#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1saw s SER 7 N 0.00 6.85 0.17 0.00 1.04 -1.26 -5.08 113.70 115.42 1saw s SER 7 Ca 0.00 1.01 0.03 0.00 0.48 0.00 0.00 55.95 57.47 1saw s SER 7 Cb 0.00 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 1saw s SER 7 CO 0.00 -0.01 0.30 0.00 0.98 0.00 0.00 173.24 174.51 1saw s ARG 8 N 0.48 3.44 0.36 4.02 1.70 -1.26 -5.09 118.95 122.60 1saw s ARG 8 Ca 0.31 -0.63 -0.25 0.00 -0.47 0.00 0.00 55.73 54.68 1saw s ARG 8 Cb -0.17 -2.94 -0.09 0.00 -0.57 0.00 0.00 34.95 31.18 1saw s ARG 8 CO 0.14 0.50 1.02 -1.25 -1.08 0.00 0.00 175.30 174.63 1saw s PRO 9 N -3.41 4.36 0.56 3.89 0.04 -1.26 -4.93 135.00 134.25 1saw s PRO 9 Ca 0.34 1.50 0.32 0.00 0.04 0.00 0.00 61.00 63.20 1saw s PRO 9 Cb -0.11 -2.72 1.63 0.00 0.04 0.00 0.00 34.50 33.34 1saw s PRO 9 CO 0.29 0.04 2.12 -0.07 0.04 0.00 0.00 177.00 179.41 1saw h LEU 10 N 2.90 0.00 -1.00 -3.56 3.38 -1.98 -2.00 115.31 113.05 1saw h LEU 10 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1saw h LEU 10 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1saw h LEU 10 CO 0.64 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 177.70 1saw n SER 11 N -3.44 0.48 -1.24 -0.43 3.41 -1.26 -1.94 113.62 109.20 1saw n SER 11 Ca -0.02 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1saw n SER 11 Cb 0.22 -0.77 0.12 0.00 -0.26 0.00 0.00 64.21 63.52 1saw n SER 11 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1saw n ARG 12 N -2.11 1.54 -0.09 4.33 1.74 -0.75 -4.50 116.66 116.81 1saw n ARG 12 Ca -0.00 -3.14 0.16 0.00 -0.77 0.00 0.00 57.85 54.09 1saw n ARG 12 Cb 0.08 -1.32 0.56 0.00 -1.02 0.00 0.00 32.46 30.76 1saw n ARG 12 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1saw h PHE 13 N 1.33 0.32 0.00 -1.55 -5.15 -1.39 0.11 116.94 110.61 1saw h PHE 13 Ca -0.01 0.01 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 1saw h PHE 13 Cb 1.34 -0.10 -0.00 0.00 0.22 0.00 0.00 35.95 37.40 1saw h PHE 13 CO 0.61 0.14 -0.06 0.11 -2.00 0.00 0.00 178.31 177.10 1saw h TRP 14 N 0.29 0.00 -0.09 6.09 0.09 -1.89 0.33 115.95 120.77 1saw h TRP 14 Ca 0.30 0.00 -0.18 0.00 0.09 0.00 0.00 58.89 59.10 1saw h TRP 14 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.03 1saw h TRP 14 CO -0.00 0.06 -0.71 0.93 0.09 0.00 0.00 178.44 178.81 1saw h GLU 15 N 0.00 0.43 0.00 0.12 5.08 -1.18 -3.38 114.58 115.65 1saw h GLU 15 Ca -0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1saw h GLU 15 Cb 0.18 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1saw h GLU 15 CO 0.01 0.97 -0.12 -2.67 -1.00 0.00 0.00 179.01 176.20 1saw n TRP 16 N -3.85 0.00 -1.98 4.33 4.27 -1.08 -5.05 117.44 114.07 1saw n TRP 16 Ca -0.04 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.15 1saw n TRP 16 Cb 0.70 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.62 1saw n TRP 16 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1saw s GLY 17 N -1.00 2.30 -0.03 -1.67 0.00 0.11 -4.93 107.32 102.10 1saw s GLY 17 Ca 0.00 1.36 -0.08 0.00 0.00 0.00 0.00 44.72 45.99 1saw s GLY 17 CO 0.00 2.31 0.72 0.50 0.00 0.00 0.00 173.10 176.64 1saw h LYS 18 N 5.00 0.35 -5.37 2.90 1.57 -1.86 -3.45 116.57 115.72 1saw h LYS 18 Ca -0.46 -0.60 -0.45 0.00 -1.87 0.00 0.00 60.65 57.27 1saw h LYS 18 Cb 1.22 0.22 -0.24 0.00 0.08 0.00 0.00 32.23 33.51 1saw h LYS 18 CO 0.78 1.25 -0.79 -0.80 -0.57 0.00 0.00 179.45 179.32 1saw s ASN 19 N -7.19 1.71 -0.08 0.86 0.01 -1.26 -3.95 114.94 105.03 1saw s ASN 19 Ca -0.14 -0.49 0.02 0.00 -0.71 0.00 0.00 52.86 51.54 1saw s ASN 19 Cb 0.06 -0.10 0.01 0.00 0.41 0.00 0.00 41.25 41.63 1saw s ASN 19 CO 0.86 0.02 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.70 1saw s ILE 20 N -0.92 1.26 -0.09 0.60 1.01 -1.23 -2.28 121.20 119.55 1saw s ILE 20 Ca 0.01 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.18 1saw s ILE 20 Cb -0.08 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 1saw s ILE 20 CO 0.01 0.39 -0.24 -0.69 0.00 0.00 0.00 174.94 174.41 1saw s VAL 21 N 0.82 2.04 0.07 2.92 1.01 -0.25 -2.34 120.40 124.66 1saw s VAL 21 Ca -0.11 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 60.94 1saw s VAL 21 Cb -0.15 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1saw s VAL 21 CO 0.02 0.56 -0.26 0.00 0.00 0.00 0.00 175.10 175.42 1saw s VAL 23 N -0.88 5.22 0.00 0.00 1.01 -0.55 -2.15 120.40 123.05 1saw s VAL 23 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1saw s VAL 23 Cb -0.10 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1saw s VAL 23 CO 0.03 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1saw n GLY 24 N 1.13 0.99 3.47 4.51 0.00 -0.69 -3.80 105.19 110.79 1saw n GLY 24 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1saw n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1saw s ARG 25 N 0.00 3.16 -0.07 1.61 3.00 -1.26 -4.40 118.95 120.99 1saw s ARG 25 Ca 0.00 -0.74 0.11 0.00 0.00 0.00 0.00 55.73 55.09 1saw s ARG 25 Cb 0.00 -4.05 0.16 0.00 0.00 0.00 0.00 34.95 31.06 1saw s ARG 25 CO 0.00 -1.15 1.05 -1.71 0.00 0.00 0.00 175.30 173.49 1saw n ASN 26 N 6.19 1.70 -4.33 0.23 5.15 -1.26 -4.91 115.26 118.03 1saw n ASN 26 Ca -0.05 -2.54 -0.20 0.00 -0.60 0.00 0.00 54.58 51.19 1saw n ASN 26 Cb 0.46 -0.28 -0.10 0.00 -0.53 0.00 0.00 39.78 39.33 1saw n ASN 26 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1saw s TYR 27 N -1.80 1.75 0.00 1.20 1.51 -1.26 -1.90 117.35 116.84 1saw s TYR 27 Ca 0.18 -1.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.13 1saw s TYR 27 Cb 0.16 -1.09 0.00 0.00 -0.11 0.00 0.00 41.96 40.92 1saw s TYR 27 CO 0.02 -0.20 0.00 0.00 -1.11 0.00 0.00 175.55 174.26 1saw n ALA 28 N -0.61 0.00 -0.04 3.71 0.00 -1.26 -4.94 120.51 117.37 1saw n ALA 28 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1saw n ALA 28 Cb 0.66 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.98 1saw n ALA 28 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1saw n SER 40 N 0.00 2.03 -4.24 0.00 3.41 -1.26 -4.98 113.62 108.58 1saw n SER 40 Ca 0.00 0.28 -0.21 0.00 -0.26 0.00 0.00 58.87 58.69 1saw n SER 40 Cb 0.00 -0.89 -0.12 0.00 -0.26 0.00 0.00 64.21 62.94 1saw n SER 40 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1saw s GLU 41 N -2.49 1.00 0.34 4.33 8.01 -1.26 -5.12 118.70 123.51 1saw s GLU 41 Ca -0.25 -1.11 -0.28 0.00 0.01 0.00 0.00 54.97 53.33 1saw s GLU 41 Cb 0.07 -1.09 -0.12 0.00 -4.31 0.00 0.00 34.13 28.67 1saw s GLU 41 CO 0.70 0.24 1.35 -2.30 0.01 0.00 0.00 175.26 175.26 1saw n PRO 42 N 1.01 2.25 -2.29 0.39 -0.02 -1.26 -5.00 135.00 130.09 1saw n PRO 42 Ca -0.19 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 1saw n PRO 42 Cb 0.55 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1saw n PRO 42 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1saw s VAL 43 N -0.96 3.40 -0.04 -1.45 1.01 -1.26 -4.98 120.40 116.12 1saw s VAL 43 Ca 0.56 1.16 0.07 0.00 0.00 0.00 0.00 61.98 63.77 1saw s VAL 43 Cb -0.55 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1saw s VAL 43 CO 0.61 0.17 -0.23 -0.76 0.00 0.00 0.00 175.10 174.89 1saw s LEU 44 N -0.12 2.19 0.28 3.92 1.43 -1.26 -1.71 118.68 123.40 1saw s LEU 44 Ca 0.55 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1saw s LEU 44 Cb -0.34 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1saw s LEU 44 CO 0.37 0.30 0.26 0.72 0.23 0.00 0.00 176.35 178.24 1saw s PHE 45 N -0.51 1.33 0.14 0.29 -0.12 -0.91 -5.01 117.98 113.19 1saw s PHE 45 Ca 0.07 -1.44 0.09 0.00 -0.05 0.00 0.00 56.93 55.60 1saw s PHE 45 Cb -0.11 -0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 41.74 1saw s PHE 45 CO 0.00 -0.83 -0.21 -0.51 -0.05 0.00 0.00 175.22 173.63 1saw s LEU 46 N -3.25 2.37 0.15 -1.99 1.43 -1.26 -0.69 118.68 115.45 1saw s LEU 46 Ca 0.37 -0.79 0.10 0.00 -1.03 0.00 0.00 54.13 52.79 1saw s LEU 46 Cb 0.04 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 1saw s LEU 46 CO 0.19 0.04 -0.19 -0.54 0.23 0.00 0.00 176.35 176.07 1saw s LYS 47 N -2.38 1.70 0.57 1.70 1.02 -0.99 -4.67 119.74 116.69 1saw s LYS 47 Ca 0.12 -1.32 -0.12 0.00 0.02 0.00 0.00 55.97 54.67 1saw s LYS 47 Cb -0.08 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.17 1saw s LYS 47 CO 0.06 0.44 0.98 -1.25 -0.92 0.00 0.00 175.35 174.66 1saw s PRO 48 N -2.42 3.69 0.47 -1.68 0.04 -1.26 -3.55 135.00 130.28 1saw s PRO 48 Ca 0.19 0.73 0.22 0.00 0.04 0.00 0.00 61.00 62.18 1saw s PRO 48 Cb -0.09 -2.14 1.23 0.00 0.04 0.00 0.00 34.50 33.53 1saw s PRO 48 CO 0.10 -0.43 1.90 0.66 0.04 0.00 0.00 177.00 179.27 1saw h SER 49 N 0.11 0.24 0.00 6.66 4.64 -1.87 0.29 113.55 123.61 1saw h SER 49 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1saw h SER 49 Cb 1.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1saw h SER 49 CO 0.62 0.10 0.00 0.35 -0.87 0.00 0.00 176.83 177.03 1saw n THR 50 N -4.42 0.00 0.23 2.95 -2.24 -1.26 -2.00 114.28 107.53 1saw n THR 50 Ca 0.16 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.04 1saw n THR 50 Cb 0.71 -0.64 0.50 0.00 -2.10 0.00 0.00 70.33 68.80 1saw n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1saw h ALA 51 N 3.44 1.07 -2.80 6.98 0.00 -1.14 -2.96 119.26 123.86 1saw h ALA 51 Ca 0.00 -0.20 -0.53 0.00 0.00 0.00 0.00 54.91 54.18 1saw h ALA 51 Cb 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 17.79 17.84 1saw h ALA 51 CO 0.00 0.27 0.91 0.66 0.00 0.00 0.00 179.25 181.09 1saw n TYR 52 N -3.46 2.89 -3.70 0.00 0.53 -0.85 -0.28 117.16 112.30 1saw n TYR 52 Ca -0.00 0.23 -0.30 0.00 -1.02 0.00 0.00 57.90 56.81 1saw n TYR 52 Cb 0.40 -2.61 -0.14 0.00 -1.03 0.00 0.00 39.34 35.95 1saw n TYR 52 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1saw s ALA 53 N 0.07 1.54 0.81 -0.72 0.00 -0.89 -4.52 121.76 118.05 1saw s ALA 53 Ca 0.64 -1.81 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 1saw s ALA 53 Cb -0.49 -1.65 0.08 0.00 0.00 0.00 0.00 23.12 21.06 1saw s ALA 53 CO 0.47 -1.77 1.14 -1.25 0.00 0.00 0.00 175.76 174.35 1saw s PRO 54 N 1.38 1.80 0.27 0.00 0.04 -1.26 -1.86 135.00 135.36 1saw s PRO 54 Ca 0.12 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 1saw s PRO 54 Cb -0.19 -1.82 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 1saw s PRO 54 CO -0.19 -2.03 1.15 -0.85 0.04 0.00 0.00 177.00 175.11 1saw n GLU 55 N -3.56 1.54 0.00 4.56 0.00 -1.16 -1.74 120.64 120.28 1saw n GLU 55 Ca 0.11 0.54 0.00 0.00 0.00 0.00 0.00 57.16 57.81 1saw n GLU 55 Cb 0.52 -2.02 0.00 0.00 0.00 0.00 0.00 31.44 29.94 1saw n GLU 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1saw n GLY 56 N 1.47 2.19 3.91 -1.84 0.00 -1.26 -5.07 105.19 104.59 1saw n GLY 56 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1saw n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1saw s SER 57 N 0.05 6.45 0.31 1.61 0.01 -0.71 -5.08 113.70 116.35 1saw s SER 57 Ca 0.00 0.53 -0.20 0.00 1.31 0.00 0.00 55.95 57.59 1saw s SER 57 Cb 0.00 -2.07 -0.09 0.00 0.21 0.00 0.00 66.02 64.07 1saw s SER 57 CO 0.00 0.01 0.82 -2.16 0.41 0.00 0.00 173.24 172.32 1saw s PRO 58 N -2.91 4.25 -0.13 12.44 0.04 -1.26 -4.66 135.00 142.77 1saw s PRO 58 Ca 0.40 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 1saw s PRO 58 Cb -0.12 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 1saw s PRO 58 CO 0.26 0.22 1.74 0.42 0.04 0.00 0.00 177.00 179.68 1saw s ILE 59 N -1.80 3.49 0.06 0.56 1.01 -0.23 -4.93 121.20 119.37 1saw s ILE 59 Ca 0.51 0.57 -0.14 0.00 0.00 0.00 0.00 60.65 61.60 1saw s ILE 59 Cb -0.14 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.82 1saw s ILE 59 CO 0.19 -0.14 0.46 -0.76 0.00 0.00 0.00 174.94 174.69 1saw s LEU 60 N 5.02 4.43 -0.24 2.97 1.43 -1.26 -0.87 118.68 130.16 1saw s LEU 60 Ca 0.77 0.99 -0.09 0.00 -1.03 0.00 0.00 54.13 54.78 1saw s LEU 60 Cb -0.31 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 1saw s LEU 60 CO 0.32 0.24 0.11 -0.32 0.23 0.00 0.00 176.35 176.92 1saw s MET 61 N -1.46 3.83 0.34 1.70 -2.45 -0.27 -4.85 119.30 116.15 1saw s MET 61 Ca 0.30 -0.39 -0.28 0.00 -1.25 0.00 0.00 55.69 54.06 1saw s MET 61 Cb -0.16 -3.41 -0.10 0.00 1.25 0.00 0.00 34.83 32.41 1saw s MET 61 CO 0.16 -0.08 1.22 -1.25 1.05 0.00 0.00 175.02 176.13 1saw s PRO 62 N 1.37 4.33 0.61 4.11 0.04 -1.26 -4.44 135.00 139.76 1saw s PRO 62 Ca 0.06 2.03 0.39 0.00 0.04 0.00 0.00 61.00 63.52 1saw s PRO 62 Cb -0.15 -2.99 1.92 0.00 0.04 0.00 0.00 34.50 33.33 1saw s PRO 62 CO 0.05 -0.14 2.19 0.00 0.04 0.00 0.00 177.00 179.14 1saw h ALA 63 N 3.27 1.01 -0.07 8.56 0.00 -2.00 -2.93 119.26 127.08 1saw h ALA 63 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1saw h ALA 63 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1saw h ALA 63 CO 0.65 0.00 0.00 2.48 0.00 0.00 0.00 179.25 182.38 1saw n TYR 64 N -3.10 0.08 -4.24 0.00 0.18 -1.26 -4.90 117.16 103.92 1saw n TYR 64 Ca -0.01 -0.04 -0.30 0.00 1.88 0.00 0.00 57.90 59.43 1saw n TYR 64 Cb 0.18 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.05 1saw n TYR 64 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1saw s THR 65 N -1.92 3.40 -0.08 -3.48 -1.32 -1.11 -4.93 115.64 106.20 1saw s THR 65 Ca 0.36 -1.24 0.12 0.00 -1.21 0.00 0.00 61.69 59.72 1saw s THR 65 Cb 0.20 -2.59 0.18 0.00 -1.51 0.00 0.00 72.50 68.79 1saw s THR 65 CO 0.31 0.12 1.08 -2.11 -2.21 0.00 0.00 174.62 171.81 1saw n ARG 66 N 0.74 1.05 -2.76 7.08 1.85 -1.26 -4.88 116.66 118.47 1saw n ARG 66 Ca -0.13 -2.02 -0.09 0.00 -1.00 0.00 0.00 57.85 54.60 1saw n ARG 66 Cb 0.52 -1.17 0.07 0.00 -1.05 0.00 0.00 32.46 30.83 1saw n ARG 66 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1saw n ASN 67 N -0.95 -2.42 -4.57 2.89 4.05 -1.26 -5.04 115.26 107.95 1saw n ASN 67 Ca 0.10 -3.50 -0.43 0.00 0.45 0.00 0.00 54.58 51.20 1saw n ASN 67 Cb 0.62 1.76 -0.04 0.00 1.23 0.00 0.00 39.78 43.34 1saw n ASN 67 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1saw s LEU 68 N -1.60 4.08 0.30 1.20 2.96 -1.26 -1.60 118.68 122.76 1saw s LEU 68 Ca 0.27 0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1saw s LEU 68 Cb 0.26 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 1saw s LEU 68 CO -0.13 -0.92 0.54 -1.00 -1.32 0.00 0.00 176.35 173.52 1saw s HIS 69 N 3.47 3.49 0.21 5.38 3.76 0.11 -1.00 115.29 130.72 1saw s HIS 69 Ca 0.35 0.53 -0.01 0.00 -0.15 0.00 0.00 55.06 55.77 1saw s HIS 69 Cb -0.11 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.51 1saw s HIS 69 CO 0.22 0.16 0.41 -3.38 -0.85 0.00 0.00 174.74 171.30 1saw s HIS 70 N -2.15 3.48 -0.22 1.40 -3.43 -0.69 -1.81 115.29 111.88 1saw s HIS 70 Ca 0.42 0.37 -0.04 0.00 -0.80 0.00 0.00 55.06 55.01 1saw s HIS 70 Cb -0.10 -1.87 0.10 0.00 -1.43 0.00 0.00 32.58 29.27 1saw s HIS 70 CO 0.32 0.35 0.24 -1.21 -2.00 0.00 0.00 174.74 172.45 1saw s GLU 71 N -3.38 0.22 -0.16 -0.38 2.02 -1.25 -4.10 118.70 111.67 1saw s GLU 71 Ca 0.39 0.19 -0.29 0.00 0.02 0.00 0.00 54.97 55.27 1saw s GLU 71 Cb -0.11 -1.10 -0.01 0.00 0.10 0.00 0.00 34.13 33.01 1saw s GLU 71 CO 0.29 -0.69 1.06 -1.17 0.02 0.00 0.00 175.26 174.77 1saw s LEU 72 N 2.34 4.19 -0.03 1.80 2.96 -1.26 -1.09 118.68 127.59 1saw s LEU 72 Ca 0.08 1.51 -0.04 0.00 -0.22 0.00 0.00 54.13 55.46 1saw s LEU 72 Cb -0.16 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.99 1saw s LEU 72 CO -0.15 -0.57 0.09 -1.61 -1.32 0.00 0.00 176.35 172.79 1saw s GLU 73 N 2.63 0.19 -0.05 1.98 2.02 -0.70 -4.01 118.70 120.76 1saw s GLU 73 Ca 0.48 -0.02 -0.30 0.00 0.02 0.00 0.00 54.97 55.15 1saw s GLU 73 Cb -0.18 0.09 -0.02 0.00 0.10 0.00 0.00 34.13 34.11 1saw s GLU 73 CO 0.13 -0.03 1.05 -1.17 0.02 0.00 0.00 175.26 175.26 1saw s LEU 74 N -0.33 4.30 0.25 1.80 2.96 -1.26 -1.16 118.68 125.23 1saw s LEU 74 Ca -0.04 1.65 0.02 0.00 -0.22 0.00 0.00 54.13 55.54 1saw s LEU 74 Cb -0.03 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1saw s LEU 74 CO 0.00 -0.42 0.41 -0.83 -1.32 0.00 0.00 176.35 174.20 1saw s GLY 75 N 1.13 1.49 -0.25 7.98 0.00 0.19 -1.61 107.32 116.26 1saw s GLY 75 Ca 0.51 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 44.23 1saw s GLY 75 CO 0.22 -0.96 0.06 0.14 0.00 0.00 0.00 173.10 172.56 1saw s VAL 76 N -2.01 0.69 -0.17 1.40 1.01 -0.35 -2.70 120.40 118.26 1saw s VAL 76 Ca 0.37 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 1saw s VAL 76 Cb -0.10 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1saw s VAL 76 CO 0.31 -0.41 0.67 -0.69 0.00 0.00 0.00 175.10 174.98 1saw s VAL 77 N 1.75 5.00 0.27 2.92 1.01 0.16 -1.73 120.40 129.78 1saw s VAL 77 Ca 0.03 1.30 -0.28 0.00 0.00 0.00 0.00 61.98 63.03 1saw s VAL 77 Cb -0.17 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 1saw s VAL 77 CO -0.16 0.12 0.93 -0.04 0.00 0.00 0.00 175.10 175.95 1saw s MET 78 N 1.76 4.72 0.00 2.72 -1.94 -0.18 -0.84 119.30 125.54 1saw s MET 78 Ca 0.32 1.39 0.16 0.00 -1.71 0.00 0.00 55.69 55.85 1saw s MET 78 Cb -0.16 -3.07 -0.08 0.00 2.01 0.00 0.00 34.83 33.52 1saw s MET 78 CO 0.12 0.42 0.76 0.41 -0.01 0.00 0.00 175.02 176.72 1saw n GLY 79 N 1.09 -0.24 3.40 -0.03 0.00 -0.12 -1.09 105.19 108.20 1saw n GLY 79 Ca -0.01 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 1saw n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1saw s LYS 80 N -2.18 0.56 -0.06 1.61 2.20 -1.21 -4.78 119.74 115.88 1saw s LYS 80 Ca 0.10 0.81 -0.40 0.00 -0.36 0.00 0.00 55.97 56.11 1saw s LYS 80 Cb 0.12 0.18 -0.19 0.00 -1.51 0.00 0.00 37.83 36.44 1saw s LYS 80 CO 0.52 -0.11 1.25 -2.13 -0.36 0.00 0.00 175.35 174.52 1saw n ARG 81 N 3.42 0.34 -3.68 4.03 0.63 -1.26 -4.35 116.66 115.78 1saw n ARG 81 Ca -0.17 0.12 -0.30 0.00 -0.92 0.00 0.00 57.85 56.59 1saw n ARG 81 Cb 0.56 -1.67 -0.13 0.00 0.45 0.00 0.00 32.46 31.67 1saw n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1saw s ARG 83 N 0.78 2.42 -1.13 0.00 3.52 -1.26 -1.60 118.95 121.68 1saw s ARG 83 Ca 0.16 -1.33 -0.20 0.00 -0.13 0.00 0.00 55.73 54.22 1saw s ARG 83 Cb -0.22 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.82 1saw s ARG 83 CO -0.06 -0.71 0.80 0.00 -0.81 0.00 0.00 175.30 174.52 1saw n ALA 84 N 4.68 -2.55 -2.49 6.12 0.00 -0.82 -4.97 120.51 120.47 1saw n ALA 84 Ca -0.11 -0.22 -0.32 0.00 0.00 0.00 0.00 53.44 52.79 1saw n ALA 84 Cb 0.43 -4.24 -0.05 0.00 0.00 0.00 0.00 19.45 15.59 1saw n ALA 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1saw s VAL 85 N -3.45 5.00 0.64 0.00 -7.23 -1.26 -4.92 120.40 109.17 1saw s VAL 85 Ca 0.48 0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 60.84 1saw s VAL 85 Cb -0.16 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 1saw s VAL 85 CO 0.85 -0.06 1.06 -2.16 -0.31 0.00 0.00 175.10 174.48 1saw s PRO 86 N -2.83 3.15 0.36 4.82 0.04 -1.26 -4.43 135.00 134.85 1saw s PRO 86 Ca 0.45 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.61 1saw s PRO 86 Cb -0.11 -2.01 0.69 0.00 0.04 0.00 0.00 34.50 33.10 1saw s PRO 86 CO 0.23 -0.94 2.00 1.49 0.04 0.00 0.00 177.00 179.82 1saw h GLU 87 N -0.12 0.78 0.00 4.56 4.81 -1.92 -2.63 114.58 120.06 1saw h GLU 87 Ca -0.45 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1saw h GLU 87 Cb 1.21 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1saw h GLU 87 CO 0.57 0.52 -0.10 0.00 -0.73 0.00 0.00 179.01 179.27 1saw h ALA 88 N 1.61 1.03 -0.01 2.92 0.00 -1.93 -2.73 119.26 120.16 1saw h ALA 88 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1saw h ALA 88 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1saw h ALA 88 CO -0.07 0.12 -0.57 0.00 0.00 0.00 0.00 179.25 178.74 1saw n ALA 89 N -2.16 3.76 -0.26 0.00 0.00 -1.02 -4.73 120.51 116.10 1saw n ALA 89 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1saw n ALA 89 Cb 0.34 -0.76 0.13 0.00 0.00 0.00 0.00 19.45 19.16 1saw n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1saw h ALA 90 N 3.58 1.03 0.00 0.00 0.00 -1.19 -2.40 119.26 120.28 1saw h ALA 90 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1saw h ALA 90 Cb 0.68 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1saw h ALA 90 CO 0.00 0.09 -0.02 0.52 0.00 0.00 0.00 179.25 179.84 1saw h MET 91 N 0.75 0.00 0.00 0.00 2.86 -1.85 -1.69 114.93 115.00 1saw h MET 91 Ca 0.34 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1saw h MET 91 Cb 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1saw h MET 91 CO -0.21 0.02 -0.01 0.22 1.06 0.00 0.00 176.91 177.99 1saw h ASP 92 N 0.00 0.00 -0.13 1.22 -0.00 -1.78 -3.02 116.42 112.71 1saw h ASP 92 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1saw h ASP 92 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.66 1saw h ASP 92 CO 0.00 0.01 0.00 -1.22 -0.00 0.00 0.00 179.24 178.04 1saw n TYR 93 N -3.12 0.15 -3.37 0.28 4.02 -0.64 -4.88 117.16 109.60 1saw n TYR 93 Ca -0.00 -0.07 -0.38 0.00 -0.01 0.00 0.00 57.90 57.44 1saw n TYR 93 Cb 0.27 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.52 1saw n TYR 93 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1saw s VAL 94 N -1.85 5.14 -0.11 -0.72 1.01 -1.14 -0.95 120.40 121.77 1saw s VAL 94 Ca 0.34 0.91 0.14 0.00 0.00 0.00 0.00 61.98 63.36 1saw s VAL 94 Cb 0.20 -3.78 -0.24 0.00 0.00 0.00 0.00 36.38 32.56 1saw s VAL 94 CO 0.30 0.40 0.40 0.61 0.00 0.00 0.00 175.10 176.81 1saw n GLY 95 N 2.88 -0.96 0.00 4.51 0.00 -0.02 -4.42 105.19 107.18 1saw n GLY 95 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1saw n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1saw n GLY 96 N 1.67 -0.53 3.10 -0.02 0.00 -0.84 -2.68 105.19 105.89 1saw n GLY 96 Ca -0.25 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 1saw n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1saw s TYR 97 N -3.22 0.40 -0.03 1.61 1.51 0.18 -0.67 117.35 117.14 1saw s TYR 97 Ca 0.00 -0.88 -0.13 0.00 -1.01 0.00 0.00 57.07 55.05 1saw s TYR 97 Cb 0.00 -0.29 0.02 0.00 -0.11 0.00 0.00 41.96 41.58 1saw s TYR 97 CO 0.00 -0.39 0.28 0.00 -1.11 0.00 0.00 175.55 174.32 1saw s ALA 98 N -3.58 -0.69 -0.06 3.71 0.00 -1.10 -0.26 121.76 119.79 1saw s ALA 98 Ca 0.04 0.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.09 1saw s ALA 98 Cb 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1saw s ALA 98 CO -0.09 -0.23 0.72 -1.17 0.00 0.00 0.00 175.76 174.99 1saw s LEU 99 N -1.07 4.32 0.29 0.00 2.96 -1.26 0.53 118.68 124.45 1saw s LEU 99 Ca -0.11 1.22 0.06 0.00 -0.22 0.00 0.00 54.13 55.07 1saw s LEU 99 Cb -0.05 -3.11 -0.06 0.00 0.50 0.00 0.00 46.19 43.47 1saw s LEU 99 CO 0.03 -0.12 -0.02 0.00 -1.32 0.00 0.00 176.35 174.91 1saw s LEU 101 N -3.45 2.17 -1.23 0.00 1.43 -0.61 -1.72 118.68 115.27 1saw s LEU 101 Ca 0.31 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 1saw s LEU 101 Cb 0.05 -1.47 0.16 0.00 0.03 0.00 0.00 46.19 44.96 1saw s LEU 101 CO 0.13 0.06 1.49 -0.67 0.23 0.00 0.00 176.35 177.59 1saw n ASP 102 N 4.21 5.19 -4.73 2.29 2.03 -0.25 -3.29 116.55 121.99 1saw n ASP 102 Ca -0.20 -2.98 -0.42 0.00 0.52 0.00 0.00 54.79 51.71 1saw n ASP 102 Cb 0.51 -1.58 -0.03 0.00 -0.72 0.00 0.00 41.12 39.30 1saw n ASP 102 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1saw s MET 103 N 1.77 4.21 -0.06 -0.67 -1.94 -0.92 -3.83 119.30 117.85 1saw s MET 103 Ca 0.44 2.39 -0.01 0.00 -1.71 0.00 0.00 55.69 56.80 1saw s MET 103 Cb -0.01 -3.12 0.03 0.00 2.01 0.00 0.00 34.83 33.73 1saw s MET 103 CO 0.01 -0.58 0.01 0.99 -0.01 0.00 0.00 175.02 175.44 1saw s THR 104 N 0.76 0.29 -0.79 2.05 2.01 -0.75 -4.67 115.64 114.54 1saw s THR 104 Ca 0.67 0.17 -0.25 0.00 0.31 0.00 0.00 61.69 62.59 1saw s THR 104 Cb -0.44 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 1saw s THR 104 CO 0.36 0.24 1.77 0.00 -0.69 0.00 0.00 174.62 176.30 1saw s ALA 105 N 1.95 2.12 0.16 7.40 0.00 -0.60 0.07 121.76 132.86 1saw s ALA 105 Ca 0.04 -1.28 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 1saw s ALA 105 Cb -0.12 -4.43 0.02 0.00 0.00 0.00 0.00 23.12 18.59 1saw s ALA 105 CO -0.05 -4.14 1.57 -0.09 0.00 0.00 0.00 175.76 173.06 1saw h ARG 106 N 12.26 1.01 -0.94 0.00 9.65 -1.60 -0.81 114.38 133.94 1saw h ARG 106 Ca -0.06 -0.40 0.04 0.00 -1.10 0.00 0.00 59.98 58.46 1saw h ARG 106 Cb 1.07 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.54 1saw h ARG 106 CO 1.25 1.08 0.61 0.38 2.80 0.00 0.00 179.97 186.09 1saw h ASP 107 N 0.88 1.01 0.17 -3.80 2.03 -1.89 -1.43 116.42 113.38 1saw h ASP 107 Ca 0.13 -0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.29 1saw h ASP 107 Cb 0.72 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 1saw h ASP 107 CO 0.05 0.68 -0.51 0.58 -1.03 0.00 0.00 179.24 179.01 1saw h VAL 108 N 1.17 1.34 -0.42 4.15 2.07 -1.87 -3.19 116.25 119.50 1saw h VAL 108 Ca 0.38 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1saw h VAL 108 Cb 0.04 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1saw h VAL 108 CO -0.13 0.53 0.09 -0.61 0.02 0.00 0.00 177.57 177.47 1saw h GLN 109 N 0.30 0.68 -0.57 1.57 4.15 -0.57 -1.63 115.11 119.04 1saw h GLN 109 Ca 0.01 -0.17 0.03 0.00 0.77 0.00 0.00 58.65 59.29 1saw h GLN 109 Cb 1.01 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.57 1saw h GLN 109 CO 0.09 0.70 0.33 -0.44 -1.93 0.00 0.00 178.83 177.58 1saw h ASP 110 N 0.54 0.53 -0.68 -0.69 3.32 -1.32 -0.64 116.42 117.48 1saw h ASP 110 Ca 0.13 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1saw h ASP 110 Cb 0.34 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1saw h ASP 110 CO 0.00 0.37 0.20 -0.08 -1.72 0.00 0.00 179.24 178.01 1saw h GLU 111 N 0.65 1.07 0.51 3.56 4.57 -1.52 -1.21 114.58 122.21 1saw h GLU 111 Ca 0.23 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1saw h GLU 111 Cb 0.06 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1saw h GLU 111 CO -0.12 0.94 -0.25 0.00 -1.18 0.00 0.00 179.01 178.40 1saw h LYS 113 N -0.69 0.27 -0.60 0.00 1.57 -1.05 -0.68 116.57 115.39 1saw h LYS 113 Ca -0.07 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1saw h LYS 113 Cb 0.54 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1saw h LYS 113 CO 0.11 0.18 0.25 0.87 -0.57 0.00 0.00 179.45 180.29 1saw h LYS 114 N 0.28 0.88 -0.01 3.15 1.57 -0.87 -2.70 116.57 118.87 1saw h LYS 114 Ca 0.42 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1saw h LYS 114 Cb 0.72 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1saw h LYS 114 CO -0.51 0.74 -0.10 1.63 -0.57 0.00 0.00 179.45 180.64 1saw n LYS 115 N -4.48 1.28 -3.07 3.15 4.76 -0.71 -4.94 118.16 114.16 1saw n LYS 115 Ca 0.04 -0.72 -0.20 0.00 -2.87 0.00 0.00 58.31 54.55 1saw n LYS 115 Cb 0.15 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 31.90 1saw n LYS 115 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1saw n GLY 116 N 1.24 -0.35 3.93 0.72 0.00 -0.43 -5.03 105.19 105.27 1saw n GLY 116 Ca 0.16 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1saw n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1saw s LEU 117 N -6.00 4.10 0.68 0.99 1.43 -0.39 -5.02 118.68 114.46 1saw s LEU 117 Ca 0.34 -0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 53.19 1saw s LEU 117 Cb -0.15 -2.67 -0.00 0.00 0.03 0.00 0.00 46.19 43.40 1saw s LEU 117 CO 0.42 -0.13 1.11 -2.65 0.23 0.00 0.00 176.35 175.33 1saw n PRO 118 N -1.38 0.76 -0.09 1.29 -0.02 -1.26 -4.53 135.00 129.78 1saw n PRO 118 Ca -0.07 0.32 0.04 0.00 -2.02 0.00 0.00 63.50 61.76 1saw n PRO 118 Cb 0.58 -2.35 0.13 0.00 -0.02 0.00 0.00 33.50 31.83 1saw n PRO 118 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1saw n TRP 119 N -2.24 0.23 -0.04 6.00 7.02 -1.26 -4.55 117.44 122.60 1saw n TRP 119 Ca 0.14 -0.11 -0.09 0.00 -1.02 0.00 0.00 57.50 56.41 1saw n TRP 119 Cb 0.49 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.35 1saw n TRP 119 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1saw h THR 120 N 1.09 1.00 0.00 -0.99 2.02 -1.93 -0.42 112.91 113.68 1saw h THR 120 Ca 0.00 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1saw h THR 120 Cb 0.25 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1saw h THR 120 CO 0.00 0.04 -0.15 -0.07 0.37 0.00 0.00 175.52 175.71 1saw h LEU 121 N 0.23 0.00 0.10 2.58 -0.00 -1.94 -0.60 115.31 115.67 1saw h LEU 121 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.68 1saw h LEU 121 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 1saw h LEU 121 CO -0.05 0.15 -1.41 0.00 -0.00 0.00 0.00 178.44 177.13 1saw h ALA 122 N 1.85 0.27 0.00 1.53 0.00 -1.45 -3.43 119.26 118.03 1saw h ALA 122 Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1saw h ALA 122 Cb 0.45 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1saw h ALA 122 CO 0.02 1.14 0.00 1.63 0.00 0.00 0.00 179.25 182.04 1saw n LYS 123 N -3.43 4.10 -0.17 0.00 4.76 -0.31 -1.56 118.16 121.54 1saw n LYS 123 Ca -0.13 -0.04 0.04 0.00 -2.87 0.00 0.00 58.31 55.31 1saw n LYS 123 Cb 1.03 -0.40 0.06 0.00 -1.84 0.00 0.00 35.03 33.87 1saw n LYS 123 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1saw n SER 124 N -0.60 1.36 -4.46 4.39 7.64 -0.25 -4.79 113.62 116.91 1saw n SER 124 Ca 0.00 -2.35 -0.29 0.00 1.01 0.00 0.00 58.87 57.24 1saw n SER 124 Cb 0.01 -0.24 0.18 0.00 -1.01 0.00 0.00 64.21 63.15 1saw n SER 124 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1saw s PHE 125 N -1.40 1.82 0.34 1.43 -0.12 -1.25 -4.51 117.98 114.29 1saw s PHE 125 Ca 0.14 0.74 -0.29 0.00 -0.05 0.00 0.00 56.93 57.47 1saw s PHE 125 Cb 0.12 -3.45 -0.11 0.00 -0.63 0.00 0.00 43.02 38.95 1saw s PHE 125 CO 0.01 -2.91 1.41 0.99 -0.05 0.00 0.00 175.22 174.66 1saw s THR 126 N -3.20 2.40 -1.63 -4.49 2.01 -1.26 -2.56 115.64 106.91 1saw s THR 126 Ca 0.67 0.39 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1saw s THR 126 Cb -0.13 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1saw s THR 126 CO 0.55 0.09 0.00 0.00 -0.69 0.00 0.00 174.62 174.57 1saw n ALA 127 N 0.83 -0.60 0.62 7.40 0.00 -1.12 -4.60 120.51 123.03 1saw n ALA 127 Ca 0.01 0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.71 1saw n ALA 127 Cb 0.40 -1.96 0.25 0.00 0.00 0.00 0.00 19.45 18.14 1saw n ALA 127 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1saw n SER 128 N -1.81 2.47 -3.41 0.00 3.41 -0.82 -4.21 113.62 109.26 1saw n SER 128 Ca -0.21 -1.94 -0.26 0.00 -0.26 0.00 0.00 58.87 56.20 1saw n SER 128 Cb 0.65 -0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 64.24 1saw n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1saw n PRO 130 N 2.25 2.12 -3.83 0.00 -0.02 -1.21 -2.08 135.00 132.23 1saw n PRO 130 Ca 0.26 0.75 -0.13 0.00 -2.02 0.00 0.00 63.50 62.37 1saw n PRO 130 Cb 0.47 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.37 1saw n PRO 130 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1saw s VAL 131 N -1.16 -0.01 0.89 -1.45 0.11 -0.78 -1.57 120.40 116.42 1saw s VAL 131 Ca 0.59 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.56 1saw s VAL 131 Cb -0.51 -0.10 0.17 0.00 -1.53 0.00 0.00 36.38 34.40 1saw s VAL 131 CO 0.60 0.02 1.23 -0.94 -3.33 0.00 0.00 175.10 172.68 1saw s SER 132 N 0.28 3.58 0.66 3.54 1.04 -0.24 -2.99 113.70 119.57 1saw s SER 132 Ca -0.02 0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.46 1saw s SER 132 Cb -0.03 -0.41 -0.00 0.00 0.10 0.00 0.00 66.02 65.68 1saw s SER 132 CO -0.01 -2.43 1.26 0.00 0.98 0.00 0.00 173.24 173.04 1saw s ALA 133 N -3.69 2.34 0.23 5.32 0.00 -1.26 -4.76 121.76 119.93 1saw s ALA 133 Ca 0.71 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 1saw s ALA 133 Cb -0.05 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 1saw s ALA 133 CO 0.51 -1.59 1.32 0.12 0.00 0.00 0.00 175.76 176.12 1saw s PHE 134 N -1.57 3.20 -0.27 0.00 5.36 -1.26 -4.61 117.98 118.84 1saw s PHE 134 Ca 0.80 1.23 -0.05 0.00 -0.96 0.00 0.00 56.93 57.95 1saw s PHE 134 Cb -0.34 -3.64 0.01 0.00 -0.34 0.00 0.00 43.02 38.71 1saw s PHE 134 CO 0.40 -1.97 0.02 0.08 -1.46 0.00 0.00 175.22 172.29 1saw s VAL 135 N -0.12 3.55 0.68 3.12 1.01 0.65 -4.98 120.40 124.29 1saw s VAL 135 Ca 0.56 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1saw s VAL 135 Cb -0.38 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1saw s VAL 135 CO 0.41 0.17 0.93 -2.65 0.00 0.00 0.00 175.10 173.96 1saw n PRO 136 N 4.79 0.63 -0.06 2.72 -0.02 -1.26 -0.65 135.00 141.15 1saw n PRO 136 Ca -0.16 0.26 0.04 0.00 -2.02 0.00 0.00 63.50 61.63 1saw n PRO 136 Cb 0.48 -2.17 0.39 0.00 -0.02 0.00 0.00 33.50 32.18 1saw n PRO 136 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1saw h LYS 137 N 0.01 0.64 -0.57 -0.52 3.64 -1.85 -2.68 116.57 115.22 1saw h LYS 137 Ca -0.48 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 58.91 1saw h LYS 137 Cb 1.35 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1saw h LYS 137 CO 0.48 0.42 0.38 0.93 -2.27 0.00 0.00 179.45 179.39 1saw h GLU 138 N 0.66 0.61 0.00 1.90 5.08 -1.91 -1.94 114.58 118.98 1saw h GLU 138 Ca 0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1saw h GLU 138 Cb -0.03 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1saw h GLU 138 CO -0.04 0.41 0.00 1.63 -1.00 0.00 0.00 179.01 180.00 1saw n LYS 139 N -4.47 0.20 -3.77 2.33 5.02 -1.01 -4.34 118.16 112.12 1saw n LYS 139 Ca 0.07 0.34 -0.30 0.00 -2.02 0.00 0.00 58.31 56.41 1saw n LYS 139 Cb 0.17 -1.82 -0.13 0.00 -0.02 0.00 0.00 35.03 33.22 1saw n LYS 139 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1saw s ILE 140 N -3.23 1.61 0.07 -0.18 1.01 -0.73 -4.99 121.20 114.76 1saw s ILE 140 Ca 0.06 -2.60 -0.19 0.00 0.00 0.00 0.00 60.65 57.93 1saw s ILE 140 Cb 0.10 -2.13 -0.10 0.00 0.01 0.00 0.00 42.46 40.34 1saw s ILE 140 CO 0.44 -0.85 1.48 1.55 0.00 0.00 0.00 174.94 177.56 1saw h PRO 141 N 6.83 0.40 -4.87 2.79 0.13 -1.76 -3.40 132.00 132.12 1saw h PRO 141 Ca -0.03 -0.14 -0.67 0.00 -0.87 0.00 0.00 66.00 64.28 1saw h PRO 141 Cb 0.93 -0.03 -0.36 0.00 0.13 0.00 0.00 31.00 31.67 1saw h PRO 141 CO 0.52 0.62 -0.79 0.34 -0.23 0.00 0.00 178.00 178.47 1saw s ASP 142 N -5.96 4.42 0.00 1.44 3.68 -1.26 -5.00 116.67 113.99 1saw s ASP 142 Ca -0.14 -1.31 0.21 0.00 2.13 0.00 0.00 52.55 53.45 1saw s ASP 142 Cb 0.07 -1.57 1.03 0.00 -1.45 0.00 0.00 42.92 41.00 1saw s ASP 142 CO 0.74 -0.18 1.69 -0.81 0.13 0.00 0.00 175.17 176.74 1saw n PRO 143 N 4.48 0.22 -0.09 4.34 -0.04 -1.26 -2.62 135.00 140.03 1saw n PRO 143 Ca -0.14 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 1saw n PRO 143 Cb 0.43 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.73 1saw n PRO 143 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1saw n HIS 144 N -1.35 0.23 -2.12 0.54 8.25 -1.26 -4.18 115.22 115.32 1saw n HIS 144 Ca 0.09 -0.11 -0.27 0.00 -0.26 0.00 0.00 57.72 57.17 1saw n HIS 144 Cb 0.19 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.32 1saw n HIS 144 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1saw n LYS 145 N 0.59 3.44 -4.27 -0.41 5.02 -1.08 -1.05 118.16 120.41 1saw n LYS 145 Ca 0.17 -4.19 -0.25 0.00 -2.02 0.00 0.00 58.31 52.01 1saw n LYS 145 Cb 0.40 -2.27 -0.08 0.00 -0.02 0.00 0.00 35.03 33.06 1saw n LYS 145 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1saw s LEU 146 N -3.62 3.15 -0.13 -0.35 1.43 -1.26 -5.01 118.68 112.90 1saw s LEU 146 Ca 0.51 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1saw s LEU 146 Cb 0.42 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.88 1saw s LEU 146 CO -0.07 0.06 -0.21 -1.59 0.23 0.00 0.00 176.35 174.78 1saw s LYS 147 N -3.16 2.84 0.04 1.70 0.00 -1.26 -2.31 119.74 117.58 1saw s LYS 147 Ca 0.28 -0.79 0.03 0.00 0.00 0.00 0.00 55.97 55.49 1saw s LYS 147 Cb -0.08 -2.29 -0.04 0.00 0.00 0.00 0.00 37.83 35.42 1saw s LYS 147 CO 0.18 0.00 -0.03 -0.51 0.00 0.00 0.00 175.35 175.00 1saw s LEU 148 N 0.78 3.36 0.08 2.77 1.43 -0.36 -1.32 118.68 125.41 1saw s LEU 148 Ca -0.09 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1saw s LEU 148 Cb -0.16 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1saw s LEU 148 CO -0.00 0.24 0.05 -1.66 0.23 0.00 0.00 176.35 175.21 1saw s TRP 149 N -1.14 0.50 -0.21 0.29 1.48 -0.50 -2.05 118.94 117.31 1saw s TRP 149 Ca 0.21 -0.98 -0.11 0.00 -1.06 0.00 0.00 56.10 54.16 1saw s TRP 149 Cb -0.11 -0.32 0.07 0.00 -1.16 0.00 0.00 33.47 31.95 1saw s TRP 149 CO 0.12 -0.46 0.50 -1.17 -4.06 0.00 0.00 176.95 171.88 1saw s LEU 150 N -2.93 -0.41 0.16 -4.66 0.20 -0.78 -1.69 118.68 108.56 1saw s LEU 150 Ca 0.10 1.10 0.09 0.00 0.69 0.00 0.00 54.13 56.12 1saw s LEU 150 Cb 0.07 1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 47.47 1saw s LEU 150 CO -0.07 -0.21 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.08 1saw s LYS 151 N 1.60 1.83 -0.25 1.98 1.02 0.15 -1.37 119.74 124.70 1saw s LYS 151 Ca -0.09 -1.30 -0.01 0.00 0.02 0.00 0.00 55.97 54.60 1saw s LYS 151 Cb -0.08 -2.07 0.07 0.00 -0.52 0.00 0.00 37.83 35.24 1saw s LYS 151 CO -0.15 0.44 0.02 0.08 -0.92 0.00 0.00 175.35 174.82 1saw s VAL 152 N -1.49 1.09 -1.43 3.17 1.01 -0.74 -2.02 120.40 120.00 1saw s VAL 152 Ca 0.21 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1saw s VAL 152 Cb -0.09 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.75 1saw s VAL 152 CO 0.12 -0.31 0.56 0.59 0.00 0.00 0.00 175.10 176.06 1saw n ASN 153 N 4.81 -5.03 0.00 3.32 3.02 -0.98 -2.57 115.26 117.83 1saw n ASN 153 Ca -0.08 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1saw n ASN 153 Cb 0.44 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 1saw n ASN 153 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1saw n GLY 154 N -1.37 1.79 3.60 7.41 0.00 -1.26 -5.05 105.19 110.31 1saw n GLY 154 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1saw n GLY 154 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1saw s GLU 155 N -0.81 3.89 -0.31 1.61 2.12 -1.06 -4.97 118.70 119.18 1saw s GLU 155 Ca 0.00 0.30 -0.28 0.00 0.36 0.00 0.00 54.97 55.35 1saw s GLU 155 Cb 0.00 -3.73 -0.06 0.00 0.26 0.00 0.00 34.13 30.60 1saw s GLU 155 CO 0.00 -0.58 2.29 -0.11 -0.54 0.00 0.00 175.26 176.31 1saw n LEU 156 N 5.90 2.94 -0.01 2.70 7.94 -1.26 -1.79 117.00 133.42 1saw n LEU 156 Ca -0.01 -0.01 0.04 0.00 -1.11 0.00 0.00 56.01 54.93 1saw n LEU 156 Cb 0.49 -1.56 -0.07 0.00 0.53 0.00 0.00 43.42 42.81 1saw n LEU 156 CO 0.46 -0.96 -0.63 0.54 -1.11 0.00 0.00 177.39 175.70 1saw n ARG 157 N 8.83 0.45 -4.12 1.96 1.74 -0.47 -5.00 116.66 120.04 1saw n ARG 157 Ca 0.33 -0.08 -0.18 0.00 -0.77 0.00 0.00 57.85 57.15 1saw n ARG 157 Cb 0.47 -1.23 -0.16 0.00 -1.02 0.00 0.00 32.46 30.53 1saw n ARG 157 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1saw s GLN 158 N -2.63 0.56 -0.15 5.56 -0.21 -1.12 -4.30 119.66 117.36 1saw s GLN 158 Ca -0.04 -0.11 -0.04 0.00 0.02 0.00 0.00 55.36 55.19 1saw s GLN 158 Cb 0.06 -0.59 0.08 0.00 1.00 0.00 0.00 33.01 33.55 1saw s GLN 158 CO 0.39 -0.01 0.26 -1.21 -2.12 0.00 0.00 175.29 172.61 1saw s GLU 159 N 0.50 0.17 0.05 2.91 2.02 -1.26 -1.86 118.70 121.22 1saw s GLU 159 Ca -0.06 0.61 0.01 0.00 0.02 0.00 0.00 54.97 55.55 1saw s GLU 159 Cb -0.09 -0.33 -0.03 0.00 0.10 0.00 0.00 34.13 33.78 1saw s GLU 159 CO -0.00 -0.39 -0.06 0.20 0.02 0.00 0.00 175.26 175.03 1saw s GLY 160 N 2.41 0.48 -0.11 -1.39 0.00 -0.87 -4.73 107.32 103.11 1saw s GLY 160 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.89 1saw s GLY 160 CO -0.10 -0.97 -0.21 -0.54 0.00 0.00 0.00 173.10 171.29 1saw s GLU 161 N -2.30 3.11 0.03 2.90 2.02 -1.26 -1.23 118.70 121.97 1saw s GLU 161 Ca -0.05 -0.82 0.21 0.00 0.02 0.00 0.00 54.97 54.33 1saw s GLU 161 Cb -0.05 -2.39 0.88 0.00 0.10 0.00 0.00 34.13 32.67 1saw s GLU 161 CO -0.02 0.21 1.67 0.25 0.02 0.00 0.00 175.26 177.38 1saw n THR 162 N 3.47 0.61 0.08 3.63 -2.24 -0.98 -2.53 114.28 116.32 1saw n THR 162 Ca -0.19 0.13 0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1saw n THR 162 Cb 0.53 -0.81 0.38 0.00 -2.10 0.00 0.00 70.33 68.33 1saw n THR 162 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1saw h SER 163 N 0.00 0.31 -0.16 3.42 4.64 -1.35 -2.87 113.55 117.55 1saw h SER 163 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1saw h SER 163 Cb 0.37 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1saw h SER 163 CO 0.00 0.41 0.00 -1.54 -0.87 0.00 0.00 176.83 174.83 1saw n SER 164 N -4.31 1.56 -4.77 4.97 3.41 -1.05 -4.86 113.62 108.56 1saw n SER 164 Ca 0.00 -2.12 -0.41 0.00 -0.26 0.00 0.00 58.87 56.09 1saw n SER 164 Cb 0.23 -0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 1saw n SER 164 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1saw s MET 165 N -1.58 4.19 -0.05 4.33 -1.94 -1.08 -4.25 119.30 118.92 1saw s MET 165 Ca 0.12 2.46 -0.14 0.00 -1.71 0.00 0.00 55.69 56.42 1saw s MET 165 Cb 0.08 -3.01 -0.09 0.00 2.01 0.00 0.00 34.83 33.83 1saw s MET 165 CO 0.06 -0.43 0.59 0.82 -0.01 0.00 0.00 175.02 176.04 1saw h ILE 166 N 3.04 0.18 -3.40 2.53 2.04 -1.71 -3.42 117.51 116.76 1saw h ILE 166 Ca -0.50 -0.77 -0.59 0.00 1.00 0.00 0.00 64.86 64.00 1saw h ILE 166 Cb 1.23 0.30 -0.10 0.00 -0.74 0.00 0.00 36.82 37.51 1saw h ILE 166 CO 0.66 0.05 -0.19 -0.36 0.00 0.00 0.00 178.15 178.30 1saw s PHE 167 N -3.08 3.42 1.17 1.37 0.40 -1.26 -5.07 117.98 114.92 1saw s PHE 167 Ca -0.08 0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 56.80 1saw s PHE 167 Cb 0.01 -2.51 0.27 0.00 0.51 0.00 0.00 43.02 41.30 1saw s PHE 167 CO 0.25 0.07 1.04 -1.54 0.70 0.00 0.00 175.22 175.75 1saw s SER 168 N 0.84 1.10 -0.07 1.36 1.04 -1.26 -4.83 113.70 111.88 1saw s SER 168 Ca 0.21 1.17 -0.26 0.00 0.48 0.00 0.00 55.95 57.54 1saw s SER 168 Cb -0.15 -1.79 -0.22 0.00 0.10 0.00 0.00 66.02 63.97 1saw s SER 168 CO 0.08 -4.07 1.02 0.40 0.98 0.00 0.00 173.24 171.65 1saw h ILE 169 N -2.54 1.47 -0.74 -1.02 2.04 -1.97 -2.58 117.51 112.16 1saw h ILE 169 Ca -0.55 -1.59 0.17 0.00 1.00 0.00 0.00 64.86 63.89 1saw h ILE 169 Cb 1.33 2.53 -0.04 0.00 -0.74 0.00 0.00 36.82 39.89 1saw h ILE 169 CO 0.48 0.40 0.51 -0.65 0.00 0.00 0.00 178.15 178.89 1saw h PRO 170 N -0.73 0.25 -0.05 2.37 0.11 -1.94 -0.74 132.00 131.28 1saw h PRO 170 Ca -0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1saw h PRO 170 Cb 0.68 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1saw h PRO 170 CO 0.00 0.17 -0.13 -0.92 -0.21 0.00 0.00 178.00 176.91 1saw h TYR 171 N 0.26 0.24 -0.79 0.65 3.20 -1.86 -1.19 116.97 117.48 1saw h TYR 171 Ca 0.36 -0.09 0.11 0.00 3.14 0.00 0.00 58.73 62.25 1saw h TYR 171 Cb 1.05 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 39.20 1saw h TYR 171 CO -0.00 0.74 0.42 0.82 -1.64 0.00 0.00 178.16 178.50 1saw h ILE 172 N -0.33 0.83 0.42 1.81 2.04 -0.86 0.58 117.51 122.00 1saw h ILE 172 Ca -0.00 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1saw h ILE 172 Cb 0.74 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1saw h ILE 172 CO 0.03 0.12 -0.20 0.40 0.00 0.00 0.00 178.15 178.50 1saw h ILE 173 N 0.67 0.57 -0.80 -0.67 2.04 -1.17 -0.52 117.51 117.64 1saw h ILE 173 Ca 0.40 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 66.10 1saw h ILE 173 Cb 0.46 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1saw h ILE 173 CO -0.29 0.05 0.52 -1.28 0.00 0.00 0.00 178.15 177.15 1saw h SER 174 N -0.72 0.64 0.06 1.72 0.87 -0.61 -1.05 113.55 114.46 1saw h SER 174 Ca -0.06 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1saw h SER 174 Cb 0.51 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1saw h SER 174 CO 0.09 0.37 -0.03 0.22 -0.53 0.00 0.00 176.83 176.95 1saw h TYR 175 N 0.70 -0.08 -0.08 2.24 3.20 0.28 -2.97 116.97 120.27 1saw h TYR 175 Ca 0.37 -0.00 -0.18 0.00 3.14 0.00 0.00 58.73 62.06 1saw h TYR 175 Cb 0.51 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1saw h TYR 175 CO -0.00 0.33 -0.72 -0.39 -1.64 0.00 0.00 178.16 175.74 1saw h VAL 176 N -0.52 1.38 0.00 1.81 -1.51 -0.91 -2.99 116.25 113.52 1saw h VAL 176 Ca -0.01 -2.13 -0.02 0.00 -1.23 0.00 0.00 66.70 63.32 1saw h VAL 176 Cb 0.45 2.10 -0.00 0.00 -2.13 0.00 0.00 31.29 31.70 1saw h VAL 176 CO 0.01 0.64 -0.09 0.77 -1.23 0.00 0.00 177.57 177.67 1saw h SER 177 N 0.27 0.00 0.68 4.19 4.64 -1.25 1.35 113.55 123.44 1saw h SER 177 Ca -0.03 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 1saw h SER 177 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1saw h SER 177 CO 0.12 0.09 -0.47 0.11 -0.87 0.00 0.00 176.83 175.82 1saw h LYS 178 N 0.00 0.00 0.06 4.77 1.57 -1.36 -2.18 116.57 119.43 1saw h LYS 178 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1saw h LYS 178 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1saw h LYS 178 CO 0.01 0.47 -1.98 -0.89 -0.57 0.00 0.00 179.45 176.49 1saw n ILE 179 N -3.71 1.65 -3.74 1.86 5.41 -0.25 -4.88 119.36 115.69 1saw n ILE 179 Ca -0.01 -0.48 -0.27 0.00 1.00 0.00 0.00 62.75 63.00 1saw n ILE 179 Cb 0.53 -1.76 -0.17 0.00 -0.71 0.00 0.00 39.64 37.54 1saw n ILE 179 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1saw s ILE 180 N -2.50 0.48 0.23 1.39 1.01 0.45 -5.12 121.20 117.14 1saw s ILE 180 Ca -0.28 -0.41 -0.32 0.00 0.00 0.00 0.00 60.65 59.65 1saw s ILE 180 Cb 0.08 -0.92 -0.13 0.00 0.01 0.00 0.00 42.46 41.50 1saw s ILE 180 CO 0.67 -0.11 1.59 0.41 0.00 0.00 0.00 174.94 177.51 1saw n THR 181 N 5.07 0.47 -4.34 2.92 -1.04 -1.25 -3.58 114.28 112.52 1saw n THR 181 Ca -0.09 -0.12 -0.35 0.00 -2.04 0.00 0.00 64.05 61.46 1saw n THR 181 Cb 0.48 -1.78 -0.10 0.00 -1.82 0.00 0.00 70.33 67.11 1saw n THR 181 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1saw s LEU 182 N 0.44 3.51 0.46 -4.42 1.43 -0.63 -4.97 118.68 114.50 1saw s LEU 182 Ca 0.72 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1saw s LEU 182 Cb -0.57 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 1saw s LEU 182 CO 0.41 0.30 0.71 -1.61 0.23 0.00 0.00 176.35 176.39 1saw s GLU 183 N -0.42 3.25 -0.16 1.70 0.41 -1.26 -0.31 118.70 121.92 1saw s GLU 183 Ca 0.08 -0.21 -0.39 0.00 -0.41 0.00 0.00 54.97 54.03 1saw s GLU 183 Cb -0.12 -2.49 -0.19 0.00 -1.78 0.00 0.00 34.13 29.55 1saw s GLU 183 CO 0.02 -0.23 1.16 0.39 -0.49 0.00 0.00 175.26 176.12 1saw n GLU 184 N -2.14 0.00 0.00 1.61 1.02 -1.26 -2.03 120.64 117.84 1saw n GLU 184 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1saw n GLU 184 Cb 0.57 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1saw n GLU 184 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1saw n GLY 185 N 2.19 1.99 3.79 0.62 0.00 -0.25 -4.76 105.19 108.77 1saw n GLY 185 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1saw n GLY 185 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1saw s ASP 186 N -2.48 5.66 0.05 1.61 1.01 -0.86 -4.51 116.67 117.15 1saw s ASP 186 Ca 0.00 1.88 0.05 0.00 0.71 0.00 0.00 52.55 55.19 1saw s ASP 186 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 1saw s ASP 186 CO 0.00 -1.25 -0.14 -0.51 0.21 0.00 0.00 175.17 173.48 1saw s ILE 187 N -2.37 1.09 -0.21 0.77 2.07 -0.97 -1.01 121.20 120.58 1saw s ILE 187 Ca 0.65 -1.13 0.02 0.00 -1.41 0.00 0.00 60.65 58.78 1saw s ILE 187 Cb -0.17 -1.02 0.04 0.00 0.13 0.00 0.00 42.46 41.43 1saw s ILE 187 CO 0.37 -0.10 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.51 1saw s ILE 188 N -1.04 2.01 0.05 2.00 1.01 -0.71 -1.09 121.20 123.43 1saw s ILE 188 Ca -0.00 -1.14 -0.29 0.00 0.00 0.00 0.00 60.65 59.22 1saw s ILE 188 Cb -0.09 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 1saw s ILE 188 CO 0.02 0.31 0.92 -0.76 0.00 0.00 0.00 174.94 175.43 1saw s LEU 189 N 1.26 4.43 -0.48 2.97 1.43 -0.24 -1.21 118.68 126.84 1saw s LEU 189 Ca -0.00 1.65 0.03 0.00 -1.03 0.00 0.00 54.13 54.78 1saw s LEU 189 Cb -0.16 -3.49 0.50 0.00 0.03 0.00 0.00 46.19 43.07 1saw s LEU 189 CO -0.10 -0.13 1.73 0.35 0.23 0.00 0.00 176.35 178.43 1saw n THR 190 N 3.27 3.13 0.00 5.49 -2.24 -0.63 -1.49 114.28 121.81 1saw n THR 190 Ca 0.03 -3.00 0.00 0.00 -2.27 0.00 0.00 64.05 58.80 1saw n THR 190 Cb 0.50 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1saw n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1saw n GLY 191 N -0.95 -1.40 3.22 3.38 0.00 -1.25 -4.74 105.19 103.46 1saw n GLY 191 Ca 0.53 -1.58 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 1saw n GLY 191 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1saw s THR 192 N -2.04 1.62 0.17 2.61 -1.32 -1.26 -4.29 115.64 111.14 1saw s THR 192 Ca 0.00 -0.96 -0.03 0.00 -1.21 0.00 0.00 61.69 59.49 1saw s THR 192 Cb 0.00 -1.36 0.04 0.00 -1.51 0.00 0.00 72.50 69.67 1saw s THR 192 CO 0.00 0.39 0.16 -0.81 -2.21 0.00 0.00 174.62 172.15 1saw n PRO 193 N 2.38 -1.19 -1.15 7.08 -0.04 -1.26 -4.42 135.00 136.40 1saw n PRO 193 Ca -0.16 -0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 62.76 1saw n PRO 193 Cb 0.53 -0.23 0.18 0.00 -0.04 0.00 0.00 33.50 33.94 1saw n PRO 193 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1saw s LYS 194 N -3.36 0.43 0.00 0.54 0.00 -1.26 -4.45 119.74 111.64 1saw s LYS 194 Ca 0.10 0.54 0.00 0.00 0.00 0.00 0.00 55.97 56.61 1saw s LYS 194 Cb -0.01 -1.73 0.00 0.00 0.00 0.00 0.00 37.83 36.09 1saw s LYS 194 CO 0.08 -2.74 0.00 0.41 0.00 0.00 0.00 175.35 173.10 1saw n GLY 195 N -1.04 0.92 3.76 0.59 0.00 -1.26 -4.20 105.19 103.97 1saw n GLY 195 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1saw n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1saw n VAL 196 N -2.09 1.63 -3.79 1.61 0.31 -1.26 -4.43 118.33 110.30 1saw n VAL 196 Ca 0.00 -0.41 -0.04 0.00 -0.01 0.00 0.00 64.34 63.88 1saw n VAL 196 Cb 0.00 -1.97 -0.01 0.00 -0.91 0.00 0.00 33.84 30.96 1saw n VAL 196 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1saw s GLY 197 N 0.11 -0.13 0.69 2.92 0.00 -1.26 -5.02 107.32 104.64 1saw s GLY 197 Ca 0.57 -0.05 -0.11 0.00 0.00 0.00 0.00 44.72 45.13 1saw s GLY 197 CO 0.58 0.28 1.08 2.56 0.00 0.00 0.00 173.10 177.60 1saw s PRO 198 N -3.16 2.83 0.16 2.90 0.04 -1.26 -1.70 135.00 134.80 1saw s PRO 198 Ca 0.14 0.38 -0.02 0.00 0.04 0.00 0.00 61.00 61.54 1saw s PRO 198 Cb -0.02 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1saw s PRO 198 CO 0.04 -1.02 0.11 0.14 0.04 0.00 0.00 177.00 176.32 1saw s VAL 199 N -3.32 0.06 0.21 -0.36 -7.23 -0.17 -4.85 120.40 104.74 1saw s VAL 199 Ca 0.58 -1.89 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1saw s VAL 199 Cb -0.11 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1saw s VAL 199 CO 0.51 -0.26 0.26 -1.59 -0.31 0.00 0.00 175.10 173.71 1saw s LYS 200 N -4.08 1.32 0.22 4.82 -2.85 -1.26 -4.39 119.74 113.51 1saw s LYS 200 Ca 0.29 -1.47 -0.31 0.00 -1.00 0.00 0.00 55.97 53.48 1saw s LYS 200 Cb 0.07 0.35 -0.15 0.00 -2.06 0.00 0.00 37.83 36.04 1saw s LYS 200 CO 0.06 -0.48 1.20 -1.91 0.10 0.00 0.00 175.35 174.32 1saw n GLU 201 N -0.30 1.46 -0.84 1.78 2.13 -1.26 -1.99 120.64 121.61 1saw n GLU 201 Ca 0.00 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1saw n GLU 201 Cb 0.64 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.32 1saw n GLU 201 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1saw n ASN 202 N 1.89 0.00 -4.77 4.31 3.02 -0.13 -5.01 115.26 114.57 1saw n ASN 202 Ca 0.13 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.30 1saw n ASN 202 Cb 0.28 -0.39 -0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1saw n ASN 202 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1saw s ASP 203 N -2.91 6.17 -0.32 6.41 1.01 -0.84 -4.80 116.67 121.39 1saw s ASP 203 Ca 0.00 2.44 -0.01 0.00 0.71 0.00 0.00 52.55 55.70 1saw s ASP 203 Cb 0.00 -2.62 0.07 0.00 1.01 0.00 0.00 42.92 41.38 1saw s ASP 203 CO 0.00 -0.93 0.03 -0.70 0.21 0.00 0.00 175.17 173.79 1saw s GLU 204 N -2.53 2.19 0.01 8.23 2.12 -1.26 -1.55 118.70 125.90 1saw s GLU 204 Ca 0.62 -1.47 -0.24 0.00 0.36 0.00 0.00 54.97 54.23 1saw s GLU 204 Cb -0.32 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 1saw s GLU 204 CO 0.40 -0.75 0.73 0.42 -0.54 0.00 0.00 175.26 175.52 1saw s ILE 205 N 1.16 4.85 0.07 -3.70 1.01 -0.39 -2.33 121.20 121.86 1saw s ILE 205 Ca -0.01 1.54 0.08 0.00 0.00 0.00 0.00 60.65 62.26 1saw s ILE 205 Cb -0.20 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1saw s ILE 205 CO -0.03 0.34 -0.21 -1.61 0.00 0.00 0.00 174.94 173.43 1saw s GLU 206 N 0.19 1.27 0.03 2.79 0.41 -0.85 -1.06 118.70 121.48 1saw s GLU 206 Ca 0.38 -1.03 -0.28 0.00 -0.41 0.00 0.00 54.97 53.63 1saw s GLU 206 Cb -0.19 -1.44 0.07 0.00 -1.78 0.00 0.00 34.13 30.79 1saw s GLU 206 CO 0.21 0.35 0.67 0.00 -0.49 0.00 0.00 175.26 176.00 1saw s ALA 207 N -0.95 -1.71 0.30 5.21 0.00 -0.83 0.33 121.76 124.10 1saw s ALA 207 Ca 0.07 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 52.81 1saw s ALA 207 Cb -0.09 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.41 1saw s ALA 207 CO 0.03 -0.55 0.74 0.20 0.00 0.00 0.00 175.76 176.18 1saw s GLY 208 N -1.88 0.02 -0.13 0.00 0.00 -0.68 -1.12 107.32 103.52 1saw s GLY 208 Ca -0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 44.72 44.20 1saw s GLY 208 CO -0.01 -0.14 0.09 -0.42 0.00 0.00 0.00 173.10 172.62 1saw s ILE 209 N -3.55 5.04 -0.11 0.90 1.01 0.10 -1.41 121.20 123.19 1saw s ILE 209 Ca 0.12 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 1saw s ILE 209 Cb -0.06 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1saw s ILE 209 CO 0.08 0.57 1.60 -1.00 0.00 0.00 0.00 174.94 176.19 1saw s HIS 210 N -0.63 2.11 0.00 3.97 3.76 -0.44 -2.60 115.29 121.46 1saw s HIS 210 Ca 0.12 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 1saw s HIS 210 Cb -0.12 -3.87 0.00 0.00 1.11 0.00 0.00 32.58 29.70 1saw s HIS 210 CO 0.02 -3.35 0.00 0.41 -0.85 0.00 0.00 174.74 170.97 1saw n GLY 211 N 4.20 1.40 0.86 -2.22 0.00 -1.26 -4.83 105.19 103.33 1saw n GLY 211 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1saw n GLY 211 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1saw n LEU 212 N 0.00 0.40 -3.51 0.99 4.77 -1.07 -5.12 117.00 113.45 1saw n LEU 212 Ca 0.00 0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 1saw n LEU 212 Cb 0.00 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1saw n LEU 212 CO 0.00 0.08 0.46 0.54 -1.33 0.00 0.00 177.39 177.15 1saw s VAL 213 N -2.03 0.00 0.04 4.08 0.11 -1.09 -4.99 120.40 116.52 1saw s VAL 213 Ca -0.03 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.00 1saw s VAL 213 Cb 0.01 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 1saw s VAL 213 CO 0.03 0.00 0.03 -0.44 -3.33 0.00 0.00 175.10 171.39 1saw s SER 214 N -1.47 0.31 0.03 3.54 0.01 -1.26 -0.72 113.70 114.14 1saw s SER 214 Ca -0.08 -0.72 -0.18 0.00 1.31 0.00 0.00 55.95 56.28 1saw s SER 214 Cb -0.00 0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.46 1saw s SER 214 CO 0.05 -0.52 0.39 0.00 0.41 0.00 0.00 173.24 173.58 1saw s MET 215 N -2.99 0.86 -0.02 12.44 0.23 -0.27 -4.81 119.30 124.73 1saw s MET 215 Ca -0.02 -0.31 0.02 0.00 -1.03 0.00 0.00 55.69 54.35 1saw s MET 215 Cb 0.01 0.38 0.00 0.00 -1.53 0.00 0.00 34.83 33.70 1saw s MET 215 CO -0.06 -0.28 -0.06 0.99 -2.03 0.00 0.00 175.02 173.58 1saw s THR 216 N -2.16 0.49 -0.01 3.16 2.01 -1.26 -1.97 115.64 115.90 1saw s THR 216 Ca -0.07 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1saw s THR 216 Cb -0.02 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 72.04 1saw s THR 216 CO -0.00 0.17 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.71 1saw s PHE 217 N 0.21 0.32 -0.11 4.92 0.40 -0.22 -4.51 117.98 118.98 1saw s PHE 217 Ca -0.02 -0.05 -0.10 0.00 -0.60 0.00 0.00 56.93 56.16 1saw s PHE 217 Cb -0.07 -0.26 -0.05 0.00 0.51 0.00 0.00 43.02 43.15 1saw s PHE 217 CO -0.00 -0.04 0.23 -1.59 0.70 0.00 0.00 175.22 174.51 1saw s LYS 218 N 0.24 3.80 -0.17 0.44 0.00 -1.26 -1.26 119.74 121.52 1saw s LYS 218 Ca -0.02 0.02 -0.21 0.00 0.00 0.00 0.00 55.97 55.76 1saw s LYS 218 Cb -0.05 -3.27 -0.03 0.00 0.00 0.00 0.00 37.83 34.48 1saw s LYS 218 CO -0.01 0.59 0.61 0.08 0.00 0.00 0.00 175.35 176.63 1saw s VAL 219 N -0.57 5.05 0.16 1.79 1.01 -0.60 -1.07 120.40 126.18 1saw s VAL 219 Ca 0.16 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.33 1saw s VAL 219 Cb -0.13 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1saw s VAL 219 CO 0.05 0.16 0.03 -1.61 0.00 0.00 0.00 175.10 173.73 1saw s GLU 220 N 1.57 1.07 0.26 2.72 2.02 -0.05 -0.95 118.70 125.34 1saw s GLU 220 Ca 0.29 -1.52 -0.07 0.00 0.02 0.00 0.00 54.97 53.69 1saw s GLU 220 Cb -0.16 -0.08 -0.06 0.00 0.10 0.00 0.00 34.13 33.93 1saw s GLU 220 CO 0.11 -0.19 0.55 -1.59 0.02 0.00 0.00 175.26 174.16 1saw s LYS 221 N -3.97 3.70 0.67 1.61 0.00 -1.26 -1.11 119.74 119.37 1saw s LYS 221 Ca 0.25 0.13 -0.15 0.00 0.00 0.00 0.00 55.97 56.20 1saw s LYS 221 Cb 0.07 -2.65 0.00 0.00 0.00 0.00 0.00 37.83 35.25 1saw s LYS 221 CO 0.04 0.26 1.12 -1.25 0.00 0.00 0.00 175.35 175.52 1saw s PRO 222 N -3.20 2.73 -1.21 1.78 0.04 -1.26 -4.89 135.00 128.99 1saw s PRO 222 Ca 0.45 1.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 1saw s PRO 222 Cb -0.11 -1.94 0.21 0.00 0.04 0.00 0.00 34.50 32.70 1saw s PRO 222 CO 0.26 -1.31 2.01 0.39 0.04 0.00 0.00 177.00 178.39 1saw n GLU 223 N -2.45 4.58 0.00 4.56 1.02 -1.26 -5.12 120.64 121.96 1saw n GLU 223 Ca 0.11 -3.92 0.05 0.00 -0.02 0.00 0.00 57.16 53.38 1saw n GLU 223 Cb 0.52 -2.64 0.31 0.00 -0.02 0.00 0.00 31.44 29.61 1saw n GLU 223 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97