#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1saw s PRO 9 N 0.00 4.43 0.65 2.89 0.04 -1.26 -4.95 135.00 136.79 1saw s PRO 9 Ca 0.00 0.89 0.35 0.00 0.04 0.00 0.00 61.00 62.28 1saw s PRO 9 Cb 0.00 -3.41 1.94 0.00 0.04 0.00 0.00 34.50 33.07 1saw s PRO 9 CO 0.00 0.18 2.14 -0.07 0.04 0.00 0.00 177.00 179.29 1saw h LEU 10 N 6.28 0.00 -1.58 -3.56 3.38 -1.99 -1.93 115.31 115.92 1saw h LEU 10 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1saw h LEU 10 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1saw h LEU 10 CO 0.73 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.03 1saw h SER 11 N 0.00 0.00 -0.84 -0.43 4.64 -1.95 -2.72 113.55 112.25 1saw h SER 11 Ca 0.02 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.92 1saw h SER 11 Cb 0.37 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.05 1saw h SER 11 CO -0.00 0.00 -0.98 0.54 -0.87 0.00 0.00 176.83 175.52 1saw n ARG 12 N -2.86 2.48 0.27 4.77 1.74 -0.73 -4.47 116.66 117.87 1saw n ARG 12 Ca 0.00 -3.84 0.11 0.00 -0.77 0.00 0.00 57.85 53.36 1saw n ARG 12 Cb 0.23 -1.85 0.76 0.00 -1.02 0.00 0.00 32.46 30.58 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 2.56 0.00 0.00 -1.55 -5.15 -1.50 -1.81 116.94 109.49 1saw h PHE 13 Ca 0.10 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.85 1saw h PHE 13 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.43 1saw h PHE 13 CO 0.66 0.03 -0.11 0.11 -2.00 0.00 0.00 178.31 177.00 1saw h TRP 14 N 0.00 0.00 -0.04 6.09 0.09 -1.89 0.13 115.95 120.33 1saw h TRP 14 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 58.89 58.83 1saw h TRP 14 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.28 1saw h TRP 14 CO 0.00 0.11 -0.65 0.93 0.09 0.00 0.00 178.44 178.92 1saw h GLU 15 N 0.00 0.17 0.00 0.12 5.08 -1.73 -3.39 114.58 114.82 1saw h GLU 15 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1saw h GLU 15 Cb 0.45 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1saw h GLU 15 CO 0.01 0.76 -0.30 -2.67 -1.00 0.00 0.00 179.01 175.82 1saw n TRP 16 N -3.82 0.00 -2.01 4.33 4.27 -1.14 -5.05 117.44 114.01 1saw n TRP 16 Ca -0.02 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.20 1saw n TRP 16 Cb 0.65 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.60 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 2.87 -0.20 -1.67 0.00 0.43 -4.96 107.32 102.80 1saw s GLY 17 Ca 0.00 1.20 -0.04 0.00 0.00 0.00 0.00 44.72 45.88 1saw s GLY 17 CO 0.00 1.73 0.04 0.28 0.00 0.00 0.00 173.10 175.15 1saw n LYS 18 N -0.41 0.69 -4.31 2.90 5.02 -1.26 -4.80 118.16 115.99 1saw n LYS 18 Ca 0.07 0.23 -0.23 0.00 -2.02 0.00 0.00 58.31 56.36 1saw n LYS 18 Cb 0.45 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 33.73 1saw n LYS 18 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1saw s ASN 19 N -6.84 2.63 -0.06 4.39 0.01 -1.26 -3.62 114.94 110.19 1saw s ASN 19 Ca -0.30 -0.77 -0.01 0.00 -0.71 0.00 0.00 52.86 51.07 1saw s ASN 19 Cb 0.08 -0.15 0.03 0.00 0.41 0.00 0.00 41.25 41.62 1saw s ASN 19 CO 0.66 0.02 0.02 -0.63 -1.51 0.00 0.00 177.10 175.66 1saw s ILE 20 N -1.56 0.22 -0.07 0.60 1.01 -1.23 -2.60 121.20 117.57 1saw s ILE 20 Ca 0.11 0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.99 1saw s ILE 20 Cb -0.08 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.98 1saw s ILE 20 CO 0.05 0.22 -0.19 -0.69 0.00 0.00 0.00 174.94 174.34 1saw s VAL 21 N 1.86 2.64 -0.06 2.92 1.01 -0.47 -1.84 120.40 126.46 1saw s VAL 21 Ca 0.02 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1saw s VAL 21 Cb -0.12 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1saw s VAL 21 CO -0.04 0.57 -0.11 0.00 0.00 0.00 0.00 175.10 175.52 1saw s VAL 23 N 0.65 4.10 0.00 0.00 1.01 -0.23 -1.07 120.40 124.87 1saw s VAL 23 Ca -0.13 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1saw s VAL 23 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1saw s VAL 23 CO 0.03 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.43 1saw n GLY 24 N -0.52 1.39 3.59 4.51 0.00 0.72 -4.40 105.19 110.47 1saw n GLY 24 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1saw n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1saw s ARG 25 N 0.00 3.89 -0.00 1.61 3.52 -1.26 -4.59 118.95 122.11 1saw s ARG 25 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 1saw s ARG 25 Cb 0.00 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1saw s ARG 25 CO 0.00 0.20 0.72 -1.71 -0.81 0.00 0.00 175.30 173.69 1saw n ASN 26 N 3.75 0.03 -3.94 -2.12 5.15 -1.26 -4.79 115.26 112.09 1saw n ASN 26 Ca -0.17 -1.44 -0.16 0.00 -0.60 0.00 0.00 54.58 52.22 1saw n ASN 26 Cb 0.52 -0.09 -0.15 0.00 -0.53 0.00 0.00 39.78 39.54 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 -0.03 0.44 0.00 1.20 1.51 -1.26 -1.55 117.35 117.67 1saw s TYR 27 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1saw s TYR 27 Cb 0.00 -0.32 0.00 0.00 -0.11 0.00 0.00 41.96 41.54 1saw s TYR 27 CO 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 175.55 174.41 1saw n ALA 28 N 3.14 -0.10 -0.05 3.71 0.00 -1.26 -4.97 120.51 120.98 1saw n ALA 28 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 1saw n ALA 28 Cb 0.57 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.89 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 0.07 2.01 -4.20 0.00 3.41 -1.26 -4.97 113.62 108.68 1saw n SER 40 Ca 0.00 0.28 -0.13 0.00 -0.26 0.00 0.00 58.87 58.76 1saw n SER 40 Cb 0.00 -0.89 -0.10 0.00 -0.26 0.00 0.00 64.21 62.96 1saw n SER 40 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1saw s GLU 41 N -2.48 0.92 0.39 4.33 -1.05 -1.26 -5.14 118.70 114.41 1saw s GLU 41 Ca -0.26 -1.31 -0.26 0.00 -0.15 0.00 0.00 54.97 52.98 1saw s GLU 41 Cb 0.07 -0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 33.19 1saw s GLU 41 CO 0.68 0.05 1.26 -2.14 0.95 0.00 0.00 175.26 176.07 1saw s PRO 42 N -3.41 4.08 -0.02 -4.83 0.02 -1.26 -5.01 135.00 124.57 1saw s PRO 42 Ca 0.11 2.08 -0.23 0.00 0.02 0.00 0.00 61.00 62.97 1saw s PRO 42 Cb 0.01 -2.81 -0.05 0.00 0.02 0.00 0.00 34.50 31.68 1saw s PRO 42 CO -0.01 -0.37 0.70 0.08 -0.33 0.00 0.00 177.00 177.07 1saw s VAL 43 N -1.27 4.93 -0.05 3.83 1.01 -1.26 -4.96 120.40 122.63 1saw s VAL 43 Ca 0.55 1.46 0.06 0.00 0.00 0.00 0.00 61.98 64.04 1saw s VAL 43 Cb -0.36 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 1saw s VAL 43 CO 0.47 0.32 -0.22 -0.76 0.00 0.00 0.00 175.10 174.91 1saw s LEU 44 N 0.35 2.26 0.18 3.92 1.43 -1.26 -0.20 118.68 125.36 1saw s LEU 44 Ca 0.36 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1saw s LEU 44 Cb -0.19 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 1saw s LEU 44 CO 0.19 0.28 0.18 0.72 0.23 0.00 0.00 176.35 177.95 1saw s PHE 45 N -0.37 0.87 0.15 0.29 -0.12 -0.23 -4.98 117.98 113.59 1saw s PHE 45 Ca 0.03 -1.17 0.10 0.00 -0.05 0.00 0.00 56.93 55.85 1saw s PHE 45 Cb -0.12 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.86 1saw s PHE 45 CO 0.02 -0.67 -0.22 -0.51 -0.05 0.00 0.00 175.22 173.79 1saw s LEU 46 N -3.09 2.54 0.13 -1.99 1.43 -1.26 -0.22 118.68 116.22 1saw s LEU 46 Ca 0.30 -0.72 0.11 0.00 -1.03 0.00 0.00 54.13 52.79 1saw s LEU 46 Cb 0.06 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 1saw s LEU 46 CO 0.07 0.15 -0.26 -0.54 0.23 0.00 0.00 176.35 176.00 1saw s LYS 47 N -2.38 1.46 0.76 1.70 1.02 -0.76 -4.64 119.74 116.89 1saw s LYS 47 Ca 0.19 -1.32 -0.11 0.00 0.02 0.00 0.00 55.97 54.74 1saw s LYS 47 Cb -0.09 -1.93 0.05 0.00 -0.52 0.00 0.00 37.83 35.33 1saw s LYS 47 CO 0.09 0.46 1.09 -1.25 -0.92 0.00 0.00 175.35 174.82 1saw s PRO 48 N -2.05 2.41 0.39 -1.68 0.04 -1.26 -3.48 135.00 129.37 1saw s PRO 48 Ca 0.14 0.61 0.08 0.00 0.04 0.00 0.00 61.00 61.87 1saw s PRO 48 Cb -0.10 -1.96 0.84 0.00 0.04 0.00 0.00 34.50 33.32 1saw s PRO 48 CO 0.06 -1.39 2.01 0.66 0.04 0.00 0.00 177.00 178.38 1saw h SER 49 N -0.92 0.54 0.13 6.66 4.64 -1.87 -2.12 113.55 120.60 1saw h SER 49 Ca -0.46 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1saw h SER 49 Cb 1.26 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1saw h SER 49 CO 0.60 0.36 0.00 0.35 -0.87 0.00 0.00 176.83 177.28 1saw n THR 50 N -4.47 0.32 0.20 2.95 -2.24 -1.26 -1.57 114.28 108.21 1saw n THR 50 Ca 0.07 0.08 0.07 0.00 -2.27 0.00 0.00 64.05 62.00 1saw n THR 50 Cb 0.17 -0.86 0.38 0.00 -2.10 0.00 0.00 70.33 67.92 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 2.76 1.00 -2.18 6.98 0.00 -1.56 -2.76 119.26 123.51 1saw h ALA 51 Ca 0.00 -0.29 -0.59 0.00 0.00 0.00 0.00 54.91 54.03 1saw h ALA 51 Cb 0.06 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 17.84 1saw h ALA 51 CO 0.00 0.40 0.93 0.66 0.00 0.00 0.00 179.25 181.24 1saw n TYR 52 N -3.48 2.31 -3.84 0.00 0.53 -0.61 -0.55 117.16 111.53 1saw n TYR 52 Ca -0.00 0.14 -0.30 0.00 -1.02 0.00 0.00 57.90 56.71 1saw n TYR 52 Cb 0.48 -2.60 -0.14 0.00 -1.03 0.00 0.00 39.34 36.05 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 2.30 2.36 0.84 -0.72 0.00 -0.75 -4.57 121.76 121.22 1saw s ALA 53 Ca 0.85 -2.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.27 1saw s ALA 53 Cb -0.68 -1.88 0.10 0.00 0.00 0.00 0.00 23.12 20.66 1saw s ALA 53 CO 0.44 -1.85 1.11 -1.25 0.00 0.00 0.00 175.76 174.21 1saw s PRO 54 N 0.74 1.67 0.30 0.00 0.04 -1.26 -1.63 135.00 134.86 1saw s PRO 54 Ca 0.14 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 1saw s PRO 54 Cb -0.21 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 1saw s PRO 54 CO -0.09 -2.09 1.51 -1.91 0.04 0.00 0.00 177.00 174.46 1saw n GLU 55 N -3.84 2.50 0.00 4.56 2.13 -1.21 -1.03 120.64 123.75 1saw n GLU 55 Ca 0.10 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.80 1saw n GLU 55 Cb 0.53 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.62 1saw n GLU 55 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1saw n GLY 56 N 1.77 0.73 3.62 8.31 0.00 -1.26 -5.07 105.19 113.28 1saw n GLY 56 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.84 4.71 0.48 1.61 0.01 -0.20 -5.12 113.70 113.35 1saw s SER 57 Ca 0.00 -0.16 -0.16 0.00 1.31 0.00 0.00 55.95 56.94 1saw s SER 57 Cb 0.00 -1.10 -0.08 0.00 0.21 0.00 0.00 66.02 65.05 1saw s SER 57 CO 0.00 0.26 0.93 -2.16 0.41 0.00 0.00 173.24 172.67 1saw s PRO 58 N -1.64 3.94 0.13 12.44 0.04 -1.26 -4.72 135.00 143.93 1saw s PRO 58 Ca 0.19 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 1saw s PRO 58 Cb -0.11 -2.21 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 1saw s PRO 58 CO 0.10 -0.18 1.24 0.42 0.04 0.00 0.00 177.00 178.62 1saw s ILE 59 N -2.50 3.68 -0.19 0.56 1.01 -0.80 -4.88 121.20 118.08 1saw s ILE 59 Ca 0.57 1.29 -0.04 0.00 0.00 0.00 0.00 60.65 62.48 1saw s ILE 59 Cb -0.10 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1saw s ILE 59 CO 0.29 0.15 -0.04 -0.76 0.00 0.00 0.00 174.94 174.57 1saw s LEU 60 N 0.49 3.03 -0.19 2.97 1.43 -1.26 -1.11 118.68 124.04 1saw s LEU 60 Ca 0.57 -0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 53.15 1saw s LEU 60 Cb -0.32 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1saw s LEU 60 CO 0.33 0.07 0.82 -0.32 0.23 0.00 0.00 176.35 177.47 1saw s MET 61 N 0.95 4.26 0.59 1.70 -2.45 -0.55 -4.84 119.30 118.96 1saw s MET 61 Ca -0.00 0.97 -0.20 0.00 -1.25 0.00 0.00 55.69 55.21 1saw s MET 61 Cb -0.15 -3.59 -0.03 0.00 1.25 0.00 0.00 34.83 32.31 1saw s MET 61 CO 0.01 -0.38 1.31 -2.14 1.05 0.00 0.00 175.02 174.87 1saw s PRO 62 N 2.33 2.92 0.38 4.11 0.02 -1.26 -4.50 135.00 138.99 1saw s PRO 62 Ca 0.37 2.10 0.28 0.00 0.02 0.00 0.00 61.00 63.76 1saw s PRO 62 Cb -0.16 -2.06 1.02 0.00 0.02 0.00 0.00 34.50 33.32 1saw s PRO 62 CO 0.11 -1.32 1.81 0.00 -0.33 0.00 0.00 177.00 177.26 1saw h ALA 63 N 1.05 1.00 -0.05 -1.55 0.00 -2.01 -3.24 119.26 114.46 1saw h ALA 63 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1saw h ALA 63 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1saw h ALA 63 CO 0.55 0.00 0.00 2.48 0.00 0.00 0.00 179.25 182.28 1saw n TYR 64 N -2.65 0.04 -4.31 0.00 0.18 -1.26 -4.91 117.16 104.26 1saw n TYR 64 Ca 0.02 -0.02 -0.29 0.00 1.88 0.00 0.00 57.90 59.49 1saw n TYR 64 Cb 0.32 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.17 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 -1.96 2.89 -0.13 -3.48 -1.32 -1.23 -4.96 115.64 105.46 1saw s THR 65 Ca 0.36 -1.47 0.16 0.00 -1.21 0.00 0.00 61.69 59.53 1saw s THR 65 Cb 0.20 -2.32 0.41 0.00 -1.51 0.00 0.00 72.50 69.28 1saw s THR 65 CO 0.32 0.11 1.19 -2.11 -2.21 0.00 0.00 174.62 171.92 1saw n ARG 66 N 0.81 0.97 -2.71 7.08 1.85 -1.26 -4.90 116.66 118.49 1saw n ARG 66 Ca -0.15 -2.76 -0.04 0.00 -1.00 0.00 0.00 57.85 53.89 1saw n ARG 66 Cb 0.53 -1.00 0.04 0.00 -1.05 0.00 0.00 32.46 30.97 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 -0.52 -2.29 -4.66 2.89 4.05 -1.26 -5.05 115.26 108.43 1saw n ASN 67 Ca 0.14 -2.07 -0.39 0.00 0.45 0.00 0.00 54.58 52.72 1saw n ASN 67 Cb 0.86 1.22 -0.08 0.00 1.23 0.00 0.00 39.78 43.01 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 0.51 4.13 0.13 1.20 2.96 -1.26 -1.65 118.68 124.70 1saw s LEU 68 Ca 0.27 0.52 0.05 0.00 -0.22 0.00 0.00 54.13 54.75 1saw s LEU 68 Cb 0.12 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 1saw s LEU 68 CO -0.11 -0.12 0.06 -1.00 -1.32 0.00 0.00 176.35 173.86 1saw s HIS 69 N 1.53 3.06 -0.02 5.38 3.76 0.60 -1.23 115.29 128.38 1saw s HIS 69 Ca 0.20 -0.02 -0.13 0.00 -0.15 0.00 0.00 55.06 54.96 1saw s HIS 69 Cb -0.15 -1.52 -0.05 0.00 1.11 0.00 0.00 32.58 31.97 1saw s HIS 69 CO 0.09 0.51 0.36 -3.38 -0.85 0.00 0.00 174.74 171.46 1saw s HIS 70 N -1.56 3.69 -0.21 1.40 -3.43 -0.73 -1.94 115.29 112.51 1saw s HIS 70 Ca 0.29 0.89 -0.02 0.00 -0.80 0.00 0.00 55.06 55.42 1saw s HIS 70 Cb -0.11 -2.21 0.06 0.00 -1.43 0.00 0.00 32.58 28.89 1saw s HIS 70 CO 0.21 0.65 0.02 -1.21 -2.00 0.00 0.00 174.74 172.41 1saw s GLU 71 N -1.15 0.87 -0.07 -0.38 2.02 -1.25 -3.95 118.70 114.81 1saw s GLU 71 Ca 0.23 -0.59 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 1saw s GLU 71 Cb -0.16 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 1saw s GLU 71 CO 0.12 -0.66 1.08 -1.17 0.02 0.00 0.00 175.26 174.65 1saw s LEU 72 N 1.74 4.28 -0.06 1.80 2.96 -1.26 -0.93 118.68 127.20 1saw s LEU 72 Ca -0.01 1.67 -0.09 0.00 -0.22 0.00 0.00 54.13 55.48 1saw s LEU 72 Cb -0.17 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 42.97 1saw s LEU 72 CO -0.09 -0.47 0.23 -1.61 -1.32 0.00 0.00 176.35 173.09 1saw s GLU 73 N 1.90 0.37 0.00 1.98 2.02 -0.57 -4.04 118.70 120.36 1saw s GLU 73 Ca 0.52 0.13 -0.28 0.00 0.02 0.00 0.00 54.97 55.35 1saw s GLU 73 Cb -0.21 0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.15 1saw s GLU 73 CO 0.21 -0.07 0.90 -1.17 0.02 0.00 0.00 175.26 175.15 1saw s LEU 74 N -0.35 4.38 -0.11 1.80 2.96 -1.26 -0.85 118.68 125.26 1saw s LEU 74 Ca -0.05 1.56 -0.05 0.00 -0.22 0.00 0.00 54.13 55.37 1saw s LEU 74 Cb -0.03 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1saw s LEU 74 CO 0.01 -0.18 0.08 -0.83 -1.32 0.00 0.00 176.35 174.11 1saw s GLY 75 N 0.75 2.02 -0.24 7.98 0.00 0.13 -1.57 107.32 116.39 1saw s GLY 75 Ca 0.47 -0.71 -0.05 0.00 0.00 0.00 0.00 44.72 44.43 1saw s GLY 75 CO 0.26 -0.46 -0.00 0.14 0.00 0.00 0.00 173.10 173.03 1saw s VAL 76 N -0.95 3.61 -0.19 1.40 1.01 -0.28 -1.69 120.40 123.30 1saw s VAL 76 Ca 0.14 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 1saw s VAL 76 Cb -0.12 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1saw s VAL 76 CO 0.03 0.33 0.27 -0.69 0.00 0.00 0.00 175.10 175.05 1saw s VAL 77 N 1.50 5.30 -0.06 2.92 1.01 -0.32 -1.46 120.40 129.28 1saw s VAL 77 Ca 0.05 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 1saw s VAL 77 Cb -0.15 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1saw s VAL 77 CO -0.01 0.35 0.98 -0.04 0.00 0.00 0.00 175.10 176.37 1saw s MET 78 N 0.81 4.48 -0.01 2.72 -1.94 0.11 -0.94 119.30 124.53 1saw s MET 78 Ca 0.14 1.37 0.15 0.00 -1.71 0.00 0.00 55.69 55.65 1saw s MET 78 Cb -0.13 -3.50 -0.19 0.00 2.01 0.00 0.00 34.83 33.01 1saw s MET 78 CO 0.04 -0.18 0.68 0.41 -0.01 0.00 0.00 175.02 175.96 1saw n GLY 79 N 3.02 -1.09 3.18 -0.03 0.00 0.15 -0.60 105.19 109.82 1saw n GLY 79 Ca 0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1saw n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1saw s LYS 80 N -2.76 1.03 0.15 1.61 -2.85 -1.15 -4.81 119.74 110.97 1saw s LYS 80 Ca -0.04 -1.49 -0.32 0.00 -1.00 0.00 0.00 55.97 53.12 1saw s LYS 80 Cb 0.08 0.26 -0.12 0.00 -2.06 0.00 0.00 37.83 35.99 1saw s LYS 80 CO 0.82 -0.32 1.73 -2.13 0.10 0.00 0.00 175.35 175.56 1saw n ARG 81 N -0.16 2.57 -3.89 1.78 0.63 -1.26 -4.30 116.66 112.03 1saw n ARG 81 Ca -0.03 0.93 -0.30 0.00 -0.92 0.00 0.00 57.85 57.53 1saw n ARG 81 Cb 0.64 -2.77 -0.15 0.00 0.45 0.00 0.00 32.46 30.63 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 1.37 1.81 -1.29 0.00 3.52 -1.26 -1.78 118.95 121.32 1saw s ARG 83 Ca 0.02 -1.04 -0.07 0.00 -0.13 0.00 0.00 55.73 54.52 1saw s ARG 83 Cb -0.18 -2.62 -0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1saw s ARG 83 CO -0.12 -0.56 0.61 0.00 -0.81 0.00 0.00 175.30 174.42 1saw n ALA 84 N 4.62 -2.19 -2.48 6.12 0.00 -0.36 -4.95 120.51 121.28 1saw n ALA 84 Ca -0.13 -0.23 -0.36 0.00 0.00 0.00 0.00 53.44 52.72 1saw n ALA 84 Cb 0.44 -2.47 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 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 -3.73 4.99 0.68 0.00 -7.23 -1.26 -4.91 120.40 108.94 1saw s VAL 85 Ca 0.15 0.69 -0.14 0.00 -1.81 0.00 0.00 61.98 60.86 1saw s VAL 85 Cb -0.05 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.20 1saw s VAL 85 CO 0.86 0.35 1.11 -2.16 -0.31 0.00 0.00 175.10 174.95 1saw s PRO 86 N -1.71 2.69 0.26 4.82 0.04 -1.26 -4.42 135.00 135.42 1saw s PRO 86 Ca 0.32 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 62.73 1saw s PRO 86 Cb -0.15 -1.94 0.53 0.00 0.04 0.00 0.00 34.50 32.98 1saw s PRO 86 CO 0.17 -1.34 1.71 0.93 0.04 0.00 0.00 177.00 178.52 1saw h GLU 87 N -0.12 0.39 0.00 4.56 5.08 -1.96 -1.91 114.58 120.62 1saw h GLU 87 Ca -0.46 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 1saw h GLU 87 Cb 1.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1saw h GLU 87 CO 0.53 0.26 -0.26 0.00 -1.00 0.00 0.00 179.01 178.54 1saw h ALA 88 N 1.60 1.16 0.00 3.43 0.00 -1.92 -2.70 119.26 120.83 1saw h ALA 88 Ca 0.45 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1saw h ALA 88 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1saw h ALA 88 CO -0.46 0.32 -1.06 0.00 0.00 0.00 0.00 179.25 178.05 1saw n ALA 89 N -2.30 3.06 -0.30 0.00 0.00 -0.82 -4.54 120.51 115.60 1saw n ALA 89 Ca -0.01 -0.35 0.13 0.00 0.00 0.00 0.00 53.44 53.21 1saw n ALA 89 Cb 0.39 -1.01 0.38 0.00 0.00 0.00 0.00 19.45 19.20 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 2.35 1.84 0.00 0.00 0.00 -1.02 -0.90 119.26 121.53 1saw h ALA 90 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1saw h ALA 90 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1saw h ALA 90 CO 0.00 -0.13 0.00 -1.33 0.00 0.00 0.00 179.25 177.79 1saw n MET 91 N -4.61 0.16 0.21 0.00 2.81 -1.26 -1.82 117.12 112.61 1saw n MET 91 Ca 0.20 0.32 0.10 0.00 -1.81 0.00 0.00 57.70 56.51 1saw n MET 91 Cb 0.54 -1.76 0.38 0.00 -0.71 0.00 0.00 33.22 31.67 1saw n MET 91 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1saw h ASP 92 N 0.00 0.00 0.44 7.83 3.45 -1.48 -3.17 116.42 123.50 1saw h ASP 92 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1saw h ASP 92 Cb 0.43 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 1saw h ASP 92 CO 0.00 0.22 -0.30 -1.22 -1.57 0.00 0.00 179.24 176.37 1saw n TYR 93 N -3.30 0.00 -2.98 4.55 4.02 -0.76 -4.77 117.16 113.93 1saw n TYR 93 Ca 0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.50 1saw n TYR 93 Cb 0.48 -0.22 -0.05 0.00 -0.02 0.00 0.00 39.34 39.53 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 -2.74 4.85 -0.20 -0.72 1.01 -1.20 0.30 120.40 121.70 1saw s VAL 94 Ca 0.19 1.61 0.01 0.00 0.00 0.00 0.00 61.98 63.79 1saw s VAL 94 Cb 0.19 -4.11 -0.21 0.00 0.00 0.00 0.00 36.38 32.25 1saw s VAL 94 CO 0.58 0.31 0.01 0.61 0.00 0.00 0.00 175.10 176.61 1saw n GLY 95 N 2.67 -0.51 0.00 4.51 0.00 -0.12 -4.49 105.19 107.26 1saw n GLY 95 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 2.10 1.42 3.25 -0.02 0.00 -1.07 -2.41 105.19 108.47 1saw n GLY 96 Ca -0.39 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.48 -0.03 -0.06 1.61 1.51 0.03 -1.18 117.35 118.75 1saw s TYR 97 Ca 0.00 -0.29 -0.14 0.00 -1.01 0.00 0.00 57.07 55.64 1saw s TYR 97 Cb 0.00 0.08 0.03 0.00 -0.11 0.00 0.00 41.96 41.96 1saw s TYR 97 CO 0.00 -0.58 0.32 0.00 -1.11 0.00 0.00 175.55 174.18 1saw s ALA 98 N -3.49 -0.81 -0.00 3.71 0.00 -0.68 -0.66 121.76 119.83 1saw s ALA 98 Ca 0.02 0.56 -0.26 0.00 0.00 0.00 0.00 51.96 52.28 1saw s ALA 98 Cb 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1saw s ALA 98 CO -0.09 -0.22 0.83 -1.17 0.00 0.00 0.00 175.76 175.10 1saw s LEU 99 N -0.76 4.38 0.18 0.00 2.96 -1.26 0.19 118.68 124.36 1saw s LEU 99 Ca -0.08 1.45 0.07 0.00 -0.22 0.00 0.00 54.13 55.35 1saw s LEU 99 Cb -0.04 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 1saw s LEU 99 CO 0.03 -0.13 -0.15 0.00 -1.32 0.00 0.00 176.35 174.78 1saw s LEU 101 N -3.02 2.57 -1.19 0.00 1.43 -0.93 -1.52 118.68 116.02 1saw s LEU 101 Ca 0.18 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1saw s LEU 101 Cb -0.02 -1.58 0.20 0.00 0.03 0.00 0.00 46.19 44.82 1saw s LEU 101 CO 0.05 0.11 1.43 -0.67 0.23 0.00 0.00 176.35 177.51 1saw n ASP 102 N 3.90 5.34 -4.73 2.29 2.03 -0.11 -3.64 116.55 121.63 1saw n ASP 102 Ca -0.19 -3.03 -0.42 0.00 0.52 0.00 0.00 54.79 51.67 1saw n ASP 102 Cb 0.52 -1.50 -0.02 0.00 -0.72 0.00 0.00 41.12 39.40 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 0.53 4.12 -0.07 -0.67 -1.94 -0.64 -3.76 119.30 116.86 1saw s MET 103 Ca 0.39 2.62 -0.00 0.00 -1.71 0.00 0.00 55.69 56.98 1saw s MET 103 Cb -0.02 -3.05 0.02 0.00 2.01 0.00 0.00 34.83 33.79 1saw s MET 103 CO -0.01 -0.72 -0.03 0.99 -0.01 0.00 0.00 175.02 175.24 1saw s THR 104 N 0.78 0.56 -1.00 2.05 2.01 -0.82 -4.68 115.64 114.53 1saw s THR 104 Ca 0.71 -0.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.43 1saw s THR 104 Cb -0.49 -0.64 0.05 0.00 0.01 0.00 0.00 72.50 71.43 1saw s THR 104 CO 0.38 0.27 1.44 0.00 -0.69 0.00 0.00 174.62 176.01 1saw s ALA 105 N 1.51 2.72 0.29 7.40 0.00 0.06 -0.29 121.76 133.45 1saw s ALA 105 Ca -0.01 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 49.73 1saw s ALA 105 Cb -0.13 -4.51 0.52 0.00 0.00 0.00 0.00 23.12 19.00 1saw s ALA 105 CO -0.04 -3.59 1.90 -0.09 0.00 0.00 0.00 175.76 173.94 1saw h ARG 106 N 9.80 1.01 -0.49 0.00 9.65 -1.60 -2.11 114.38 130.64 1saw h ARG 106 Ca 0.17 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.89 1saw h ARG 106 Cb 1.01 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.35 1saw h ARG 106 CO 1.42 0.67 -0.10 0.38 2.80 0.00 0.00 179.97 185.14 1saw h ASP 107 N 1.04 0.88 -0.44 -3.80 2.03 -1.90 -1.98 116.42 112.26 1saw h ASP 107 Ca 0.41 -0.27 -0.09 0.00 -0.73 0.00 0.00 57.03 56.35 1saw h ASP 107 Cb 0.24 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1saw h ASP 107 CO -0.16 1.00 -0.06 0.58 -1.03 0.00 0.00 179.24 179.56 1saw h VAL 108 N 0.80 1.26 0.11 4.15 2.07 -1.80 -2.98 116.25 119.86 1saw h VAL 108 Ca 0.13 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1saw h VAL 108 Cb 0.61 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1saw h VAL 108 CO 0.04 0.40 -0.05 -0.61 0.02 0.00 0.00 177.57 177.37 1saw h GLN 109 N 0.80 -0.14 -0.82 1.57 4.15 -1.05 -1.70 115.11 117.91 1saw h GLN 109 Ca 0.14 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.77 1saw h GLN 109 Cb 0.56 0.03 -0.13 0.00 0.21 0.00 0.00 27.48 28.16 1saw h GLN 109 CO 0.03 0.12 0.21 -0.44 -1.93 0.00 0.00 178.83 176.82 1saw h ASP 110 N -0.39 0.02 -0.30 -0.69 3.32 -1.37 -0.63 116.42 116.37 1saw h ASP 110 Ca -0.02 0.17 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1saw h ASP 110 Cb 0.32 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1saw h ASP 110 CO 0.02 -0.09 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.00 1saw h GLU 111 N 0.25 0.73 -0.47 3.56 3.07 -1.34 -2.62 114.58 117.75 1saw h GLU 111 Ca 0.49 -0.24 -0.05 0.00 -0.50 0.00 0.00 59.36 59.05 1saw h GLU 111 Cb 0.91 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 1saw h GLU 111 CO -0.58 0.83 0.09 0.00 -1.40 0.00 0.00 179.01 177.94 1saw h LYS 113 N 0.65 0.97 -0.21 0.00 1.57 -1.23 -0.91 116.57 117.41 1saw h LYS 113 Ca 0.15 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1saw h LYS 113 Cb 0.37 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1saw h LYS 113 CO 0.01 0.64 -0.24 0.87 -0.57 0.00 0.00 179.45 180.16 1saw h LYS 114 N 0.99 0.39 -0.01 3.15 6.56 -1.20 -3.27 116.57 123.19 1saw h LYS 114 Ca 0.32 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 1saw h LYS 114 Cb 0.02 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 1saw h LYS 114 CO -0.12 0.61 -0.48 1.63 -2.06 0.00 0.00 179.45 179.03 1saw n LYS 115 N -4.14 1.63 -2.05 3.15 4.01 -0.77 -4.97 118.16 115.01 1saw n LYS 115 Ca -0.00 -0.58 -0.08 0.00 -0.51 0.00 0.00 58.31 57.13 1saw n LYS 115 Cb 0.38 -1.29 -0.01 0.00 -0.51 0.00 0.00 35.03 33.60 1saw n LYS 115 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1saw n GLY 116 N 1.25 0.15 3.92 0.72 0.00 -0.69 -5.05 105.19 105.49 1saw n GLY 116 Ca 0.06 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.29 3.97 0.51 0.99 1.43 -0.43 -5.04 118.68 117.82 1saw s LEU 117 Ca 0.00 0.68 -0.21 0.00 -1.03 0.00 0.00 54.13 53.57 1saw s LEU 117 Cb 0.00 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.62 1saw s LEU 117 CO 0.00 -0.29 1.15 -2.16 0.23 0.00 0.00 176.35 175.28 1saw s PRO 118 N -3.98 3.48 0.00 1.29 0.04 -1.26 -4.62 135.00 129.94 1saw s PRO 118 Ca 0.43 1.71 0.08 0.00 0.04 0.00 0.00 61.00 63.26 1saw s PRO 118 Cb -0.10 -2.16 0.49 0.00 0.04 0.00 0.00 34.50 32.77 1saw s PRO 118 CO 0.34 -0.77 1.32 0.91 0.04 0.00 0.00 177.00 178.84 1saw n TRP 119 N -1.00 0.00 -0.13 0.56 7.02 -1.26 -4.56 117.44 118.07 1saw n TRP 119 Ca 0.10 -0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.49 1saw n TRP 119 Cb 0.50 0.00 -0.04 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 0.01 0.13 -0.11 -0.99 2.02 -1.92 -0.57 112.91 111.48 1saw h THR 120 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1saw h THR 120 Cb 0.00 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1saw h THR 120 CO 0.00 0.00 -0.26 -0.07 0.37 0.00 0.00 175.52 175.56 1saw h LEU 121 N -0.31 0.20 -0.60 2.58 3.38 -1.93 0.17 115.31 118.80 1saw h LEU 121 Ca 0.15 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1saw h LEU 121 Cb 0.58 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1saw h LEU 121 CO -0.57 0.46 -0.62 0.00 0.09 0.00 0.00 178.44 177.80 1saw h ALA 122 N 1.56 0.84 0.00 1.53 0.00 -1.62 -3.41 119.26 118.15 1saw h ALA 122 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1saw h ALA 122 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1saw h ALA 122 CO 0.04 0.78 -0.10 1.63 0.00 0.00 0.00 179.25 181.60 1saw n LYS 123 N -3.61 3.68 -1.02 0.00 4.76 -0.30 -0.76 118.16 120.91 1saw n LYS 123 Ca -0.00 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.48 1saw n LYS 123 Cb 0.66 -0.37 0.09 0.00 -1.84 0.00 0.00 35.03 33.57 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 -0.61 1.21 -4.93 4.39 7.64 0.57 -4.80 113.62 117.10 1saw n SER 124 Ca 0.00 -2.67 -0.21 0.00 1.01 0.00 0.00 58.87 56.99 1saw n SER 124 Cb 0.00 -0.37 0.05 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.21 2.61 0.24 1.43 -0.12 -1.26 -4.41 117.98 115.26 1saw s PHE 125 Ca 0.32 -0.07 -0.31 0.00 -0.05 0.00 0.00 56.93 56.81 1saw s PHE 125 Cb 0.34 -2.78 -0.14 0.00 -0.63 0.00 0.00 43.02 39.81 1saw s PHE 125 CO -0.11 -1.03 1.39 2.41 -0.05 0.00 0.00 175.22 177.83 1saw n THR 126 N -2.43 0.96 -2.28 -4.49 -1.04 -1.26 -1.99 114.28 101.76 1saw n THR 126 Ca 0.09 -0.24 -0.19 0.00 -2.04 0.00 0.00 64.05 61.67 1saw n THR 126 Cb 0.60 -1.43 -0.02 0.00 -1.82 0.00 0.00 70.33 67.66 1saw n THR 126 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1saw n ALA 127 N 1.84 -0.60 1.45 2.41 0.00 -1.04 -4.55 120.51 120.02 1saw n ALA 127 Ca 0.12 0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.86 1saw n ALA 127 Cb 0.31 -2.01 0.50 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.84 1.38 -3.27 0.00 3.41 -0.84 -4.20 113.62 108.27 1saw n SER 128 Ca -0.22 -1.54 -0.25 0.00 -0.26 0.00 0.00 58.87 56.60 1saw n SER 128 Cb 0.66 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.50 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 1.43 1.38 -3.73 0.00 -0.04 -1.24 -1.81 135.00 130.99 1saw n PRO 130 Ca 0.23 0.52 -0.12 0.00 -0.04 0.00 0.00 63.50 64.09 1saw n PRO 130 Cb 0.50 -2.44 -0.11 0.00 -0.04 0.00 0.00 33.50 31.41 1saw n PRO 130 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1saw s VAL 131 N -1.35 -0.01 1.04 0.52 0.11 -0.64 -2.18 120.40 117.88 1saw s VAL 131 Ca 0.74 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 59.66 1saw s VAL 131 Cb -0.42 -0.55 0.23 0.00 -1.53 0.00 0.00 36.38 34.11 1saw s VAL 131 CO 0.47 0.01 1.25 -0.94 -3.33 0.00 0.00 175.10 172.57 1saw s SER 132 N 0.59 2.40 0.78 3.54 1.04 -0.46 -3.35 113.70 118.24 1saw s SER 132 Ca -0.03 0.40 -0.15 0.00 0.48 0.00 0.00 55.95 56.65 1saw s SER 132 Cb -0.05 -0.52 0.02 0.00 0.10 0.00 0.00 66.02 65.57 1saw s SER 132 CO -0.04 -3.19 0.79 0.00 0.98 0.00 0.00 173.24 171.79 1saw n ALA 133 N -4.10 -0.98 -2.16 5.32 0.00 -1.26 -4.77 120.51 112.57 1saw n ALA 133 Ca 0.14 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 1saw n ALA 133 Cb 0.59 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 1saw n ALA 133 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1saw s PHE 134 N -2.02 3.44 -0.35 0.00 5.36 -1.26 -4.60 117.98 118.55 1saw s PHE 134 Ca 0.68 1.38 -0.04 0.00 -0.96 0.00 0.00 56.93 57.99 1saw s PHE 134 Cb -0.31 -3.43 0.06 0.00 -0.34 0.00 0.00 43.02 39.01 1saw s PHE 134 CO 0.56 -1.22 0.11 0.08 -1.46 0.00 0.00 175.22 173.28 1saw s VAL 135 N 0.28 3.43 0.51 3.12 1.01 0.16 -4.98 120.40 123.92 1saw s VAL 135 Ca 0.55 -1.48 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1saw s VAL 135 Cb -0.32 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 1saw s VAL 135 CO 0.34 -0.31 1.00 -2.65 0.00 0.00 0.00 175.10 173.48 1saw n PRO 136 N 4.70 1.19 0.14 2.72 -0.02 -1.26 -0.79 135.00 141.68 1saw n PRO 136 Ca -0.10 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 1saw n PRO 136 Cb 0.43 -2.12 0.51 0.00 -0.02 0.00 0.00 33.50 32.30 1saw n PRO 136 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1saw h LYS 137 N 1.09 0.00 0.00 -0.52 2.10 -1.80 -1.71 116.57 115.74 1saw h LYS 137 Ca -0.47 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.11 1saw h LYS 137 Cb 1.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.67 1saw h LYS 137 CO 0.54 0.00 -0.36 0.93 -2.00 0.00 0.00 179.45 178.56 1saw h GLU 138 N 0.00 0.00 0.00 0.07 3.07 -1.89 -2.59 114.58 113.24 1saw h GLU 138 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1saw h GLU 138 Cb 0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1saw h GLU 138 CO 0.00 0.36 -0.24 0.87 -1.40 0.00 0.00 179.01 178.60 1saw h LYS 139 N 0.00 0.00 -3.90 2.33 1.57 -1.66 -3.39 116.57 111.51 1saw h LYS 139 Ca -0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1saw h LYS 139 Cb 0.63 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.55 1saw h LYS 139 CO 0.05 0.24 -0.62 0.42 -0.57 0.00 0.00 179.45 178.97 1saw s ILE 140 N -3.38 2.70 0.41 1.86 1.01 -0.97 -4.96 121.20 117.86 1saw s ILE 140 Ca 0.03 -2.88 0.18 0.00 0.00 0.00 0.00 60.65 57.98 1saw s ILE 140 Cb 0.08 -2.89 0.19 0.00 0.01 0.00 0.00 42.46 39.85 1saw s ILE 140 CO 0.66 -0.74 1.96 1.55 0.00 0.00 0.00 174.94 178.37 1saw h PRO 141 N 7.03 0.00 -2.93 2.79 0.13 -1.78 -3.40 132.00 133.84 1saw h PRO 141 Ca -0.06 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.64 1saw h PRO 141 Cb 0.95 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.68 1saw h PRO 141 CO 0.64 0.23 -0.72 0.34 -0.23 0.00 0.00 178.00 178.26 1saw s ASP 142 N -6.72 2.10 0.00 1.44 -1.08 -1.26 -5.02 116.67 106.13 1saw s ASP 142 Ca -0.03 -0.51 0.24 0.00 -0.52 0.00 0.00 52.55 51.73 1saw s ASP 142 Cb 0.14 -0.09 1.20 0.00 -1.46 0.00 0.00 42.92 42.71 1saw s ASP 142 CO 0.67 -0.34 1.80 -0.81 0.52 0.00 0.00 175.17 177.02 1saw n PRO 143 N 5.29 0.29 -0.23 4.34 -0.04 -1.26 -2.82 135.00 140.57 1saw n PRO 143 Ca -0.07 0.06 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1saw n PRO 143 Cb 0.49 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.32 0.61 -1.97 0.54 8.25 -1.26 -4.06 115.22 116.01 1saw n HIS 144 Ca 0.11 -0.30 -0.06 0.00 -0.26 0.00 0.00 57.72 57.20 1saw n HIS 144 Cb 0.21 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.42 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 0.97 2.21 -3.95 -0.41 5.02 -1.13 -2.29 118.16 118.59 1saw n LYS 145 Ca 0.17 -3.52 -0.21 0.00 -2.02 0.00 0.00 58.31 52.74 1saw n LYS 145 Cb 0.44 -1.70 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 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 -3.09 4.29 -0.11 -0.35 1.43 -1.26 -4.98 118.68 114.61 1saw s LEU 146 Ca 0.41 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1saw s LEU 146 Cb 0.38 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 43.78 1saw s LEU 146 CO -0.04 -0.09 -0.10 -0.75 0.23 0.00 0.00 176.35 175.61 1saw s LYS 147 N -3.99 1.69 0.10 1.70 2.47 -1.26 -2.19 119.74 118.25 1saw s LYS 147 Ca 0.35 -0.33 0.06 0.00 -1.56 0.00 0.00 55.97 54.48 1saw s LYS 147 Cb -0.09 -1.65 -0.04 0.00 -1.46 0.00 0.00 37.83 34.59 1saw s LYS 147 CO 0.29 -0.21 -0.05 -0.51 0.16 0.00 0.00 175.35 175.03 1saw s LEU 148 N 1.50 3.26 0.10 5.43 1.43 -0.28 -1.71 118.68 128.41 1saw s LEU 148 Ca 0.02 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 1saw s LEU 148 Cb -0.13 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.08 1saw s LEU 148 CO -0.07 0.18 0.32 -1.66 0.23 0.00 0.00 176.35 175.35 1saw s TRP 149 N -1.27 -0.07 -0.20 0.29 1.48 -0.84 -2.30 118.94 116.03 1saw s TRP 149 Ca 0.24 -0.25 -0.15 0.00 -1.06 0.00 0.00 56.10 54.88 1saw s TRP 149 Cb -0.11 0.13 0.06 0.00 -1.16 0.00 0.00 33.47 32.38 1saw s TRP 149 CO 0.16 -0.61 0.51 -1.17 -4.06 0.00 0.00 176.95 171.77 1saw s LEU 150 N -2.69 -0.16 0.00 -4.66 0.20 -0.31 -1.78 118.68 109.29 1saw s LEU 150 Ca 0.02 1.06 0.08 0.00 0.69 0.00 0.00 54.13 55.98 1saw s LEU 150 Cb 0.02 1.72 -0.02 0.00 -0.43 0.00 0.00 46.19 47.48 1saw s LEU 150 CO -0.10 -0.19 -0.25 -0.54 -0.29 0.00 0.00 176.35 174.98 1saw s LYS 151 N 0.86 2.03 -0.31 1.98 1.02 0.18 -1.28 119.74 124.22 1saw s LYS 151 Ca -0.05 -0.98 -0.05 0.00 0.02 0.00 0.00 55.97 54.92 1saw s LYS 151 Cb -0.05 -2.06 0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1saw s LYS 151 CO -0.07 0.55 0.06 0.08 -0.92 0.00 0.00 175.35 175.05 1saw s VAL 152 N -0.71 3.57 -1.09 3.17 1.01 -0.76 -1.67 120.40 123.93 1saw s VAL 152 Ca 0.11 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 1saw s VAL 152 Cb -0.10 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1saw s VAL 152 CO 0.01 -0.08 0.76 0.59 0.00 0.00 0.00 175.10 176.38 1saw n ASN 153 N 4.77 -5.27 0.00 3.32 3.02 -0.26 -3.10 115.26 117.74 1saw n ASN 153 Ca -0.13 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 1saw n ASN 153 Cb 0.45 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 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 -1.55 1.29 3.46 7.41 0.00 -1.26 -5.04 105.19 109.50 1saw n GLY 154 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1saw n GLY 154 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1saw s GLU 155 N -0.37 3.21 0.09 1.61 1.03 -1.18 -5.02 118.70 118.07 1saw s GLU 155 Ca 0.00 -0.61 -0.31 0.00 0.03 0.00 0.00 54.97 54.08 1saw s GLU 155 Cb 0.00 -2.66 -0.08 0.00 -0.80 0.00 0.00 34.13 30.58 1saw s GLU 155 CO 0.00 0.37 1.52 -1.17 -1.33 0.00 0.00 175.26 174.66 1saw s LEU 156 N -0.04 4.36 0.00 1.83 2.96 -1.26 -1.82 118.68 124.71 1saw s LEU 156 Ca -0.01 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 1saw s LEU 156 Cb -0.14 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1saw s LEU 156 CO 0.03 -0.79 0.00 0.54 -1.32 0.00 0.00 176.35 174.82 1saw n ARG 157 N 4.78 0.00 -4.90 1.98 5.12 -0.40 -4.94 116.66 118.29 1saw n ARG 157 Ca 0.14 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.73 1saw n ARG 157 Cb 0.41 -0.57 -0.16 0.00 -1.16 0.00 0.00 32.46 30.99 1saw n ARG 157 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1saw s GLN 158 N -1.74 3.21 -0.03 5.56 -0.21 -1.10 -4.46 119.66 120.90 1saw s GLN 158 Ca 0.00 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.62 1saw s GLN 158 Cb 0.00 -2.49 0.01 0.00 1.00 0.00 0.00 33.01 31.53 1saw s GLN 158 CO 0.00 0.16 -0.06 -1.21 -2.12 0.00 0.00 175.29 172.06 1saw s GLU 159 N 0.44 0.71 0.11 2.91 2.02 -1.26 -1.16 118.70 122.49 1saw s GLU 159 Ca -0.13 -0.17 -0.09 0.00 0.02 0.00 0.00 54.97 54.59 1saw s GLU 159 Cb -0.17 -0.71 0.00 0.00 0.10 0.00 0.00 34.13 33.36 1saw s GLU 159 CO 0.06 0.03 0.23 0.20 0.02 0.00 0.00 175.26 175.80 1saw s GLY 160 N 0.42 0.14 -0.11 -1.39 0.00 -0.97 -4.45 107.32 100.96 1saw s GLY 160 Ca -0.05 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.06 1saw s GLY 160 CO 0.00 -0.76 -0.17 -0.54 0.00 0.00 0.00 173.10 171.63 1saw s GLU 161 N -3.88 3.21 0.14 2.90 8.01 -1.26 -1.13 118.70 126.69 1saw s GLU 161 Ca 0.08 -0.75 0.17 0.00 0.01 0.00 0.00 54.97 54.48 1saw s GLU 161 Cb 0.04 -2.50 0.75 0.00 -4.31 0.00 0.00 34.13 28.11 1saw s GLU 161 CO -0.09 0.23 1.53 0.25 0.01 0.00 0.00 175.26 177.20 1saw n THR 162 N 3.43 1.05 0.23 3.63 -2.24 -0.93 -2.14 114.28 117.31 1saw n THR 162 Ca -0.18 0.32 0.09 0.00 -2.27 0.00 0.00 64.05 62.01 1saw n THR 162 Cb 0.53 -1.20 0.57 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.00 -0.28 3.42 4.64 -1.70 -2.89 113.55 116.74 1saw h SER 163 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1saw h SER 163 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1saw h SER 163 CO 0.00 0.21 0.00 -1.54 -0.87 0.00 0.00 176.83 174.63 1saw n SER 164 N -3.73 2.02 -4.77 4.97 3.41 -0.91 -4.92 113.62 109.69 1saw n SER 164 Ca -0.01 -2.12 -0.40 0.00 -0.26 0.00 0.00 58.87 56.08 1saw n SER 164 Cb 0.32 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.63 4.20 -0.07 4.33 -1.94 -1.09 -4.49 119.30 118.60 1saw s MET 165 Ca 0.21 2.09 -0.26 0.00 -1.71 0.00 0.00 55.69 56.03 1saw s MET 165 Cb 0.13 -2.90 -0.21 0.00 2.01 0.00 0.00 34.83 33.85 1saw s MET 165 CO 0.11 -0.28 0.98 0.82 -0.01 0.00 0.00 175.02 176.65 1saw h ILE 166 N 2.72 1.42 -3.18 2.53 2.04 -1.64 -3.43 117.51 117.97 1saw h ILE 166 Ca -0.49 -1.59 -0.63 0.00 1.00 0.00 0.00 64.86 63.15 1saw h ILE 166 Cb 1.23 2.45 -0.13 0.00 -0.74 0.00 0.00 36.82 39.63 1saw h ILE 166 CO 0.64 0.39 -0.53 -0.36 0.00 0.00 0.00 178.15 178.29 1saw s PHE 167 N -3.28 3.35 0.51 1.37 0.40 -1.26 -5.09 117.98 113.97 1saw s PHE 167 Ca -0.16 0.23 -0.18 0.00 -0.60 0.00 0.00 56.93 56.22 1saw s PHE 167 Cb -0.00 -2.05 -0.08 0.00 0.51 0.00 0.00 43.02 41.40 1saw s PHE 167 CO 0.63 0.32 1.00 -1.54 0.70 0.00 0.00 175.22 176.32 1saw s SER 168 N 0.03 6.50 0.23 1.36 1.04 -1.26 -4.86 113.70 116.73 1saw s SER 168 Ca 0.07 1.68 -0.07 0.00 0.48 0.00 0.00 55.95 58.11 1saw s SER 168 Cb -0.12 -2.52 0.33 0.00 0.10 0.00 0.00 66.02 63.81 1saw s SER 168 CO 0.00 -0.67 1.79 0.40 0.98 0.00 0.00 173.24 175.74 1saw h ILE 169 N 1.09 0.89 -0.63 -1.02 2.04 -1.98 0.38 117.51 118.28 1saw h ILE 169 Ca -0.48 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.21 1saw h ILE 169 Cb 1.19 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1saw h ILE 169 CO 0.60 0.12 0.35 -0.65 0.00 0.00 0.00 178.15 178.57 1saw h PRO 170 N 0.67 0.64 -0.37 2.37 0.11 -1.93 -1.21 132.00 132.27 1saw h PRO 170 Ca 0.35 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.34 1saw h PRO 170 Cb 0.33 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1saw h PRO 170 CO -0.25 0.42 -0.12 -0.92 -0.21 0.00 0.00 178.00 176.93 1saw h TYR 171 N 0.66 0.72 -0.17 0.65 3.20 -1.61 -1.80 116.97 118.61 1saw h TYR 171 Ca 0.27 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1saw h TYR 171 Cb 0.14 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1saw h TYR 171 CO -0.08 0.75 -0.01 0.82 -1.64 0.00 0.00 178.16 178.00 1saw h ILE 172 N 0.60 1.26 -0.25 1.81 2.04 -0.43 0.70 117.51 123.23 1saw h ILE 172 Ca 0.11 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.14 1saw h ILE 172 Cb 0.55 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1saw h ILE 172 CO 0.03 0.26 0.01 0.40 0.00 0.00 0.00 178.15 178.86 1saw h ILE 173 N 0.05 0.83 0.33 -0.67 2.04 -1.22 -0.95 117.51 117.93 1saw h ILE 173 Ca 0.05 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1saw h ILE 173 Cb 0.39 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1saw h ILE 173 CO 0.01 0.02 -0.17 -1.28 0.00 0.00 0.00 178.15 176.73 1saw h SER 174 N 0.09 -0.40 -0.07 1.72 0.87 -1.12 -1.28 113.55 113.37 1saw h SER 174 Ca 0.12 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1saw h SER 174 Cb 0.15 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.16 1saw h SER 174 CO -0.19 -0.28 -0.30 0.22 -0.53 0.00 0.00 176.83 175.75 1saw h TYR 175 N -0.45 -0.84 -0.01 2.24 3.20 -0.73 -1.83 116.97 118.55 1saw h TYR 175 Ca -0.04 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 1saw h TYR 175 Cb 0.35 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 1saw h TYR 175 CO -0.06 -0.39 -0.63 -0.39 -1.64 0.00 0.00 178.16 175.05 1saw h VAL 176 N -0.41 1.45 0.00 1.81 -1.51 -1.14 -2.72 116.25 113.73 1saw h VAL 176 Ca 0.08 -2.14 -0.04 0.00 -1.23 0.00 0.00 66.70 63.37 1saw h VAL 176 Cb 0.53 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.84 1saw h VAL 176 CO -0.31 0.61 -0.17 0.77 -1.23 0.00 0.00 177.57 177.25 1saw h SER 177 N 0.02 0.00 1.32 4.19 4.64 -0.98 0.98 113.55 123.72 1saw h SER 177 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1saw h SER 177 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1saw h SER 177 CO 0.08 0.17 0.00 0.11 -0.87 0.00 0.00 176.83 176.32 1saw h LYS 178 N 0.00 0.00 0.00 4.77 1.57 -1.01 -0.95 116.57 120.95 1saw h LYS 178 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1saw h LYS 178 Cb 0.37 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1saw h LYS 178 CO 0.02 0.00 -2.06 -0.89 -0.57 0.00 0.00 179.45 175.95 1saw n ILE 179 N -2.38 1.06 -3.81 1.86 5.41 -0.51 -4.91 119.36 116.07 1saw n ILE 179 Ca 0.04 -0.34 -0.26 0.00 1.00 0.00 0.00 62.75 63.20 1saw n ILE 179 Cb 0.38 -1.44 -0.17 0.00 -0.71 0.00 0.00 39.64 37.70 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 -2.36 0.68 0.30 1.39 1.01 0.33 -5.12 121.20 117.44 1saw s ILE 180 Ca -0.26 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 1saw s ILE 180 Cb 0.08 -0.89 -0.11 0.00 0.01 0.00 0.00 42.46 41.56 1saw s ILE 180 CO 0.38 0.16 1.51 -0.89 0.00 0.00 0.00 174.94 176.11 1saw s THR 181 N 1.83 2.25 -0.16 2.92 2.01 -1.26 -3.59 115.64 119.63 1saw s THR 181 Ca 0.03 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 1saw s THR 181 Cb -0.14 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1saw s THR 181 CO -0.07 0.04 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.13 1saw s LEU 182 N -0.94 3.37 0.50 4.42 1.43 -0.73 -4.99 118.68 121.74 1saw s LEU 182 Ca 0.59 -0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 53.52 1saw s LEU 182 Cb -0.46 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1saw s LEU 182 CO 0.51 0.16 0.85 -1.61 0.23 0.00 0.00 176.35 176.49 1saw s GLU 183 N 0.40 3.60 0.23 1.70 0.41 -1.26 -0.43 118.70 123.36 1saw s GLU 183 Ca -0.02 0.39 -0.32 0.00 -0.41 0.00 0.00 54.97 54.61 1saw s GLU 183 Cb -0.14 -2.30 -0.13 0.00 -1.78 0.00 0.00 34.13 29.78 1saw s GLU 183 CO 0.02 -0.27 1.46 -1.91 -0.49 0.00 0.00 175.26 174.07 1saw n GLU 184 N -2.21 2.13 -0.00 1.61 2.13 -1.26 -1.48 120.64 121.56 1saw n GLU 184 Ca 0.02 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1saw n GLU 184 Cb 0.55 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.81 1saw n GLU 184 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1saw n GLY 185 N 2.37 1.37 3.78 8.31 0.00 0.23 -4.83 105.19 116.43 1saw n GLY 185 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.92 5.90 0.11 1.61 1.01 -0.55 -4.52 116.67 117.31 1saw s ASP 186 Ca 0.00 2.08 0.08 0.00 0.71 0.00 0.00 52.55 55.42 1saw s ASP 186 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1saw s ASP 186 CO 0.00 -1.09 -0.21 -0.51 0.21 0.00 0.00 175.17 173.57 1saw s ILE 187 N -1.89 1.72 -0.18 0.77 2.07 -1.07 -0.71 121.20 121.91 1saw s ILE 187 Ca 0.70 -1.59 0.01 0.00 -1.41 0.00 0.00 60.65 58.37 1saw s ILE 187 Cb -0.21 -1.59 0.03 0.00 0.13 0.00 0.00 42.46 40.83 1saw s ILE 187 CO 0.26 -0.09 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.43 1saw s ILE 188 N -1.27 1.72 -0.08 2.00 1.01 -0.54 -1.37 121.20 122.66 1saw s ILE 188 Ca 0.07 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 1saw s ILE 188 Cb -0.09 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 1saw s ILE 188 CO 0.04 0.31 0.91 -0.76 0.00 0.00 0.00 174.94 175.45 1saw s LEU 189 N 1.39 4.28 -0.31 2.97 1.43 0.66 -1.13 118.68 127.97 1saw s LEU 189 Ca 0.01 1.44 0.11 0.00 -1.03 0.00 0.00 54.13 54.66 1saw s LEU 189 Cb -0.15 -3.42 0.77 0.00 0.03 0.00 0.00 46.19 43.43 1saw s LEU 189 CO -0.10 -0.33 1.81 0.35 0.23 0.00 0.00 176.35 178.31 1saw n THR 190 N 4.29 2.93 0.00 5.49 -2.24 -0.61 -1.07 114.28 123.07 1saw n THR 190 Ca 0.05 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 1saw n THR 190 Cb 0.50 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.01 0.82 3.45 3.38 0.00 -1.26 -4.68 105.19 106.90 1saw n GLY 191 Ca 0.39 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.40 2.84 0.40 2.61 -1.32 -1.26 -4.30 115.64 112.21 1saw s THR 192 Ca 0.00 -1.02 -0.07 0.00 -1.21 0.00 0.00 61.69 59.39 1saw s THR 192 Cb 0.00 -2.15 0.10 0.00 -1.51 0.00 0.00 72.50 68.93 1saw s THR 192 CO 0.00 0.44 0.45 -0.81 -2.21 0.00 0.00 174.62 172.49 1saw n PRO 193 N 1.87 -1.06 -1.29 7.08 -0.04 -1.26 -4.25 135.00 136.05 1saw n PRO 193 Ca -0.16 -0.71 -0.30 0.00 -0.04 0.00 0.00 63.50 62.29 1saw n PRO 193 Cb 0.52 -0.55 0.12 0.00 -0.04 0.00 0.00 33.50 33.56 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 -4.00 1.56 0.00 0.54 0.00 -1.26 -4.44 119.74 112.14 1saw s LYS 194 Ca 0.27 0.82 0.00 0.00 0.00 0.00 0.00 55.97 57.06 1saw s LYS 194 Cb -0.02 -1.84 0.00 0.00 0.00 0.00 0.00 37.83 35.97 1saw s LYS 194 CO 0.20 -2.03 0.00 0.41 0.00 0.00 0.00 175.35 173.92 1saw n GLY 195 N -1.35 0.92 3.76 0.59 0.00 -1.26 -4.02 105.19 103.83 1saw n GLY 195 Ca 0.07 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1saw n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1saw s VAL 196 N -2.00 2.49 0.21 1.61 1.01 -1.26 -4.30 120.40 118.16 1saw s VAL 196 Ca 0.00 0.46 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 1saw s VAL 196 Cb 0.00 -3.29 0.07 0.00 0.00 0.00 0.00 36.38 33.16 1saw s VAL 196 CO 0.00 0.10 1.01 -0.83 0.00 0.00 0.00 175.10 175.38 1saw s GLY 197 N -0.12 0.13 0.72 4.51 0.00 -1.25 -5.00 107.32 106.30 1saw s GLY 197 Ca 0.53 -0.37 -0.11 0.00 0.00 0.00 0.00 44.72 44.78 1saw s GLY 197 CO 0.53 2.05 1.07 2.56 0.00 0.00 0.00 173.10 179.31 1saw s PRO 198 N -2.22 2.77 -0.01 2.90 0.04 -1.26 -1.78 135.00 135.44 1saw s PRO 198 Ca 0.21 0.80 -0.07 0.00 0.04 0.00 0.00 61.00 61.98 1saw s PRO 198 Cb -0.03 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1saw s PRO 198 CO 0.06 -1.18 0.14 0.14 0.04 0.00 0.00 177.00 176.20 1saw s VAL 199 N -3.12 0.07 0.45 -0.36 -7.23 -0.36 -4.83 120.40 105.02 1saw s VAL 199 Ca 0.58 -0.57 0.05 0.00 -1.81 0.00 0.00 61.98 60.23 1saw s VAL 199 Cb -0.14 -0.39 -0.05 0.00 0.56 0.00 0.00 36.38 36.36 1saw s VAL 199 CO 0.54 -0.31 0.01 -1.59 -0.31 0.00 0.00 175.10 173.44 1saw s LYS 200 N -1.12 2.05 0.28 4.82 -2.85 -1.26 -4.37 119.74 117.29 1saw s LYS 200 Ca -0.12 -2.23 -0.29 0.00 -1.00 0.00 0.00 55.97 52.33 1saw s LYS 200 Cb -0.06 -1.59 -0.14 0.00 -2.06 0.00 0.00 37.83 33.98 1saw s LYS 200 CO 0.01 -0.18 1.18 -1.91 0.10 0.00 0.00 175.35 174.56 1saw n GLU 201 N -1.09 1.67 -0.72 1.78 2.13 -1.26 -1.91 120.64 121.24 1saw n GLU 201 Ca -0.11 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1saw n GLU 201 Cb 0.67 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.30 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 1.38 0.00 -4.76 4.31 3.02 -0.69 -5.00 115.26 113.52 1saw n ASN 202 Ca 0.09 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.29 1saw n ASN 202 Cb 0.32 -0.42 0.02 0.00 -0.61 0.00 0.00 39.78 39.09 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 -2.98 5.47 -0.16 6.41 1.11 -0.80 -4.76 116.67 120.96 1saw s ASP 203 Ca 0.00 2.30 0.00 0.00 0.18 0.00 0.00 52.55 55.04 1saw s ASP 203 Cb 0.00 -2.59 -0.00 0.00 1.07 0.00 0.00 42.92 41.40 1saw s ASP 203 CO 0.00 -1.39 -0.15 -0.70 1.18 0.00 0.00 175.17 174.11 1saw s GLU 204 N -3.26 3.22 -0.23 8.23 2.12 -1.26 -0.61 118.70 126.91 1saw s GLU 204 Ca 0.75 -0.74 -0.07 0.00 0.36 0.00 0.00 54.97 55.26 1saw s GLU 204 Cb -0.28 -2.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.44 1saw s GLU 204 CO 0.31 -0.00 0.06 0.42 -0.54 0.00 0.00 175.26 175.51 1saw s ILE 205 N 0.86 4.40 -0.12 -3.70 1.01 0.53 -1.10 121.20 123.08 1saw s ILE 205 Ca -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 1saw s ILE 205 Cb -0.15 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1saw s ILE 205 CO -0.01 0.38 -0.07 -0.70 0.00 0.00 0.00 174.94 174.54 1saw s GLU 206 N 1.23 3.26 0.13 2.79 2.12 -0.67 -0.90 118.70 126.66 1saw s GLU 206 Ca 0.05 -0.57 -0.09 0.00 0.36 0.00 0.00 54.97 54.72 1saw s GLU 206 Cb -0.14 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 1saw s GLU 206 CO 0.03 0.40 0.24 0.00 -0.54 0.00 0.00 175.26 175.39 1saw s ALA 207 N -0.09 -0.08 0.07 6.30 0.00 -0.63 0.48 121.76 127.81 1saw s ALA 207 Ca 0.01 -0.78 -0.28 0.00 0.00 0.00 0.00 51.96 50.91 1saw s ALA 207 Cb -0.13 0.70 0.09 0.00 0.00 0.00 0.00 23.12 23.78 1saw s ALA 207 CO 0.03 -0.58 1.13 0.20 0.00 0.00 0.00 175.76 176.54 1saw s GLY 208 N -2.92 -0.32 -0.24 0.00 0.00 -0.74 -0.81 107.32 102.29 1saw s GLY 208 Ca 0.12 0.41 -0.06 0.00 0.00 0.00 0.00 44.72 45.20 1saw s GLY 208 CO -0.05 0.09 0.01 -0.42 0.00 0.00 0.00 173.10 172.74 1saw s ILE 209 N -2.83 3.81 0.08 0.90 1.01 0.10 -1.99 121.20 122.28 1saw s ILE 209 Ca 0.13 -0.38 -0.36 0.00 0.00 0.00 0.00 60.65 60.05 1saw s ILE 209 Cb 0.02 -2.78 -0.15 0.00 0.01 0.00 0.00 42.46 39.56 1saw s ILE 209 CO -0.01 0.36 1.51 1.41 0.00 0.00 0.00 174.94 178.21 1saw n HIS 210 N 4.86 1.94 -0.81 3.97 8.25 -0.69 -2.05 115.22 130.68 1saw n HIS 210 Ca -0.17 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1saw n HIS 210 Cb 0.51 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 29.16 1saw n HIS 210 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1saw n GLY 211 N 3.16 0.75 2.00 -1.41 0.00 -1.26 -4.78 105.19 103.66 1saw n GLY 211 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.14 -3.66 0.99 4.77 -0.87 -5.16 117.00 112.94 1saw n LEU 212 Ca 0.00 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 1saw n LEU 212 Cb 0.00 0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1saw n LEU 212 CO 0.00 -0.66 0.17 0.54 -1.33 0.00 0.00 177.39 176.12 1saw s VAL 213 N -2.00 0.05 0.09 4.08 0.11 -0.95 -5.00 120.40 116.78 1saw s VAL 213 Ca 0.00 -0.38 -0.06 0.00 -2.93 0.00 0.00 61.98 58.62 1saw s VAL 213 Cb 0.00 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1saw s VAL 213 CO 0.00 -0.21 0.12 -0.94 -3.33 0.00 0.00 175.10 170.74 1saw s SER 214 N -1.72 0.24 -0.13 3.54 1.04 -1.26 -0.72 113.70 114.68 1saw s SER 214 Ca -0.08 -0.85 -0.29 0.00 0.48 0.00 0.00 55.95 55.21 1saw s SER 214 Cb -0.02 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.48 1saw s SER 214 CO 0.01 -0.71 0.70 0.00 0.98 0.00 0.00 173.24 174.22 1saw s MET 215 N -3.92 0.97 -0.00 4.02 0.23 0.01 -4.81 119.30 115.81 1saw s MET 215 Ca 0.09 0.53 0.07 0.00 -1.03 0.00 0.00 55.69 55.36 1saw s MET 215 Cb 0.06 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.80 1saw s MET 215 CO -0.08 -0.24 -0.23 0.99 -2.03 0.00 0.00 175.02 173.43 1saw s THR 216 N -0.61 1.80 0.01 3.16 2.01 -1.26 -1.61 115.64 119.13 1saw s THR 216 Ca -0.07 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 60.85 1saw s THR 216 Cb -0.02 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1saw s THR 216 CO 0.07 0.44 0.06 -0.36 -0.69 0.00 0.00 174.62 174.14 1saw s PHE 217 N -0.60 0.12 -0.14 4.92 0.40 -0.08 -4.50 117.98 118.10 1saw s PHE 217 Ca 0.09 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1saw s PHE 217 Cb -0.09 -0.10 0.01 0.00 0.51 0.00 0.00 43.02 43.35 1saw s PHE 217 CO -0.00 -0.23 -0.22 0.21 0.70 0.00 0.00 175.22 175.68 1saw s LYS 218 N -1.32 3.00 0.25 0.44 2.20 -1.26 -0.34 119.74 122.70 1saw s LYS 218 Ca -0.14 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.32 1saw s LYS 218 Cb -0.08 -2.44 -0.10 0.00 -1.51 0.00 0.00 37.83 33.70 1saw s LYS 218 CO 0.00 -0.04 1.39 0.08 -0.36 0.00 0.00 175.35 176.42 1saw s VAL 219 N 0.89 2.78 0.03 4.02 1.01 0.22 -1.90 120.40 127.45 1saw s VAL 219 Ca -0.05 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 1saw s VAL 219 Cb -0.15 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1saw s VAL 219 CO -0.04 0.12 0.38 -1.61 0.00 0.00 0.00 175.10 173.95 1saw s GLU 220 N -0.57 0.87 0.29 2.72 2.02 -0.27 -1.70 118.70 122.05 1saw s GLU 220 Ca 0.57 -0.35 -0.09 0.00 0.02 0.00 0.00 54.97 55.11 1saw s GLU 220 Cb -0.40 0.38 -0.07 0.00 0.10 0.00 0.00 34.13 34.14 1saw s GLU 220 CO 0.44 -0.29 0.61 -1.59 0.02 0.00 0.00 175.26 174.45 1saw s LYS 221 N -2.31 3.77 0.70 1.61 0.00 -1.26 -1.48 119.74 120.77 1saw s LYS 221 Ca -0.06 0.28 -0.16 0.00 0.00 0.00 0.00 55.97 56.03 1saw s LYS 221 Cb -0.01 -2.58 0.02 0.00 0.00 0.00 0.00 37.83 35.26 1saw s LYS 221 CO -0.01 0.21 1.19 -2.14 0.00 0.00 0.00 175.35 174.60 1saw s PRO 222 N -3.21 2.38 -1.03 1.78 0.02 -1.26 -4.92 135.00 128.76 1saw s PRO 222 Ca 0.48 1.72 -0.10 0.00 0.02 0.00 0.00 61.00 63.12 1saw s PRO 222 Cb -0.11 -1.87 0.26 0.00 0.02 0.00 0.00 34.50 32.81 1saw s PRO 222 CO 0.25 -1.64 1.00 -1.21 -0.33 0.00 0.00 177.00 175.07 1saw s GLU 223 N -3.84 4.00 0.00 5.54 2.02 -1.26 -5.14 118.70 120.02 1saw s GLU 223 Ca 0.74 -3.01 0.24 0.00 0.02 0.00 0.00 54.97 52.95 1saw s GLU 223 Cb -0.28 -4.50 0.19 0.00 0.10 0.00 0.00 34.13 29.64 1saw s GLU 223 CO 0.43 -1.25 1.26 0.66 0.02 0.00 0.00 175.26 176.37