 h MET 79 CO -0.02 0.65 -1.48 1.15 1.06 0.00 0.00 176.91 178.26 3n99 h THR 80 N 0.00 0.97 0.00 2.22 2.02 -0.63 -3.38 112.91 114.11 3n99 h THR 80 Ca -0.02 -2.38 -0.19 0.00 0.77 0.00 0.00 66.41 64.59 3n99 h THR 80 Cb 1.53 2.66 -0.03 0.00 -1.74 0.00 0.00 68.15 70.57 3n99 h THR 80 CO 0.09 0.71 -1.33 -0.07 0.37 0.00 0.00 175.52 175.28 3n99 h LEU 81 N -0.29 0.00 -9.53 2.58 3.38 -1.34 -3.45 115.31 106.66 3n99 h LEU 81 Ca -0.32 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.12 3n99 h LEU 81 Cb 1.77 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.55 3n99 h LEU 81 CO 0.05 0.68 0.91 -0.44 0.09 0.00 0.00 178.44 179.73 3n99 s SER 82 N -5.98 6.62 0.05 -0.43 0.01 -1.17 -4.03 113.70 108.77 3n99 s SER 82 Ca -0.02 2.52 0.09 0.00 1.31 0.00 0.00 55.95 59.85 3n99 s SER 82 Cb 0.08 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 3n99 s SER 82 CO 0.81 -0.83 -0.24 0.00 0.41 0.00 0.00 173.24 173.39 3n99 s ILE 84 N -0.87 2.33 0.00 0.00 1.01 0.50 -0.94 121.20 123.22 3n99 s ILE 84 Ca 0.13 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3n99 s ILE 84 Cb -0.10 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3n99 s ILE 84 CO 0.03 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.60 3n99 n GLY 85 N 3.92 2.70 3.74 6.18 0.00 0.90 -0.85 105.19 121.78 3n99 n GLY 85 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3n99 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n99 s ASN 86 N -1.24 4.94 0.20 1.61 0.02 -0.12 -4.57 114.94 115.78 3n99 s ASN 86 Ca 0.00 2.73 -0.30 0.00 -1.02 0.00 0.00 52.86 54.28 3n99 s ASN 86 Cb 0.00 -2.63 -0.08 0.00 0.02 0.00 0.00 41.25 38.56 3n99 s ASN 86 CO 0.00 -1.79 1.19 -0.70 0.02 0.00 0.00 177.10 175.82 3n99 s GLU 87 N -3.11 4.50 -0.04 -0.60 2.12 -1.26 -1.50 118.70 118.81 3n99 s GLU 87 Ca 0.77 1.88 0.04 0.00 0.36 0.00 0.00 54.97 58.02 3n99 s GLU 87 Cb -0.40 -3.23 -0.00 0.00 0.26 0.00 0.00 34.13 30.76 3n99 s GLU 87 CO 0.45 -0.06 -0.16 0.08 -0.54 0.00 0.00 175.26 175.04 3n99 s VAL 88 N -0.23 1.32 -0.04 3.70 1.01 -0.41 -0.82 120.40 124.92 3n99 s VAL 88 Ca 0.52 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3n99 s VAL 88 Cb -0.33 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3n99 s VAL 88 CO 0.38 0.38 -0.19 -0.63 0.00 0.00 0.00 175.10 175.04 3n99 s ILE 89 N -0.00 1.55 -0.06 2.22 1.01 0.15 -0.90 121.20 125.16 3n99 s ILE 89 Ca -0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 3n99 s ILE 89 Cb -0.10 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 3n99 s ILE 89 CO 0.01 0.44 0.99 -0.69 0.00 0.00 0.00 174.94 175.70 3n99 s VAL 90 N -0.03 4.82 -0.53 2.92 1.01 -0.29 -1.64 120.40 126.66 3n99 s VAL 90 Ca -0.03 2.04 0.06 0.00 0.00 0.00 0.00 61.98 64.05 3n99 s VAL 90 Cb -0.12 -4.31 0.17 0.00 0.00 0.00 0.00 36.38 32.12 3n99 s VAL 90 CO 0.02 0.07 1.13 0.23 0.00 0.00 0.00 175.10 176.55 3n99 n MET 91 N 4.57 2.85 -3.84 2.72 0.00 0.07 -0.80 117.12 122.68 3n99 n MET 91 Ca 0.08 -1.79 -0.08 0.00 0.00 0.00 0.00 57.70 55.91 3n99 n MET 91 Cb 0.50 -1.15 -0.02 0.00 0.00 0.00 0.00 33.22 32.54 3n99 n MET 91 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3n99 s SER 92 N -0.99 -0.27 0.10 7.83 1.04 -1.24 -4.82 113.70 115.36 3n99 s SER 92 Ca 0.13 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3n99 s SER 92 Cb 0.07 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.89 3n99 s SER 92 CO 0.09 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.62 3n99 n GLY 93 N -0.45 -2.02 0.23 7.32 0.00 -1.26 -3.80 105.19 105.21 3n99 n GLY 93 Ca -0.05 -1.40 0.16 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.04 0.00 -0.55 1.61 3.32 -1.98 -2.39 116.42 116.40 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 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 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 -1.95 2.81 -1.52 3.45 0.00 -1.26 -5.00 120.51 117.04 3n99 n ALA 95 Ca -0.00 -1.57 -0.47 0.00 0.00 0.00 0.00 53.44 51.39 3n99 n ALA 95 Cb 0.19 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 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 0.86 0.78 0.00 0.00 4.81 -0.90 -0.83 118.16 122.88 3n99 n LYS 96 Ca 0.22 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3n99 n LYS 96 Cb 0.77 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 34.26 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 1.67 2.58 3.77 3.14 0.00 0.02 -5.00 105.19 111.38 3n99 n GLY 97 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.39 5.88 0.06 1.61 0.01 -0.01 -4.78 113.70 114.07 3n99 s SER 98 Ca 0.00 2.25 0.09 0.00 1.31 0.00 0.00 55.95 59.60 3n99 s SER 98 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 3n99 s SER 98 CO 0.00 -1.12 -0.24 -0.13 0.41 0.00 0.00 173.24 172.16 3n99 s ARG 99 N -3.03 1.57 0.00 12.44 0.52 -1.26 -1.14 118.95 128.05 3n99 s ARG 99 Ca 0.69 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 3n99 s ARG 99 Cb -0.26 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.44 3n99 s ARG 99 CO 0.31 0.45 0.00 0.41 0.02 0.00 0.00 175.30 176.49 3n99 n GLY 100 N 1.67 4.08 3.31 -3.53 0.00 -0.08 -4.57 105.19 106.07 3n99 n GLY 100 Ca -0.17 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 3n99 n GLY 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3n99 s PHE 101 N -1.97 -0.27 -0.02 1.61 -0.71 -0.44 -1.28 117.98 114.90 3n99 s PHE 101 Ca 0.00 0.29 -0.30 0.00 -1.04 0.00 0.00 56.93 55.88 3n99 s PHE 101 Cb 0.00 0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.96 3n99 s PHE 101 CO 0.00 -0.53 1.39 0.08 -1.34 0.00 0.00 175.22 174.82 3n99 s VAL 102 N -2.12 3.78 -0.49 -2.49 1.01 -0.57 -0.16 120.40 119.38 3n99 s VAL 102 Ca -0.08 1.14 0.22 0.00 0.00 0.00 0.00 61.98 63.26 3n99 s VAL 102 Cb -0.02 -3.73 -0.22 0.00 0.00 0.00 0.00 36.38 32.41 3n99 s VAL 102 CO 0.00 -0.01 0.79 0.35 0.00 0.00 0.00 175.10 176.23 3n99 n THR 103 N 4.75 0.08 0.00 3.92 -2.24 0.62 -0.07 114.28 121.35 3n99 n THR 103 Ca 0.13 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3n99 n THR 103 Cb 0.44 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 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 1.36 -0.68 3.28 3.38 0.00 -1.19 -4.84 105.19 106.50 3n99 n GLY 104 Ca 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.00 0.81 -0.16 1.61 -2.85 -1.26 -0.67 119.74 115.22 3n99 s LYS 105 Ca 0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 55.97 54.63 3n99 s LYS 105 Cb 0.00 0.36 0.05 0.00 -2.06 0.00 0.00 37.83 36.18 3n99 s LYS 105 CO 0.00 -0.26 -0.01 -1.58 0.10 0.00 0.00 175.35 173.60 3n99 s HIS 106 N -2.08 1.28 0.75 1.78 2.46 0.26 -4.05 115.29 115.70 3n99 s HIS 106 Ca -0.08 -0.84 -0.11 0.00 0.47 0.00 0.00 55.06 54.50 3n99 s HIS 106 Cb -0.02 -1.12 0.04 0.00 -0.13 0.00 0.00 32.58 31.35 3n99 s HIS 106 CO 0.00 -0.56 1.08 0.20 -2.47 0.00 0.00 174.74 172.99 3n99 s GLY 107 N 1.77 1.64 0.00 1.59 0.00 -1.26 -1.66 107.32 109.40 3n99 s GLY 107 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.62 3n99 s GLY 107 CO -0.07 0.27 0.00 0.61 0.00 0.00 0.00 173.10 173.90 3n99 n GLY 108 N -2.13 1.04 0.28 0.20 0.00 -1.26 -4.27 105.19 99.05 3n99 n GLY 108 Ca 0.07 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 0.37 -4.91 1.61 -1.51 -2.04 -3.47 116.25 106.31 3n99 h VAL 109 Ca 0.00 -0.44 -0.14 0.00 -1.23 0.00 0.00 66.70 64.89 3n99 h VAL 109 Cb 0.00 1.32 0.11 0.00 -2.13 0.00 0.00 31.29 30.59 3n99 h VAL 109 CO 0.00 0.08 -0.48 0.59 -1.23 0.00 0.00 177.57 176.53 3n99 n ASN 110 N -3.45 -5.92 -4.67 4.19 3.02 -0.90 -4.97 115.26 102.56 3n99 n ASN 110 Ca -0.02 -0.41 -0.32 0.00 -0.03 0.00 0.00 54.58 53.81 3n99 n ASN 110 Cb 0.22 -4.26 -0.09 0.00 -0.61 0.00 0.00 39.78 35.04 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 -3.22 3.02 -0.10 3.10 3.76 -0.66 -4.49 115.29 116.70 3n99 s HIS 111 Ca 0.26 0.02 -0.03 0.00 -0.15 0.00 0.00 55.06 55.16 3n99 s HIS 111 Cb -0.03 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.01 3n99 s HIS 111 CO 0.58 0.46 0.01 0.08 -0.85 0.00 0.00 174.74 175.03 3n99 s VAL 112 N -1.17 4.41 -0.06 -0.90 1.01 -0.24 -0.57 120.40 122.89 3n99 s VAL 112 Ca 0.22 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.02 3n99 s VAL 112 Cb -0.12 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3n99 s VAL 112 CO 0.13 0.59 -0.13 -0.76 0.00 0.00 0.00 175.10 174.93 3n99 s LEU 113 N -0.76 2.77 -0.02 3.92 1.43 0.15 -0.47 118.68 125.70 3n99 s LEU 113 Ca 0.12 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3n99 s LEU 113 Cb -0.12 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.55 3n99 s LEU 113 CO 0.02 0.33 -0.00 -0.69 0.23 0.00 0.00 176.35 176.24 3n99 s VAL 114 N -0.63 0.13 -0.16 -1.59 1.01 -0.58 -0.27 120.40 118.31 3n99 s VAL 114 Ca 0.09 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 3n99 s VAL 114 Cb -0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 3n99 s VAL 114 CO 0.01 0.09 0.37 -2.28 0.00 0.00 0.00 175.10 173.29 3n99 s HIS 115 N 0.59 3.45 0.27 5.22 2.46 0.78 -1.19 115.29 126.87 3n99 s HIS 115 Ca -0.06 0.68 0.11 0.00 0.47 0.00 0.00 55.06 56.27 3n99 s HIS 115 Cb -0.08 -2.44 -0.05 0.00 -0.13 0.00 0.00 32.58 29.87 3n99 s HIS 115 CO -0.01 0.16 -0.19 -0.06 -2.47 0.00 0.00 174.74 172.17 3n99 s PHE 116 N 0.71 2.22 0.65 3.88 0.08 -1.26 -1.33 117.98 122.93 3n99 s PHE 116 Ca 0.20 -0.37 -0.18 0.00 0.12 0.00 0.00 56.93 56.70 3n99 s PHE 116 Cb -0.14 -0.98 -0.01 0.00 -0.57 0.00 0.00 43.02 41.32 3n99 s PHE 116 CO 0.07 0.66 1.29 0.39 -0.10 0.00 0.00 175.22 177.53 3n99 n GLU 117 N -0.60 1.08 -0.36 0.44 1.02 -1.26 -4.89 120.64 116.07 3n99 n GLU 117 Ca -0.05 0.43 0.07 0.00 -0.02 0.00 0.00 57.16 57.58 3n99 n GLU 117 Cb 0.60 -2.53 0.24 0.00 -0.02 0.00 0.00 31.44 29.73 3n99 n GLU 117 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3n99 h GLU 118 N 0.49 0.96 -0.45 3.49 4.81 -2.01 -1.05 114.58 120.82 3n99 h GLU 118 Ca -0.51 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.63 3n99 h GLU 118 Cb 1.34 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3n99 h GLU 118 CO 0.53 0.64 0.14 0.93 -0.73 0.00 0.00 179.01 180.52 3n99 h GLU 119 N 0.99 0.65 -0.43 1.92 3.07 -2.04 -2.49 114.58 116.26 3n99 h GLU 119 Ca 0.50 -0.10 -0.07 0.00 -0.50 0.00 0.00 59.36 59.19 3n99 h GLU 119 Cb 0.49 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3n99 h GLU 119 CO -0.27 0.57 -0.01 0.28 -1.40 0.00 0.00 179.01 178.18 3n99 h VAL 120 N 0.64 1.23 -0.55 3.13 2.07 -1.54 -3.30 116.25 117.93 3n99 h VAL 120 Ca 0.15 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.73 3n99 h VAL 120 Cb 0.19 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3n99 h VAL 120 CO -0.01 0.33 0.36 -0.07 0.02 0.00 0.00 177.57 178.21 3n99 h LEU 121 N 0.66 0.59 -1.74 2.57 3.38 -1.44 -0.40 115.31 118.93 3n99 h LEU 121 Ca 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3n99 h LEU 121 Cb 0.43 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3n99 h LEU 121 CO 0.02 0.42 -0.05 1.23 0.09 0.00 0.00 178.44 180.14 3n99 h GLY 122 N 0.69 0.00 0.23 0.83 0.00 -1.71 -2.85 103.07 100.27 3n99 h GLY 122 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3n99 h GLY 122 CO -0.05 0.00 -0.65 0.28 0.00 0.00 0.00 176.54 176.12 3n99 n LYS 123 N -3.23 0.29 -2.16 4.80 5.02 -0.17 -4.97 118.16 117.76 3n99 n LYS 123 Ca -0.00 -0.21 -0.32 0.00 -2.02 0.00 0.00 58.31 55.75 3n99 n LYS 123 Cb 0.27 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.85 3.49 -0.03 -0.35 1.43 -1.08 -4.05 118.68 115.23 3n99 s LEU 124 Ca 0.13 1.60 -0.04 0.00 -1.03 0.00 0.00 54.13 54.79 3n99 s LEU 124 Cb 0.17 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.89 3n99 s LEU 124 CO 0.72 -0.83 0.10 -0.32 0.23 0.00 0.00 176.35 176.25 3n99 s MET 125 N -4.35 0.20 0.34 1.70 -2.45 -1.26 -5.05 119.30 108.43 3n99 s MET 125 Ca 0.59 -0.00 -0.29 0.00 -1.25 0.00 0.00 55.69 54.74 3n99 s MET 125 Cb -0.12 0.09 -0.12 0.00 1.25 0.00 0.00 34.83 35.94 3n99 s MET 125 CO 0.38 -0.04 1.42 0.28 1.05 0.00 0.00 175.02 178.12 3n99 n VAL 126 N 2.64 1.77 0.00 10.11 0.31 -1.26 -1.02 118.33 130.88 3n99 n VAL 126 Ca -0.15 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 3n99 n VAL 126 Cb 0.58 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 0.96 2.65 3.73 2.92 0.00 -0.03 -4.92 105.19 110.49 3n99 n GLY 127 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3n99 n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3n99 n ASP 128 N 0.00 3.06 -4.78 1.61 8.00 -0.19 -4.50 116.55 119.75 3n99 n ASP 128 Ca 0.00 1.17 -0.37 0.00 0.71 0.00 0.00 54.79 56.31 3n99 n ASP 128 Cb 0.00 -1.54 -0.05 0.00 -0.02 0.00 0.00 41.12 39.51 3n99 n ASP 128 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3n99 s LYS 129 N -2.11 4.41 -0.05 -1.24 1.02 -1.26 -1.44 119.74 119.07 3n99 s LYS 129 Ca 0.57 1.43 0.01 0.00 0.02 0.00 0.00 55.97 58.00 3n99 s LYS 129 Cb -0.51 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.12 3n99 s LYS 129 CO 0.61 0.10 -0.05 0.42 -0.92 0.00 0.00 175.35 175.51 3n99 s ILE 130 N -1.62 0.58 -0.18 2.17 -1.09 -0.37 -0.75 121.20 119.93 3n99 s ILE 130 Ca 0.53 -0.14 -0.04 0.00 -2.23 0.00 0.00 60.65 58.78 3n99 s ILE 130 Cb -0.21 -0.60 -0.02 0.00 -1.58 0.00 0.00 42.46 40.05 3n99 s ILE 130 CO 0.26 0.24 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.95 3n99 s LEU 131 N 0.95 3.08 -0.17 2.97 2.96 -0.65 -1.02 118.68 126.80 3n99 s LEU 131 Ca -0.10 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 3n99 s LEU 131 Cb -0.14 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3n99 s LEU 131 CO 0.00 0.09 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.49 3n99 s ILE 132 N 0.80 4.15 -1.05 6.68 1.01 0.37 0.30 121.20 133.46 3n99 s ILE 132 Ca -0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.21 3n99 s ILE 132 Cb -0.15 -2.84 0.14 0.00 0.01 0.00 0.00 42.46 39.63 3n99 s ILE 132 CO 0.02 0.48 1.27 -0.54 0.00 0.00 0.00 174.94 176.16 3n99 s LYS 133 N 0.44 3.80 0.14 2.79 1.02 -0.01 -0.73 119.74 127.19 3n99 s LYS 133 Ca -0.02 -2.08 -0.30 0.00 0.02 0.00 0.00 55.97 53.59 3n99 s LYS 133 Cb -0.14 -5.00 -0.07 0.00 -0.52 0.00 0.00 37.83 32.11 3n99 s LYS 133 CO 0.02 -1.79 1.16 0.00 -0.92 0.00 0.00 175.35 173.82 3n99 s ALA 134 N 2.32 3.39 -0.29 5.17 0.00 -0.16 -4.27 121.76 127.92 3n99 s ALA 134 Ca 0.37 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 53.06 3n99 s ALA 134 Cb -0.04 -3.40 0.13 0.00 0.00 0.00 0.00 23.12 19.81 3n99 s ALA 134 CO -0.05 -0.34 0.81 -0.46 0.00 0.00 0.00 175.76 175.72 3n99 s TRP 135 N 0.30 -0.96 0.00 0.00 -0.00 -1.26 -1.52 118.94 115.50 3n99 s TRP 135 Ca 0.54 1.75 0.00 0.00 -0.00 0.00 0.00 56.10 58.39 3n99 s TRP 135 Cb -0.30 0.58 0.00 0.00 -0.00 0.00 0.00 33.47 33.74 3n99 s TRP 135 CO 0.33 -0.48 0.00 0.41 -0.00 0.00 0.00 176.95 177.22 3n99 n GLY 136 N 4.77 1.73 3.73 5.86 0.00 -1.26 -4.09 105.19 115.93 3n99 n GLY 136 Ca -0.14 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 4.62 0.00 1.61 -1.52 -1.26 -2.18 119.66 120.93 3n99 s GLN 137 Ca 0.00 1.62 0.00 0.00 -1.95 0.00 0.00 55.36 55.03 3n99 s GLN 137 Cb 0.00 -3.33 0.00 0.00 -0.22 0.00 0.00 33.01 29.46 3n99 s GLN 137 CO 0.00 0.09 0.00 0.41 -0.25 0.00 0.00 175.29 175.54 3n99 n GLY 138 N 2.25 0.41 3.71 3.09 0.00 -1.26 -4.76 105.19 108.62 3n99 n GLY 138 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3n99 n GLY 138 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3n99 n LEU 139 N 0.00 3.91 -4.25 0.99 7.94 -0.93 -4.95 117.00 119.72 3n99 n LEU 139 Ca 0.00 1.05 -0.28 0.00 -1.11 0.00 0.00 56.01 55.66 3n99 n LEU 139 Cb 0.00 -1.55 -0.16 0.00 0.53 0.00 0.00 43.42 42.24 3n99 n LEU 139 CO 0.00 0.13 -0.54 -0.54 -1.11 0.00 0.00 177.39 175.33 3n99 s LYS 140 N 1.48 1.81 -0.45 1.96 1.02 -1.26 -4.47 119.74 119.84 3n99 s LYS 140 Ca 0.77 -0.80 -0.24 0.00 0.02 0.00 0.00 55.97 55.72 3n99 s LYS 140 Cb -0.52 -1.75 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 3n99 s LYS 140 CO 0.34 0.48 0.85 -0.51 -0.92 0.00 0.00 175.35 175.59 3n99 s LEU 141 N -0.53 4.13 0.38 3.17 1.43 -1.26 -2.79 118.68 123.21 3n99 s LEU 141 Ca 0.09 0.04 0.12 0.00 -1.03 0.00 0.00 54.13 53.35 3n99 s LEU 141 Cb -0.09 -3.07 0.76 0.00 0.03 0.00 0.00 46.19 43.82 3n99 s LEU 141 CO -0.01 -0.96 1.86 -0.07 0.23 0.00 0.00 176.35 177.40 3n99 h LEU 142 N 10.29 0.05 -0.15 1.79 3.38 -0.56 -1.89 115.31 128.22 3n99 h LEU 142 Ca -0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3n99 h LEU 142 Cb 1.08 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3n99 h LEU 142 CO 0.99 0.36 -0.08 0.47 0.09 0.00 0.00 178.44 180.27 3n99 n ASP 143 N -4.15 0.31 -3.22 -0.43 8.00 -1.26 -4.50 116.55 111.30 3n99 n ASP 143 Ca -0.02 -0.44 -0.24 0.00 0.71 0.00 0.00 54.79 54.80 3n99 n ASP 143 Cb 0.37 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 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 -1.07 1.80 0.17 1.24 8.25 -0.71 -4.95 115.22 119.95 3n99 n HIS 144 Ca 0.14 -3.88 0.19 0.00 -0.26 0.00 0.00 57.72 53.91 3n99 n HIS 144 Cb 0.26 -0.45 0.80 0.00 1.12 0.00 0.00 29.99 31.71 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 3.69 0.00 -0.34 -0.41 0.13 -1.79 -0.29 132.00 132.98 3n99 h PRO 145 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3n99 h PRO 145 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3n99 h PRO 145 CO 0.65 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.17 3n99 n ASP 146 N -3.60 3.26 -4.45 1.44 8.00 -1.26 -4.81 116.55 115.12 3n99 n ASP 146 Ca 0.04 -1.97 -0.36 0.00 0.71 0.00 0.00 54.79 53.21 3n99 n ASP 146 Cb 0.47 -0.22 -0.12 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.56 4.19 -0.14 2.53 1.01 -0.12 -4.52 120.40 121.79 3n99 s VAL 147 Ca 0.38 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 3n99 s VAL 147 Cb 0.22 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3n99 s VAL 147 CO 0.31 0.38 0.14 -0.54 0.00 0.00 0.00 175.10 175.38 3n99 s LYS 148 N 1.35 3.65 0.15 2.72 1.02 -0.13 -4.60 119.74 123.89 3n99 s LYS 148 Ca 0.05 -0.16 0.09 0.00 0.02 0.00 0.00 55.97 55.97 3n99 s LYS 148 Cb -0.15 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 3n99 s LYS 148 CO 0.02 0.64 -0.16 0.14 -0.92 0.00 0.00 175.35 175.07 3n99 s VAL 149 N -0.63 2.88 -0.00 3.17 -7.23 -1.26 -0.91 120.40 116.41 3n99 s VAL 149 Ca 0.13 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 3n99 s VAL 149 Cb -0.12 -2.36 0.11 0.00 0.56 0.00 0.00 36.38 34.57 3n99 s VAL 149 CO 0.02 0.00 1.12 0.00 -0.31 0.00 0.00 175.10 175.94 3n99 s MET 150 N -2.43 0.66 -1.71 4.82 0.00 -0.56 -4.67 119.30 115.40 3n99 s MET 150 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 55.69 55.56 3n99 s MET 150 Cb -0.10 0.25 0.00 0.00 0.00 0.00 0.00 34.83 34.98 3n99 s MET 150 CO 0.12 -0.30 0.00 0.09 0.00 0.00 0.00 175.02 174.93 3n99 n ASN 151 N -0.37 -5.40 -3.82 -1.18 3.02 -1.26 -4.17 115.26 102.09 3n99 n ASN 151 Ca -0.06 0.40 -0.18 0.00 -0.03 0.00 0.00 54.58 54.70 3n99 n ASN 151 Cb 0.61 -4.44 -0.16 0.00 -0.61 0.00 0.00 39.78 35.18 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 -2.36 0.25 0.16 2.41 1.10 -1.26 -0.37 121.20 121.13 3n99 s ILE 152 Ca 0.00 0.07 -0.34 0.00 -0.51 0.00 0.00 60.65 59.87 3n99 s ILE 152 Cb 0.00 -0.35 -0.14 0.00 0.15 0.00 0.00 42.46 42.12 3n99 s ILE 152 CO 0.00 0.17 1.55 -0.67 -2.11 0.00 0.00 174.94 173.89 3n99 n ASP 153 N 4.30 2.99 0.24 4.50 -0.08 -0.03 -4.56 116.55 123.91 3n99 n ASP 153 Ca -0.23 1.09 0.07 0.00 -1.51 0.00 0.00 54.79 54.21 3n99 n ASP 153 Cb 0.50 -1.41 0.59 0.00 2.34 0.00 0.00 41.12 43.14 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 5.74 0.01 -0.08 -0.67 0.11 -1.91 -0.13 132.00 135.08 3n99 h PRO 154 Ca -0.45 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 3n99 h PRO 154 Cb 1.26 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3n99 h PRO 154 CO 0.87 0.07 -0.73 -0.44 -0.21 0.00 0.00 178.00 177.57 3n99 h ASP 155 N 0.01 0.51 -0.30 -2.05 3.32 -1.96 -2.63 116.42 113.31 3n99 h ASP 155 Ca 0.00 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.61 3n99 h ASP 155 Cb 0.11 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3n99 h ASP 155 CO 0.01 1.07 -0.21 0.25 -1.72 0.00 0.00 179.24 178.64 3n99 h LEU 156 N 0.29 0.79 -0.86 1.55 5.85 -1.71 -3.04 115.31 118.18 3n99 h LEU 156 Ca -0.03 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.47 3n99 h LEU 156 Cb 1.31 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3n99 h LEU 156 CO 0.13 0.98 0.54 0.15 -0.34 0.00 0.00 178.44 179.90 3n99 h PHE 157 N 0.68 0.99 0.00 1.25 3.57 -0.86 -0.45 116.94 122.12 3n99 h PHE 157 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3n99 h PHE 157 Cb 0.72 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3n99 h PHE 157 CO 0.04 0.51 0.00 0.39 -2.23 0.00 0.00 178.31 177.01 3n99 n GLU 158 N -4.61 0.12 -0.26 1.11 1.02 -1.01 -2.44 120.64 114.56 3n99 n GLU 158 Ca 0.12 0.44 0.11 0.00 -0.02 0.00 0.00 57.16 57.81 3n99 n GLU 158 Cb 0.17 -1.77 0.25 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.00 2.57 -0.08 3.49 5.02 -0.18 -4.56 118.16 122.42 3n99 n LYS 159 Ca 0.01 -2.38 0.10 0.00 -2.02 0.00 0.00 58.31 54.02 3n99 n LYS 159 Cb 0.15 -1.50 0.38 0.00 -0.02 0.00 0.00 35.03 34.05 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 1.42 1.61 -0.04 -0.35 4.77 -1.02 -4.91 117.00 118.48 3n99 n LEU 160 Ca 0.20 -0.67 -0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3n99 n LEU 160 Cb 0.58 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3n99 n LEU 160 CO 0.15 0.34 -0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3n99 n GLY 161 N 1.12 0.46 3.75 -0.72 0.00 -1.26 -4.54 105.19 103.99 3n99 n GLY 161 Ca 0.16 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.00 4.37 0.02 -0.61 1.01 -1.26 -4.53 121.20 118.20 3n99 s ILE 162 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.58 3n99 s ILE 162 Cb 0.00 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 3n99 s ILE 162 CO 0.00 0.43 -0.02 -1.10 0.00 0.00 0.00 174.94 174.24 3n99 s GLN 163 N -0.63 0.24 -0.16 2.79 -0.21 -0.97 -4.78 119.66 115.95 3n99 s GLN 163 Ca 0.41 -0.47 -0.06 0.00 0.02 0.00 0.00 55.36 55.26 3n99 s GLN 163 Cb -0.24 0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.81 3n99 s GLN 163 CO 0.29 -0.04 0.05 -2.00 -2.12 0.00 0.00 175.29 171.47 3n99 s GLU 164 N -1.12 3.75 -0.22 2.91 2.12 -0.12 -0.40 118.70 125.62 3n99 s GLU 164 Ca -0.12 -0.35 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 3n99 s GLU 164 Cb -0.08 -3.12 0.11 0.00 0.26 0.00 0.00 34.13 31.30 3n99 s GLU 164 CO -0.01 0.39 0.39 0.21 -0.54 0.00 0.00 175.26 175.70 3n99 s LYS 165 N 0.04 0.33 -1.17 4.30 2.20 -0.41 0.18 119.74 125.20 3n99 s LYS 165 Ca 0.05 0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 56.37 3n99 s LYS 165 Cb -0.12 -0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.04 3n99 s LYS 165 CO 0.01 -0.48 0.25 0.09 -0.36 0.00 0.00 175.35 174.86 3n99 n ASN 166 N 5.37 -4.66 -0.60 1.43 3.02 0.06 -1.81 115.26 118.08 3n99 n ASN 166 Ca -0.05 -0.12 -0.08 0.00 -0.03 0.00 0.00 54.58 54.29 3n99 n ASN 166 Cb 0.50 -3.64 -0.03 0.00 -0.61 0.00 0.00 39.78 35.99 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 -1.18 0.92 3.41 7.41 0.00 -1.26 -5.02 105.19 109.47 3n99 n GLY 167 Ca -0.12 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.36 1.80 -0.20 1.61 1.02 -0.75 -4.86 119.74 116.00 3n99 s LYS 168 Ca 0.00 -1.13 -0.05 0.00 0.02 0.00 0.00 55.97 54.81 3n99 s LYS 168 Cb 0.00 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 3n99 s LYS 168 CO 0.00 0.50 0.01 0.42 -0.92 0.00 0.00 175.35 175.36 3n99 s ILE 169 N -0.94 4.02 -0.20 2.17 1.01 0.19 -1.29 121.20 126.16 3n99 s ILE 169 Ca 0.14 -0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 3n99 s ILE 169 Cb -0.10 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 3n99 s ILE 169 CO 0.05 0.42 0.12 -1.00 0.00 0.00 0.00 174.94 174.53 3n99 s HIS 170 N 1.02 3.35 -0.08 3.97 3.76 0.46 0.62 115.29 128.38 3n99 s HIS 170 Ca 0.02 0.23 -0.00 0.00 -0.15 0.00 0.00 55.06 55.16 3n99 s HIS 170 Cb -0.14 -2.16 0.02 0.00 1.11 0.00 0.00 32.58 31.41 3n99 s HIS 170 CO 0.02 0.21 -0.05 0.08 -0.85 0.00 0.00 174.74 174.15 3n99 s VAL 171 N 0.50 0.74 0.13 -0.90 1.01 -0.67 -2.28 120.40 118.93 3n99 s VAL 171 Ca 0.07 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 3n99 s VAL 171 Cb -0.12 -0.80 -0.08 0.00 0.00 0.00 0.00 36.38 35.39 3n99 s VAL 171 CO -0.00 0.31 1.29 -2.84 0.00 0.00 0.00 175.10 173.86 3n99 s PRO 172 N 1.60 4.39 0.01 2.72 0.02 -1.26 -0.38 135.00 142.11 3n99 s PRO 172 Ca 0.01 1.96 -0.01 0.00 0.02 0.00 0.00 61.00 62.99 3n99 s PRO 172 Cb -0.13 -3.26 -0.02 0.00 0.02 0.00 0.00 34.50 31.12 3n99 s PRO 172 CO -0.05 -0.29 -0.01 0.14 -0.33 0.00 0.00 177.00 176.46 3n99 s VAL 173 N 0.67 0.09 -0.24 3.83 -7.23 -0.58 -4.85 120.40 112.10 3n99 s VAL 173 Ca 0.59 -0.76 0.18 0.00 -1.81 0.00 0.00 61.98 60.18 3n99 s VAL 173 Cb -0.34 -0.24 0.13 0.00 0.56 0.00 0.00 36.38 36.49 3n99 s VAL 173 CO 0.33 -0.42 1.44 -0.37 -0.31 0.00 0.00 175.10 175.77 3n99 h VAL 174 N 4.69 0.56 -3.05 1.32 -1.51 -1.30 -1.00 116.25 115.95 3n99 h VAL 174 Ca -0.31 -1.80 -0.07 0.00 -1.23 0.00 0.00 66.70 63.29 3n99 h VAL 174 Cb 1.21 2.24 -0.16 0.00 -2.13 0.00 0.00 31.29 32.45 3n99 h VAL 174 CO 0.42 0.32 -0.07 0.00 -1.23 0.00 0.00 177.57 177.01 3n99 s ALA 175 N -3.05 -1.06 -0.21 5.19 0.00 -1.26 -4.68 121.76 116.69 3n99 s ALA 175 Ca 0.04 0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.29 3n99 s ALA 175 Cb 0.07 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.64 3n99 s ALA 175 CO 0.73 -0.51 -0.13 0.15 0.00 0.00 0.00 175.76 176.01 3n99 s LYS 176 N -2.74 2.95 -0.21 0.00 1.02 -1.26 -1.12 119.74 118.37 3n99 s LYS 176 Ca -0.04 -0.88 -0.08 0.00 0.02 0.00 0.00 55.97 54.99 3n99 s LYS 176 Cb -0.00 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 3n99 s LYS 176 CO -0.04 -0.29 0.08 0.42 -0.92 0.00 0.00 175.35 174.59 3n99 s ILE 177 N 1.32 4.70 0.67 2.17 1.01 0.42 -4.93 121.20 126.55 3n99 s ILE 177 Ca 0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 3n99 s ILE 177 Cb -0.15 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3n99 s ILE 177 CO -0.08 0.41 1.08 -2.84 0.00 0.00 0.00 174.94 173.51 3n99 s PRO 178 N 0.85 2.86 0.28 2.79 0.02 -1.26 -0.40 135.00 140.14 3n99 s PRO 178 Ca 0.04 1.21 0.02 0.00 0.02 0.00 0.00 61.00 62.29 3n99 s PRO 178 Cb -0.14 -1.97 0.66 0.00 0.02 0.00 0.00 34.50 33.07 3n99 s PRO 178 CO 0.02 -1.18 1.73 0.00 -0.33 0.00 0.00 177.00 177.25 3n99 h ALA 179 N -0.24 1.41 0.00 -1.55 0.00 -1.86 -1.80 119.26 115.22 3n99 h ALA 179 Ca -0.46 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3n99 h ALA 179 Cb 1.23 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3n99 h ALA 179 CO 0.55 -0.21 0.00 -2.39 0.00 0.00 0.00 179.25 177.20 3n99 n HIS 180 N -4.94 0.32 1.42 0.00 1.44 -1.26 -1.31 115.22 110.89 3n99 n HIS 180 Ca 0.20 0.12 0.13 0.00 -2.01 0.00 0.00 57.72 56.16 3n99 n HIS 180 Cb 0.56 -0.69 0.48 0.00 0.12 0.00 0.00 29.99 30.46 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 -1.79 1.70 -3.52 -1.40 2.00 -0.68 -4.86 117.12 108.58 3n99 n MET 181 Ca 0.04 -1.03 -0.38 0.00 0.00 0.00 0.00 57.70 56.33 3n99 n MET 181 Cb 0.23 -1.46 -0.06 0.00 0.00 0.00 0.00 33.22 31.93 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 3.89 0.00 0.03 -1.94 -0.43 -0.11 119.30 118.80 3n99 s MET 182 Ca 0.37 0.39 0.00 0.00 -1.71 0.00 0.00 55.69 54.73 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 0.69 0.00 0.41 -0.01 0.00 0.00 175.02 176.43 3n99 n GLY 183 N 1.79 3.72 3.61 -0.03 0.00 0.26 -4.86 105.19 109.68 3n99 n GLY 183 Ca -0.14 -0.44 -0.50 0.00 0.00 0.00 0.00 46.02 44.94 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 1.93 0.00 1.61 2.88 -0.24 -2.14 113.62 117.65 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 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.21 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 2.56 2.58 3.63 0.46 0.00 -1.26 -0.95 105.19 112.22 3n99 n GLY 185 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.75 0.30 0.00 -0.61 5.41 -0.91 -1.46 119.36 121.33 3n99 n ILE 186 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.68 3n99 n ILE 186 Cb 0.00 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 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 2.69 0.07 3.63 7.39 0.00 0.08 -5.00 105.19 114.04 3n99 n GLY 187 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 0.28 -0.26 4.61 0.00 -0.54 -4.71 120.51 117.88 3n99 n ALA 188 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 3n99 n ALA 188 Cb 0.00 -2.13 0.19 0.00 0.00 0.00 0.00 19.45 17.52 3n99 n ALA 188 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3n99 h SER 189 N 0.59 0.96 -3.27 0.00 0.87 -1.92 -2.06 113.55 108.71 3n99 h SER 189 Ca -0.48 -0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 59.81 3n99 h SER 189 Cb 1.36 -0.24 -0.32 0.00 -0.44 0.00 0.00 62.40 62.76 3n99 h SER 189 CO 0.51 0.72 -0.56 -0.55 -0.53 0.00 0.00 176.83 176.42 3n99 s SER 190 N -6.30 0.03 0.03 6.23 0.15 -1.26 -3.55 113.70 109.02 3n99 s SER 190 Ca -0.12 0.42 0.07 0.00 0.70 0.00 0.00 55.95 57.02 3n99 s SER 190 Cb 0.18 0.34 0.30 0.00 -1.71 0.00 0.00 66.02 65.13 3n99 s SER 190 CO 0.80 -0.18 1.21 -1.54 1.20 0.00 0.00 173.24 174.72 3n99 n SER 191 N 4.54 0.06 0.02 5.45 3.41 0.04 -2.43 113.62 124.71 3n99 n SER 191 Ca -0.20 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.05 3n99 n SER 191 Cb 0.52 -0.53 0.52 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.53 2.13 -1.45 7.33 0.00 -1.26 -4.19 120.51 121.54 3n99 n ALA 192 Ca 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.40 3n99 n ALA 192 Cb 0.06 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.61 0.57 -3.60 0.00 3.41 -1.02 -4.14 113.62 107.22 3n99 n SER 193 Ca 0.06 -1.96 -0.10 0.00 -0.26 0.00 0.00 58.87 56.61 3n99 n SER 193 Cb 0.30 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.58 0.01 0.56 6.66 -1.32 -1.25 -4.60 115.64 115.11 3n99 s THR 194 Ca 0.06 -0.43 0.05 0.00 -1.21 0.00 0.00 61.69 60.15 3n99 s THR 194 Cb 0.05 -1.37 0.06 0.00 -1.51 0.00 0.00 72.50 69.73 3n99 s THR 194 CO 0.01 -0.04 0.77 1.51 -2.21 0.00 0.00 174.62 174.65 3n99 s ASP 195 N -2.82 5.14 0.09 8.08 -4.77 -1.26 -4.67 116.67 116.47 3n99 s ASP 195 Ca 0.05 -0.42 -0.09 0.00 -3.30 0.00 0.00 52.55 48.80 3n99 s ASP 195 Cb -0.02 -0.33 -0.00 0.00 -1.09 0.00 0.00 42.92 41.48 3n99 s ASP 195 CO -0.06 -1.24 0.21 -0.72 0.70 0.00 0.00 175.17 174.06 3n99 s TYR 196 N -2.70 0.15 -0.12 2.11 -0.00 -0.54 -4.70 117.35 111.55 3n99 s TYR 196 Ca 0.60 -0.57 -0.13 0.00 -0.00 0.00 0.00 57.07 56.96 3n99 s TYR 196 Cb -0.08 -0.04 -0.05 0.00 -0.00 0.00 0.00 41.96 41.79 3n99 s TYR 196 CO 0.38 -0.56 0.31 -0.51 -0.00 0.00 0.00 175.55 175.17 3n99 s ASP 197 N -2.86 6.53 -0.37 -0.18 1.11 -0.12 0.25 116.67 121.01 3n99 s ASP 197 Ca 0.06 0.62 -0.29 0.00 0.18 0.00 0.00 52.55 53.12 3n99 s ASP 197 Cb 0.05 -2.19 0.01 0.00 1.07 0.00 0.00 42.92 41.86 3n99 s ASP 197 CO -0.10 0.18 1.21 -0.63 1.18 0.00 0.00 175.17 177.01 3n99 s ILE 198 N -0.06 4.22 -0.48 0.77 1.01 -0.10 -0.57 121.20 125.99 3n99 s ILE 198 Ca 0.18 1.34 -0.02 0.00 0.00 0.00 0.00 60.65 62.15 3n99 s ILE 198 Cb -0.14 -4.36 0.22 0.00 0.01 0.00 0.00 42.46 38.20 3n99 s ILE 198 CO 0.06 -0.67 2.26 1.15 0.00 0.00 0.00 174.94 177.75 3n99 n MET 199 N 7.45 2.25 -3.20 2.79 0.00 0.85 -2.76 117.12 124.51 3n99 n MET 199 Ca 0.13 -2.33 -0.40 0.00 0.00 0.00 0.00 57.70 55.11 3n99 n MET 199 Cb 0.48 -1.97 -0.06 0.00 0.00 0.00 0.00 33.22 31.66 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 -2.39 3.55 0.31 3.17 0.00 -1.26 -4.88 121.76 120.26 3n99 s ALA 200 Ca 0.48 -0.38 0.17 0.00 0.00 0.00 0.00 51.96 52.23 3n99 s ALA 200 Cb 0.36 -2.88 0.82 0.00 0.00 0.00 0.00 23.12 21.42 3n99 s ALA 200 CO -0.12 -0.53 1.83 1.03 0.00 0.00 0.00 175.76 177.98 3n99 h SER 201 N 7.55 0.00 -4.69 0.00 0.87 -1.89 -3.44 113.55 111.95 3n99 h SER 201 Ca -0.32 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.08 3n99 h SER 201 Cb 1.15 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.89 3n99 h SER 201 CO 0.75 0.34 -0.56 0.20 -0.53 0.00 0.00 176.83 177.03 3n99 s ASN 202 N -6.63 0.04 0.47 6.23 0.01 -1.26 -5.03 114.94 108.78 3n99 s ASN 202 Ca -0.02 -0.17 0.14 0.00 -0.71 0.00 0.00 52.86 52.10 3n99 s ASN 202 Cb 0.13 0.19 1.11 0.00 0.41 0.00 0.00 41.25 43.09 3n99 s ASN 202 CO 0.69 -0.27 2.08 1.55 -1.51 0.00 0.00 177.10 179.64 3n99 h PRO 203 N 4.77 0.23 -0.14 -0.60 0.13 -1.86 -1.54 132.00 133.00 3n99 h PRO 203 Ca -0.30 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.77 3n99 h PRO 203 Cb 1.20 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3n99 h PRO 203 CO 0.41 0.15 -0.14 0.93 -0.23 0.00 0.00 178.00 179.13 3n99 h GLU 204 N 0.24 0.21 -0.00 0.86 3.07 -1.84 0.63 114.58 117.75 3n99 h GLU 204 Ca 0.12 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3n99 h GLU 204 Cb 0.17 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3n99 h GLU 204 CO -0.02 0.37 0.09 -0.44 -1.40 0.00 0.00 179.01 177.60 3n99 h ASP 205 N 0.20 0.00 -0.28 1.42 3.32 -1.58 0.54 116.42 120.04 3n99 h ASP 205 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3n99 h ASP 205 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3n99 h ASP 205 CO 0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 3n99 n LEU 206 N -3.03 3.13 -1.19 1.55 4.77 0.20 -4.97 117.00 117.46 3n99 n LEU 206 Ca -0.03 -1.40 -0.08 0.00 -0.03 0.00 0.00 56.01 54.46 3n99 n LEU 206 Cb 0.15 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3n99 n LEU 206 CO 0.18 0.65 -0.03 0.61 -1.33 0.00 0.00 177.39 177.47 3n99 n GLY 207 N 1.25 0.16 3.18 -0.72 0.00 0.18 -4.85 105.19 104.39 3n99 n GLY 207 Ca 0.16 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.66 0.96 0.21 1.61 -7.23 -1.16 -5.02 120.40 107.11 3n99 s VAL 208 Ca 0.08 -1.64 0.12 0.00 -1.81 0.00 0.00 61.98 58.73 3n99 s VAL 208 Cb -0.04 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 3n99 s VAL 208 CO 0.10 -0.55 1.57 0.00 -0.31 0.00 0.00 175.10 175.91 3n99 h ALA 209 N 3.57 0.86 -2.64 1.32 0.00 -1.96 -3.05 119.26 117.37 3n99 h ALA 209 Ca -0.37 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 53.89 3n99 h ALA 209 Cb 1.19 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 3n99 h ALA 209 CO 0.53 0.79 -0.14 0.34 0.00 0.00 0.00 179.25 180.77 3n99 s ASP 210 N -6.73 -0.20 -0.03 0.00 2.15 -1.26 -4.81 116.67 105.79 3n99 s ASP 210 Ca -0.00 -0.25 0.01 0.00 0.43 0.00 0.00 52.55 52.74 3n99 s ASP 210 Cb 0.12 0.43 0.02 0.00 -0.30 0.00 0.00 42.92 43.18 3n99 s ASP 210 CO 0.76 -0.76 -0.05 -0.22 -0.17 0.00 0.00 175.17 174.73 3n99 s LEU 211 N -2.49 1.51 0.05 -1.34 2.96 -1.26 -5.02 118.68 113.09 3n99 s LEU 211 Ca -0.00 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 3n99 s LEU 211 Cb 0.01 -0.45 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 3n99 s LEU 211 CO -0.08 -0.01 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.36 3n99 s LYS 212 N 0.63 2.53 0.06 1.98 1.02 -1.26 -0.49 119.74 124.21 3n99 s LYS 212 Ca -0.09 -0.80 -0.34 0.00 0.02 0.00 0.00 55.97 54.77 3n99 s LYS 212 Cb -0.12 -2.52 -0.13 0.00 -0.52 0.00 0.00 37.83 34.55 3n99 s LYS 212 CO 0.00 0.57 1.73 1.28 -0.92 0.00 0.00 175.35 178.01 3n99 n LEU 213 N 0.99 3.38 0.00 3.17 4.77 0.47 -1.34 117.00 128.43 3n99 n LEU 213 Ca -0.13 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.88 3n99 n LEU 213 Cb 0.52 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 3n99 n LEU 213 CO 0.35 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3n99 n GLY 214 N 3.91 0.21 3.76 -0.72 0.00 0.55 -0.51 105.19 112.40 3n99 n GLY 214 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.18 5.53 -0.21 1.61 1.01 -0.45 -1.24 116.67 120.74 3n99 s ASP 215 Ca 0.00 2.44 -0.09 0.00 0.71 0.00 0.00 52.55 55.61 3n99 s ASP 215 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 3n99 s ASP 215 CO 0.00 -1.36 0.12 -0.63 0.21 0.00 0.00 175.17 173.51 3n99 s ILE 216 N -1.52 5.17 0.11 0.77 1.01 -0.34 -1.02 121.20 125.37 3n99 s ILE 216 Ca 0.72 0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.51 3n99 s ILE 216 Cb -0.32 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3n99 s ILE 216 CO 0.36 0.40 -0.11 0.68 0.00 0.00 0.00 174.94 176.28 3n99 s VAL 217 N 0.72 1.03 -0.04 2.92 -7.23 0.22 -1.07 120.40 116.95 3n99 s VAL 217 Ca 0.06 -1.73 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 3n99 s VAL 217 Cb -0.13 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 3n99 s VAL 217 CO 0.02 -0.58 0.19 0.00 -0.31 0.00 0.00 175.10 174.41 3n99 s ALA 218 N -2.59 3.91 -0.25 1.32 0.00 -0.28 -0.80 121.76 123.09 3n99 s ALA 218 Ca 0.08 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 3n99 s ALA 218 Cb -0.02 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.18 3n99 s ALA 218 CO 0.00 0.69 -0.06 0.42 0.00 0.00 0.00 175.76 176.82 3n99 s ILE 219 N -1.23 2.92 0.10 0.00 1.01 0.13 -0.43 121.20 123.69 3n99 s ILE 219 Ca 0.24 -0.98 -0.28 0.00 0.00 0.00 0.00 60.65 59.62 3n99 s ILE 219 Cb -0.13 -2.47 -0.06 0.00 0.01 0.00 0.00 42.46 39.81 3n99 s ILE 219 CO 0.14 0.21 0.89 -1.10 0.00 0.00 0.00 174.94 175.08 3n99 s GLN 220 N 1.34 4.64 -1.17 2.79 -0.21 0.46 -1.66 119.66 125.85 3n99 s GLN 220 Ca 0.01 1.31 0.00 0.00 0.02 0.00 0.00 55.36 56.70 3n99 s GLN 220 Cb -0.16 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.49 3n99 s GLN 220 CO -0.04 0.28 0.00 -0.25 -2.12 0.00 0.00 175.29 173.16 3n99 n ASP 221 N 2.63 -4.20 -4.34 5.90 8.00 0.02 -2.60 116.55 121.95 3n99 n ASP 221 Ca 0.00 0.18 -0.32 0.00 0.71 0.00 0.00 54.79 55.36 3n99 n ASP 221 Cb 0.49 -3.00 -0.15 0.00 -0.02 0.00 0.00 41.12 38.45 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 -2.50 2.57 -0.15 1.24 3.76 -1.24 -0.84 115.29 118.13 3n99 s HIS 222 Ca 0.00 -0.55 -0.06 0.00 -0.15 0.00 0.00 55.06 54.30 3n99 s HIS 222 Cb 0.00 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 3n99 s HIS 222 CO 0.00 -0.10 0.07 0.34 -0.85 0.00 0.00 174.74 174.20 3n99 s ASP 223 N -0.24 5.75 -0.16 1.40 2.15 0.13 -3.46 116.67 122.24 3n99 s ASP 223 Ca -0.00 0.19 0.16 0.00 0.43 0.00 0.00 52.55 53.33 3n99 s ASP 223 Cb -0.13 -1.89 0.44 0.00 -0.30 0.00 0.00 42.92 41.04 3n99 s ASP 223 CO 0.03 0.28 1.19 0.59 -0.17 0.00 0.00 175.17 177.09 3n99 n ASN 224 N 2.85 1.88 -0.19 -0.34 3.02 -1.26 -2.01 115.26 119.22 3n99 n ASN 224 Ca -0.18 -3.12 -0.09 0.00 -0.03 0.00 0.00 54.58 51.17 3n99 n ASN 224 Cb 0.53 -0.43 0.05 0.00 -0.61 0.00 0.00 39.78 39.32 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 1.29 1.01 0.00 6.41 0.02 -1.95 -3.42 113.55 116.91 3n99 h SER 225 Ca -0.04 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3n99 h SER 225 Cb 1.38 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3n99 h SER 225 CO 0.14 1.07 0.00 -1.22 -1.14 0.00 0.00 176.83 175.69 3n99 n TYR 226 N -4.17 0.00 -1.70 3.45 4.01 -1.26 -4.93 117.16 112.56 3n99 n TYR 226 Ca 0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.47 3n99 n TYR 226 Cb 0.36 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.53 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 -1.39 1.62 -0.07 2.72 0.00 -1.23 -0.78 107.32 108.19 3n99 s GLY 227 Ca 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 44.72 43.85 3n99 s GLY 227 CO 0.00 -0.13 0.35 0.14 0.00 0.00 0.00 173.10 173.46 3n99 s VAL 228 N -3.48 5.19 0.00 1.40 1.01 -0.77 -4.48 120.40 119.27 3n99 s VAL 228 Ca 0.66 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3n99 s VAL 228 Cb -0.11 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3n99 s VAL 228 CO 0.52 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.74 3n99 n GLY 229 N 2.42 0.49 3.64 4.51 0.00 -1.23 -0.75 105.19 114.28 3n99 n GLY 229 Ca -0.13 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 -4.18 4.02 0.15 1.61 2.47 -0.85 -4.82 119.74 118.15 3n99 s LYS 230 Ca 0.00 1.70 -0.31 0.00 -1.56 0.00 0.00 55.97 55.80 3n99 s LYS 230 Cb 0.00 -3.92 -0.08 0.00 -1.46 0.00 0.00 37.83 32.37 3n99 s LYS 230 CO 0.00 -1.00 1.40 -0.47 0.16 0.00 0.00 175.35 175.43 3n99 s TYR 231 N 4.33 3.21 -0.27 4.03 5.04 -1.26 -0.69 117.35 131.73 3n99 s TYR 231 Ca 0.64 0.98 -0.11 0.00 -2.44 0.00 0.00 57.07 56.14 3n99 s TYR 231 Cb -0.24 -3.70 0.11 0.00 0.35 0.00 0.00 41.96 38.47 3n99 s TYR 231 CO 0.24 -2.42 0.61 0.50 -1.34 0.00 0.00 175.55 173.14 3n99 s ARG 232 N 0.75 0.57 0.07 4.97 3.52 -0.02 -4.91 118.95 123.90 3n99 s ARG 232 Ca 0.63 1.29 -0.31 0.00 -0.13 0.00 0.00 55.73 57.22 3n99 s ARG 232 Cb -0.38 0.55 -0.08 0.00 -1.56 0.00 0.00 34.95 33.48 3n99 s ARG 232 CO 0.33 -0.19 1.61 0.21 -0.81 0.00 0.00 175.30 176.44 3n99 s LYS 233 N 2.43 4.21 0.00 5.12 2.47 -1.26 -1.64 119.74 131.06 3n99 s LYS 233 Ca -0.07 2.28 0.00 0.00 -1.56 0.00 0.00 55.97 56.62 3n99 s LYS 233 Cb -0.10 -3.55 0.00 0.00 -1.46 0.00 0.00 37.83 32.72 3n99 s LYS 233 CO -0.18 -0.70 0.00 0.41 0.16 0.00 0.00 175.35 175.04 3n99 n GLY 234 N 3.92 1.69 3.79 5.54 0.00 -1.26 -5.03 105.19 113.84 3n99 n GLY 234 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.60 2.61 0.03 4.61 0.00 -0.65 0.54 121.76 126.29 3n99 s ALA 235 Ca 0.00 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 3n99 s ALA 235 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3n99 s ALA 235 CO 0.00 -1.10 0.12 0.54 0.00 0.00 0.00 175.76 175.32 3n99 s VAL 236 N -2.57 0.11 0.03 0.00 0.11 0.20 -0.80 120.40 117.49 3n99 s VAL 236 Ca 0.63 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 3n99 s VAL 236 Cb -0.17 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 3n99 s VAL 236 CO 0.43 -0.51 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.17 3n99 s SER 237 N -1.84 0.88 -0.04 3.54 0.01 -0.66 -1.90 113.70 113.67 3n99 s SER 237 Ca -0.09 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 56.78 3n99 s SER 237 Cb -0.04 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 3n99 s SER 237 CO -0.02 -0.12 -0.16 -0.63 0.41 0.00 0.00 173.24 172.72 3n99 s ILE 238 N -1.02 2.89 0.34 1.44 -1.09 0.12 0.18 121.20 124.06 3n99 s ILE 238 Ca -0.06 -0.79 -0.08 0.00 -2.23 0.00 0.00 60.65 57.49 3n99 s ILE 238 Cb -0.08 -2.12 0.02 0.00 -1.58 0.00 0.00 42.46 38.70 3n99 s ILE 238 CO 0.00 0.59 0.56 -0.83 -1.23 0.00 0.00 174.94 174.03 3n99 s GLY 239 N -0.71 1.02 -0.04 6.18 0.00 0.02 -0.44 107.32 113.36 3n99 s GLY 239 Ca 0.11 -1.20 0.07 0.00 0.00 0.00 0.00 44.72 43.70 3n99 s GLY 239 CO 0.00 -0.75 -0.25 0.14 0.00 0.00 0.00 173.10 172.25 3n99 s VAL 240 N -3.04 1.99 -0.02 1.40 1.01 -0.16 -0.61 120.40 120.98 3n99 s VAL 240 Ca 0.25 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 3n99 s VAL 240 Cb -0.02 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3n99 s VAL 240 CO 0.16 0.56 0.85 -0.69 0.00 0.00 0.00 175.10 175.98 3n99 s VAL 241 N -0.38 4.92 0.00 2.92 1.01 -0.19 -1.00 120.40 127.68 3n99 s VAL 241 Ca 0.03 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.80 3n99 s VAL 241 Cb -0.12 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3n99 s VAL 241 CO 0.01 0.22 0.00 1.33 0.00 0.00 0.00 175.10 176.66 3n99 n VAL 242 N 3.74 0.00 -3.95 2.92 0.24 0.33 -0.33 118.33 121.29 3n99 n VAL 242 Ca 0.02 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 62.02 3n99 n VAL 242 Cb 0.51 0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 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 -1.19 0.33 0.93 6.34 -3.43 -1.25 -4.55 115.29 112.46 3n99 s HIS 243 Ca 0.00 -0.68 -0.13 0.00 -0.80 0.00 0.00 55.06 53.45 3n99 s HIS 243 Cb 0.00 0.09 0.15 0.00 -1.43 0.00 0.00 32.58 31.39 3n99 s HIS 243 CO 0.00 -0.85 1.14 -1.54 -2.00 0.00 0.00 174.74 171.48 3n99 s SER 244 N -2.98 3.29 1.10 7.38 1.04 -0.62 -3.30 113.70 119.62 3n99 s SER 244 Ca 0.19 0.95 -0.14 0.00 0.48 0.00 0.00 55.95 57.43 3n99 s SER 244 Cb 0.01 -1.51 0.18 0.00 0.10 0.00 0.00 66.02 64.80 3n99 s SER 244 CO 0.03 -2.69 0.63 0.00 0.98 0.00 0.00 173.24 172.20 3n99 n ALA 245 N -3.85 -3.01 -2.63 5.32 0.00 0.65 -3.82 120.51 113.18 3n99 n ALA 245 Ca 0.07 -1.06 -0.10 0.00 0.00 0.00 0.00 53.44 52.34 3n99 n ALA 245 Cb 0.59 -1.85 -0.11 0.00 0.00 0.00 0.00 19.45 18.09 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 0.99 0.34 -3.09 0.00 0.24 -1.26 -4.74 118.33 110.80 3n99 n VAL 247 Ca -0.20 -0.43 -0.29 0.00 -2.04 0.00 0.00 64.34 61.38 3n99 n VAL 247 Cb 0.57 -0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 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 -4.68 6.46 0.29 -1.34 0.01 -1.24 -1.99 113.70 111.20 3n99 s SER 248 Ca -0.01 0.89 -0.30 0.00 1.31 0.00 0.00 55.95 57.85 3n99 s SER 248 Cb 0.12 -2.22 -0.11 0.00 0.21 0.00 0.00 66.02 64.02 3n99 s SER 248 CO 0.82 -0.31 1.54 0.00 0.41 0.00 0.00 173.24 175.69 3n99 s ALA 249 N -2.26 3.69 0.00 1.44 0.00 -1.26 -2.12 121.76 121.25 3n99 s ALA 249 Ca 0.47 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.92 3n99 s ALA 249 Cb -0.10 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3n99 s ALA 249 CO 0.32 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.58 3n99 n GLY 250 N 2.04 1.32 3.65 0.00 0.00 -1.26 -5.01 105.19 105.93 3n99 n GLY 250 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.02 2.71 -0.31 1.61 0.09 -0.90 -1.08 115.29 114.39 3n99 s HIS 251 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 55.06 54.85 3n99 s HIS 251 Cb 0.00 -1.21 0.00 0.00 -0.00 0.00 0.00 32.58 31.37 3n99 s HIS 251 CO 0.00 0.61 0.00 0.41 -0.00 0.00 0.00 174.74 175.76 3n99 n GLY 252 N -0.82 -1.07 3.65 -2.22 0.00 -1.22 -4.44 105.19 99.08 3n99 n GLY 252 Ca -0.07 -0.77 -0.47 0.00 0.00 0.00 0.00 46.02 44.71 3n99 n GLY 252 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n99 n PRO 253 N 0.00 1.89 -2.59 1.61 -0.02 -1.11 -4.34 135.00 130.44 3n99 n PRO 253 Ca 0.00 0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 61.85 3n99 n PRO 253 Cb 0.00 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.05 3n99 n PRO 253 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3n99 s GLY 254 N 0.70 1.96 -0.06 -1.23 0.00 -1.21 -0.92 107.32 106.57 3n99 s GLY 254 Ca 0.78 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 45.48 3n99 s GLY 254 CO 0.42 0.19 -0.11 0.14 0.00 0.00 0.00 173.10 173.73 3n99 s VAL 255 N -2.54 1.06 -0.23 1.40 1.01 0.14 -0.51 120.40 120.73 3n99 s VAL 255 Ca 0.55 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 3n99 s VAL 255 Cb -0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3n99 s VAL 255 CO 0.33 0.33 0.12 -0.69 0.00 0.00 0.00 175.10 175.20 3n99 s VAL 256 N 0.58 5.06 0.17 2.92 1.01 -0.17 -1.46 120.40 128.51 3n99 s VAL 256 Ca -0.12 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3n99 s VAL 256 Cb -0.15 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 3n99 s VAL 256 CO 0.03 0.37 1.13 -0.69 0.00 0.00 0.00 175.10 175.93 3n99 s VAL 257 N 1.02 3.82 -0.10 2.92 1.01 -1.26 -0.99 120.40 126.82 3n99 s VAL 257 Ca 0.06 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.61 3n99 s VAL 257 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3n99 s VAL 257 CO 0.04 0.25 0.11 2.30 0.00 0.00 0.00 175.10 177.80 3n99 n ILE 258 N 2.54 0.00 -3.63 2.22 -5.35 0.41 -4.43 119.36 111.12 3n99 n ILE 258 Ca 0.04 -0.31 -0.15 0.00 -0.27 0.00 0.00 62.75 62.06 3n99 n ILE 258 Cb 0.46 0.81 -0.07 0.00 -1.74 0.00 0.00 39.64 39.09 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 -1.61 0.83 -0.07 6.28 0.00 -1.00 -1.50 119.30 122.23 3n99 s MET 259 Ca 0.00 0.78 -0.16 0.00 0.00 0.00 0.00 55.69 56.32 3n99 s MET 259 Cb 0.02 0.40 0.03 0.00 0.00 0.00 0.00 34.83 35.29 3n99 s MET 259 CO 0.13 -0.14 0.38 -0.08 0.00 0.00 0.00 175.02 175.31 3n99 s THR 260 N 0.03 0.03 -2.13 10.11 -1.32 -0.09 0.15 115.64 122.42 3n99 s THR 260 Ca -0.02 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 3n99 s THR 260 Cb -0.04 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 3n99 s THR 260 CO 0.03 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 3n99 n GLY 261 N 1.93 -0.62 3.79 6.08 0.00 -0.80 -0.96 105.19 114.62 3n99 n GLY 261 Ca -0.18 -0.84 -0.36 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 7.20 0.58 1.61 -1.08 -1.26 -0.63 116.67 119.10 3n99 s ASP 262 Ca 0.00 1.79 0.29 0.00 -0.52 0.00 0.00 52.55 54.10 3n99 s ASP 262 Cb 0.00 -2.57 1.76 0.00 -1.46 0.00 0.00 42.92 40.65 3n99 s ASP 262 CO 0.00 -0.17 2.24 1.05 0.52 0.00 0.00 175.17 178.81 3n99 h GLU 263 N 2.75 0.00 0.00 4.34 4.11 -0.14 -0.11 114.58 125.53 3n99 h GLU 263 Ca -0.48 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.95 3n99 h GLU 263 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3n99 h GLU 263 CO 0.64 0.01 -0.03 0.66 0.07 0.00 0.00 179.01 180.36 3n99 h SER 264 N 0.00 0.00 0.00 3.06 4.64 -1.93 -3.27 113.55 116.05 3n99 h SER 264 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3n99 h SER 264 Cb 0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3n99 h SER 264 CO 0.00 0.03 -1.55 0.29 -0.87 0.00 0.00 176.83 174.73 3n99 n LYS 265 N -3.34 0.66 -4.14 4.77 4.76 -0.16 -4.85 118.16 115.86 3n99 n LYS 265 Ca -0.02 -0.09 -0.30 0.00 -2.87 0.00 0.00 58.31 55.03 3n99 n LYS 265 Cb 0.14 -1.27 -0.16 0.00 -1.84 0.00 0.00 35.03 31.90 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 -2.69 1.62 -0.33 -0.18 1.01 -0.59 0.55 121.20 120.58 3n99 s ILE 266 Ca -0.04 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3n99 s ILE 266 Cb 0.07 -1.51 0.10 0.00 0.01 0.00 0.00 42.46 41.13 3n99 s ILE 266 CO 0.46 0.47 0.04 -0.76 0.00 0.00 0.00 174.94 175.15 3n99 s LEU 267 N 1.35 4.51 0.37 2.97 1.43 0.20 -4.52 118.68 124.99 3n99 s LEU 267 Ca 0.02 -2.07 -0.26 0.00 -1.03 0.00 0.00 54.13 50.79 3n99 s LEU 267 Cb -0.13 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.43 3n99 s LEU 267 CO -0.09 -0.37 1.09 -2.84 0.23 0.00 0.00 176.35 174.37 3n99 s PRO 268 N 0.96 4.25 -0.10 1.29 0.02 -1.26 -1.67 135.00 138.50 3n99 s PRO 268 Ca 0.10 1.66 -0.00 0.00 0.02 0.00 0.00 61.00 62.77 3n99 s PRO 268 Cb -0.19 -2.73 0.02 0.00 0.02 0.00 0.00 34.50 31.62 3n99 s PRO 268 CO -0.09 -0.10 -0.06 -1.21 -0.33 0.00 0.00 177.00 175.21 3n99 s GLU 269 N -2.19 1.36 0.29 5.54 2.02 0.49 -4.85 118.70 121.37 3n99 s GLU 269 Ca 0.54 -0.19 -0.29 0.00 0.02 0.00 0.00 54.97 55.05 3n99 s GLU 269 Cb -0.27 -1.46 -0.10 0.00 0.10 0.00 0.00 34.13 32.40 3n99 s GLU 269 CO 0.33 -0.26 1.40 -2.00 0.02 0.00 0.00 175.26 174.75 3n99 s GLU 270 N 1.72 4.28 0.20 1.61 2.12 -1.25 -1.52 118.70 125.85 3n99 s GLU 270 Ca 0.04 2.30 -0.08 0.00 0.36 0.00 0.00 54.97 57.60 3n99 s GLU 270 Cb -0.13 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 3n99 s GLU 270 CO -0.07 -0.35 0.29 0.14 -0.54 0.00 0.00 175.26 174.73 3n99 s VAL 271 N -0.55 0.03 0.18 3.70 -7.23 -0.38 -4.85 120.40 111.30 3n99 s VAL 271 Ca 0.55 -1.58 0.06 0.00 -1.81 0.00 0.00 61.98 59.20 3n99 s VAL 271 Cb -0.42 -2.12 -0.13 0.00 0.56 0.00 0.00 36.38 34.27 3n99 s VAL 271 CO 0.49 -0.15 1.41 -0.33 -0.31 0.00 0.00 175.10 176.22 3n99 h GLU 272 N 2.50 0.07 -3.38 4.82 5.08 -1.93 -3.39 114.58 118.34 3n99 h GLU 272 Ca -0.31 -0.08 -0.29 0.00 -1.00 0.00 0.00 59.36 57.68 3n99 h GLU 272 Cb 1.24 0.02 -0.34 0.00 0.50 0.00 0.00 28.75 30.17 3n99 h GLU 272 CO 0.46 0.87 -0.68 0.50 -1.00 0.00 0.00 179.01 179.15 3n99 s ARG 273 N -3.16 0.00 -0.29 2.33 3.52 -1.26 -4.96 118.95 115.12 3n99 s ARG 273 Ca -0.01 0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.92 3n99 s ARG 273 Cb 0.11 -0.26 0.17 0.00 -1.56 0.00 0.00 34.95 33.41 3n99 s ARG 273 CO 0.81 -0.20 0.46 0.00 -0.81 0.00 0.00 175.30 175.55 3n99 s ALA 274 N 1.33 -1.50 -0.12 6.12 0.00 -1.26 -4.95 121.76 121.38 3n99 s ALA 274 Ca -0.07 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 3n99 s ALA 274 Cb -0.12 -2.21 0.05 0.00 0.00 0.00 0.00 23.12 20.84 3n99 s ALA 274 CO -0.04 -1.79 0.27 1.21 0.00 0.00 0.00 175.76 175.40 3n99 s ASN 275 N 2.57 -0.15 0.64 0.00 3.84 -1.26 -1.20 114.94 119.37 3n99 s ASN 275 Ca 0.10 0.58 0.42 0.00 0.21 0.00 0.00 52.86 54.17 3n99 s ASN 275 Cb -0.12 0.52 2.21 0.00 -0.55 0.00 0.00 41.25 43.31 3n99 s ASN 275 CO -0.28 -0.19 2.28 0.16 -2.79 0.00 0.00 177.10 176.29 3n99 h ILE 276 N 5.94 0.00 0.00 -5.21 3.07 -1.52 -2.26 117.51 117.53 3n99 h ILE 276 Ca -0.34 -0.10 -0.02 0.00 1.55 0.00 0.00 64.86 65.95 3n99 h ILE 276 Cb 1.15 1.08 -0.00 0.00 -0.27 0.00 0.00 36.82 38.78 3n99 h ILE 276 CO 0.31 0.00 -0.09 0.77 -1.05 0.00 0.00 178.15 178.09 3n99 h SER 277 N 0.00 0.00 0.53 2.16 4.64 -1.90 -2.45 113.55 116.53 3n99 h SER 277 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3n99 h SER 277 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3n99 h SER 277 CO 0.00 0.09 -0.09 0.44 -0.87 0.00 0.00 176.83 176.40 3n99 h ASP 278 N 0.00 0.00 -0.33 4.97 3.32 -1.82 -2.92 116.42 119.64 3n99 h ASP 278 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n99 h ASP 278 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3n99 h ASP 278 CO 0.01 0.09 0.00 -1.22 -1.72 0.00 0.00 179.24 176.40 3n99 n TYR 279 N -3.41 0.87 -1.13 4.55 4.01 -0.92 -5.16 117.16 115.97 3n99 n TYR 279 Ca -0.01 -0.72 0.00 0.00 -0.16 0.00 0.00 57.90 57.01 3n99 n TYR 279 Cb 0.25 -0.22 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