#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwd s ALA 18 N 0.00 0.77 0.18 -1.18 0.00 -1.26 -4.91 121.76 115.35 3kwd s ALA 18 Ca 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.27 3kwd s ALA 18 Cb 0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 3kwd s ALA 18 CO 0.00 -3.17 0.42 -1.21 0.00 0.00 0.00 175.76 171.80 3kwd s GLU 19 N -4.57 3.62 0.58 0.00 2.02 -1.26 -3.57 118.70 115.52 3kwd s GLU 19 Ca 0.67 -0.09 -0.20 0.00 0.02 0.00 0.00 54.97 55.38 3kwd s GLU 19 Cb -0.24 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 3kwd s GLU 19 CO 0.60 0.41 1.32 -2.14 0.02 0.00 0.00 175.26 175.47 3kwd s PRO 20 N -2.91 2.92 -0.40 0.39 0.02 -0.49 -4.44 135.00 130.09 3kwd s PRO 20 Ca 0.42 2.14 -0.10 0.00 0.02 0.00 0.00 61.00 63.48 3kwd s PRO 20 Cb -0.12 -2.09 0.06 0.00 0.02 0.00 0.00 34.50 32.37 3kwd s PRO 20 CO 0.26 -1.33 0.24 -2.00 -0.33 0.00 0.00 177.00 173.84 3kwd s GLU 21 N -3.10 2.71 -0.29 5.54 2.56 -0.24 -4.93 118.70 120.94 3kwd s GLU 21 Ca 0.76 -1.31 -0.05 0.00 0.00 0.00 0.00 54.97 54.37 3kwd s GLU 21 Cb -0.39 -3.78 0.02 0.00 2.00 0.00 0.00 34.13 31.99 3kwd s GLU 21 CO 0.44 -0.86 0.05 0.42 -0.56 0.00 0.00 175.26 174.75 3kwd s ILE 22 N 1.49 3.60 0.54 -3.70 1.01 -1.26 -0.44 121.20 122.44 3kwd s ILE 22 Ca 0.02 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.54 3kwd s ILE 22 Cb -0.22 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 3kwd s ILE 22 CO 0.04 0.04 1.28 0.00 0.00 0.00 0.00 174.94 176.30 3kwd n ALA 23 N 4.79 1.29 -0.24 9.38 0.00 -0.47 -4.87 120.51 130.38 3kwd n ALA 23 Ca -0.14 0.12 0.22 0.00 0.00 0.00 0.00 53.44 53.63 3kwd n ALA 23 Cb 0.47 -2.30 0.56 0.00 0.00 0.00 0.00 19.45 18.17 3kwd n ALA 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kwd h PRO 24 N 1.30 0.30 -0.04 0.00 0.11 -1.92 -1.23 132.00 130.52 3kwd h PRO 24 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kwd h PRO 24 Cb 1.32 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kwd h PRO 24 CO 0.56 0.20 0.00 0.25 -0.21 0.00 0.00 178.00 178.80 3kwd n THR 25 N -4.47 0.02 -2.43 -1.15 -2.24 -1.26 -4.92 114.28 97.84 3kwd n THR 25 Ca 0.20 -0.40 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 3kwd n THR 25 Cb 0.79 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 70.04 3kwd n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kwd s ALA 26 N -1.98 2.94 -0.19 6.98 0.00 -0.47 -3.37 121.76 125.67 3kwd s ALA 26 Ca 0.33 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 3kwd s ALA 26 Cb 0.20 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 3kwd s ALA 26 CO 0.31 -0.44 -0.08 -0.47 0.00 0.00 0.00 175.76 175.08 3kwd s TYR 27 N -1.73 2.91 -0.20 0.00 5.04 0.48 -4.92 117.35 118.92 3kwd s TYR 27 Ca 0.64 -0.91 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 3kwd s TYR 27 Cb -0.22 -2.02 0.05 0.00 0.35 0.00 0.00 41.96 40.12 3kwd s TYR 27 CO 0.27 -0.47 -0.07 0.08 -1.34 0.00 0.00 175.55 174.02 3kwd s VAL 28 N 1.14 1.44 0.45 3.14 1.01 -1.26 -0.78 120.40 125.54 3kwd s VAL 28 Ca 0.01 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 3kwd s VAL 28 Cb -0.14 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 34.53 3kwd s VAL 28 CO -0.02 0.04 1.44 -2.28 0.00 0.00 0.00 175.10 174.28 3kwd s HIS 29 N 1.46 2.43 0.62 5.22 2.46 -0.48 -4.87 115.29 122.13 3kwd s HIS 29 Ca -0.03 1.25 0.35 0.00 0.47 0.00 0.00 55.06 57.10 3kwd s HIS 29 Cb -0.17 -3.94 2.04 0.00 -0.13 0.00 0.00 32.58 30.37 3kwd s HIS 29 CO -0.07 -3.01 2.29 0.66 -2.47 0.00 0.00 174.74 172.14 3kwd h SER 30 N 2.30 0.00 1.56 9.88 4.64 -1.94 -1.48 113.55 128.52 3kwd h SER 30 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3kwd h SER 30 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kwd h SER 30 CO 0.61 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 176.31 3kwd h PHE 31 N 0.00 0.00 -2.87 4.77 0.04 -1.91 -3.45 116.94 113.51 3kwd h PHE 31 Ca 0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 3kwd h PHE 31 Cb 0.03 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.24 3kwd h PHE 31 CO 0.00 0.00 0.96 0.45 -0.60 0.00 0.00 178.31 179.12 3kwd s SER 32 N -5.25 6.42 -0.88 2.17 0.15 -0.56 -4.48 113.70 111.27 3kwd s SER 32 Ca 0.08 2.84 -0.19 0.00 0.70 0.00 0.00 55.95 59.38 3kwd s SER 32 Cb 0.09 -2.61 0.12 0.00 -1.71 0.00 0.00 66.02 61.91 3kwd s SER 32 CO 0.60 -0.93 1.09 0.21 1.20 0.00 0.00 173.24 175.41 3kwd s ASN 33 N 0.98 6.54 -0.22 5.45 2.47 -0.41 -4.99 114.94 124.78 3kwd s ASN 33 Ca 0.71 -1.86 -0.03 0.00 0.42 0.00 0.00 52.86 52.10 3kwd s ASN 33 Cb -0.48 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 36.92 3kwd s ASN 33 CO 0.36 -1.12 -0.07 -0.22 -3.72 0.00 0.00 177.10 172.33 3kwd s LEU 34 N 2.90 2.82 -0.00 3.21 2.96 -1.26 -0.50 118.68 128.81 3kwd s LEU 34 Ca 0.30 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 3kwd s LEU 34 Cb -0.07 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 3kwd s LEU 34 CO -0.06 -0.03 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.27 3kwd s ILE 35 N 1.43 0.25 0.00 6.68 -1.09 -0.76 -4.96 121.20 122.74 3kwd s ILE 35 Ca 0.05 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 3kwd s ILE 35 Cb -0.14 -0.22 0.00 0.00 -1.58 0.00 0.00 42.46 40.51 3kwd s ILE 35 CO -0.05 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.31 3kwd n GLY 36 N 2.92 -1.77 3.28 6.18 0.00 -1.23 -0.74 105.19 113.81 3kwd n GLY 36 Ca -0.13 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 3kwd n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kwd n ASP 37 N 0.35 4.66 -4.32 1.61 4.64 -1.24 -1.40 116.55 120.85 3kwd n ASP 37 Ca 0.00 -2.91 -0.36 0.00 -1.38 0.00 0.00 54.79 50.14 3kwd n ASP 37 Cb 0.00 -1.69 -0.14 0.00 -1.04 0.00 0.00 41.12 38.25 3kwd n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3kwd s VAL 38 N 3.44 3.54 -0.41 5.18 1.01 -1.26 -1.10 120.40 130.80 3kwd s VAL 38 Ca 0.50 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 3kwd s VAL 38 Cb 0.07 -2.68 0.07 0.00 0.00 0.00 0.00 36.38 33.83 3kwd s VAL 38 CO 0.02 0.32 0.25 -0.13 0.00 0.00 0.00 175.10 175.55 3kwd s ARG 39 N 1.48 2.65 -0.20 2.72 0.52 0.06 -1.08 118.95 125.10 3kwd s ARG 39 Ca 0.05 -1.38 -0.04 0.00 -0.52 0.00 0.00 55.73 53.83 3kwd s ARG 39 Cb -0.15 -3.76 -0.01 0.00 0.52 0.00 0.00 34.95 31.54 3kwd s ARG 39 CO -0.01 -0.90 -0.04 0.42 0.02 0.00 0.00 175.30 174.78 3kwd s ILE 40 N 1.45 3.52 0.02 1.52 1.01 0.42 -0.90 121.20 128.23 3kwd s ILE 40 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3kwd s ILE 40 Cb -0.22 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3kwd s ILE 40 CO 0.03 0.44 0.03 0.29 0.00 0.00 0.00 174.94 175.73 3kwd n LYS 41 N 4.48 0.65 -2.07 2.79 4.76 -0.30 -1.37 118.16 127.09 3kwd n LYS 41 Ca -0.18 -0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 54.76 3kwd n LYS 41 Cb 0.51 -0.02 -0.02 0.00 -1.84 0.00 0.00 35.03 33.66 3kwd n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kwd s ASP 42 N -1.13 6.71 -1.57 4.39 1.01 -1.26 -3.13 116.67 121.68 3kwd s ASP 42 Ca 0.02 2.74 0.00 0.00 0.71 0.00 0.00 52.55 56.02 3kwd s ASP 42 Cb -0.00 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.28 3kwd s ASP 42 CO 0.01 -0.58 0.00 -1.22 0.21 0.00 0.00 175.17 173.59 3kwd n TYR 43 N 0.77 0.00 -1.96 4.23 4.01 -1.22 -0.61 117.16 122.38 3kwd n TYR 43 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 3kwd n TYR 43 Cb 0.41 -2.86 0.02 0.00 -0.31 0.00 0.00 39.34 36.61 3kwd n TYR 43 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3kwd s VAL 44 N -2.38 2.46 -0.22 -0.72 1.01 -1.19 -3.91 120.40 115.46 3kwd s VAL 44 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.34 3kwd s VAL 44 Cb 0.00 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 33.26 3kwd s VAL 44 CO 0.00 -0.00 -0.07 -2.28 0.00 0.00 0.00 175.10 172.74 3kwd s HIS 45 N -1.39 2.41 -0.26 5.22 2.46 -0.38 -0.39 115.29 122.97 3kwd s HIS 45 Ca 0.68 -1.70 -0.05 0.00 0.47 0.00 0.00 55.06 54.47 3kwd s HIS 45 Cb -0.36 -1.60 -0.00 0.00 -0.13 0.00 0.00 32.58 30.49 3kwd s HIS 45 CO 0.43 -0.76 0.02 0.42 -2.47 0.00 0.00 174.74 172.37 3kwd s ILE 46 N 1.39 3.66 0.82 0.89 1.01 0.04 -1.00 121.20 128.02 3kwd s ILE 46 Ca -0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 3kwd s ILE 46 Cb -0.18 -2.78 0.09 0.00 0.01 0.00 0.00 42.46 39.60 3kwd s ILE 46 CO -0.07 0.26 1.10 0.00 0.00 0.00 0.00 174.94 176.23 3kwd s ALA 47 N 1.49 2.07 0.96 9.38 0.00 -0.41 -1.38 121.76 133.86 3kwd s ALA 47 Ca 0.04 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 3kwd s ALA 47 Cb -0.16 -3.12 0.17 0.00 0.00 0.00 0.00 23.12 20.01 3kwd s ALA 47 CO -0.00 -1.89 1.10 -1.25 0.00 0.00 0.00 175.76 173.72 3kwd s PRO 48 N -5.11 0.72 -0.55 0.00 0.04 -1.26 -3.84 135.00 125.00 3kwd s PRO 48 Ca 0.61 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.88 3kwd s PRO 48 Cb -0.15 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3kwd s PRO 48 CO 0.55 -2.73 0.00 0.41 0.04 0.00 0.00 177.00 175.27 3kwd n GLY 49 N -0.01 0.62 3.63 0.56 0.00 -1.26 -3.94 105.19 104.79 3kwd n GLY 49 Ca 0.09 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 3kwd n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kwd s THR 50 N -2.22 3.54 -0.11 2.61 -4.23 -1.25 -0.72 115.64 113.25 3kwd s THR 50 Ca 0.00 -1.45 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 3kwd s THR 50 Cb 0.00 -2.75 0.03 0.00 1.34 0.00 0.00 72.50 71.12 3kwd s THR 50 CO 0.00 -0.07 -0.06 -0.55 -0.54 0.00 0.00 174.62 173.40 3kwd s SER 51 N -2.79 2.15 -0.39 3.99 0.15 -0.75 -1.28 113.70 114.78 3kwd s SER 51 Ca 0.26 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.62 3kwd s SER 51 Cb -0.09 -0.76 0.15 0.00 -1.71 0.00 0.00 66.02 63.60 3kwd s SER 51 CO 0.17 -0.15 0.26 -0.63 1.20 0.00 0.00 173.24 174.09 3kwd s ILE 52 N 1.76 0.43 -0.23 6.45 1.01 0.34 -0.58 121.20 130.38 3kwd s ILE 52 Ca 0.04 -2.14 0.02 0.00 0.00 0.00 0.00 60.65 58.58 3kwd s ILE 52 Cb -0.13 -1.31 0.05 0.00 0.01 0.00 0.00 42.46 41.07 3kwd s ILE 52 CO -0.08 -1.04 -0.13 -0.13 0.00 0.00 0.00 174.94 173.56 3kwd s ARG 53 N 0.64 2.41 -0.61 2.79 0.52 -1.09 -1.83 118.95 121.77 3kwd s ARG 53 Ca 0.22 -1.14 -0.03 0.00 -0.52 0.00 0.00 55.73 54.25 3kwd s ARG 53 Cb -0.16 -2.74 0.15 0.00 0.52 0.00 0.00 34.95 32.72 3kwd s ARG 53 CO -0.05 -0.46 2.54 0.00 0.02 0.00 0.00 175.30 177.35 3kwd n ALA 54 N 4.52 6.49 0.80 2.13 0.00 0.08 -4.48 120.51 130.04 3kwd n ALA 54 Ca -0.16 -3.42 0.11 0.00 0.00 0.00 0.00 53.44 49.97 3kwd n ALA 54 Cb 0.45 -2.14 0.08 0.00 0.00 0.00 0.00 19.45 17.84 3kwd n ALA 54 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kwd n ASP 55 N 0.51 0.65 0.00 0.00 3.85 -1.26 -4.37 116.55 115.93 3kwd n ASP 55 Ca 0.51 -0.37 0.00 0.00 -0.71 0.00 0.00 54.79 54.22 3kwd n ASP 55 Cb 0.45 0.63 0.00 0.00 -1.35 0.00 0.00 41.12 40.84 3kwd n ASP 55 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3kwd n GLU 56 N -1.72 0.00 -1.83 0.11 1.02 -1.26 -5.01 120.64 111.94 3kwd n GLU 56 Ca 0.04 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 3kwd n GLU 56 Cb 0.38 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.80 3kwd n GLU 56 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kwd s GLY 57 N -0.70 2.80 -0.06 0.62 0.00 -0.53 -4.55 107.32 104.90 3kwd s GLY 57 Ca 0.00 1.55 -0.30 0.00 0.00 0.00 0.00 44.72 45.96 3kwd s GLY 57 CO 0.00 2.28 0.76 -1.08 0.00 0.00 0.00 173.10 175.06 3kwd s THR 58 N -0.92 0.00 0.80 0.90 -1.32 -1.26 -4.49 115.64 109.35 3kwd s THR 58 Ca 0.54 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.93 3kwd s THR 58 Cb -0.46 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.64 3kwd s THR 58 CO 0.60 0.00 1.13 -2.16 -2.21 0.00 0.00 174.62 171.98 3kwd s PRO 59 N -1.35 1.64 0.14 7.08 0.04 -1.26 -4.17 135.00 137.12 3kwd s PRO 59 Ca -0.08 -0.34 0.09 0.00 0.04 0.00 0.00 61.00 60.71 3kwd s PRO 59 Cb -0.00 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3kwd s PRO 59 CO 0.06 -1.67 -0.17 -0.06 0.04 0.00 0.00 177.00 175.21 3kwd s PHE 60 N -3.48 2.54 -0.04 0.56 0.08 -0.26 -0.71 117.98 116.67 3kwd s PHE 60 Ca 0.65 -0.26 0.04 0.00 0.12 0.00 0.00 56.93 57.48 3kwd s PHE 60 Cb -0.08 -1.31 0.00 0.00 -0.57 0.00 0.00 43.02 41.06 3kwd s PHE 60 CO 0.48 0.43 -0.15 -1.58 -0.10 0.00 0.00 175.22 174.30 3kwd s HIS 61 N -1.33 1.49 -0.19 0.36 5.65 -0.30 -0.76 115.29 120.20 3kwd s HIS 61 Ca 0.20 -0.43 -0.00 0.00 0.25 0.00 0.00 55.06 55.08 3kwd s HIS 61 Cb -0.10 -1.02 0.05 0.00 -1.18 0.00 0.00 32.58 30.33 3kwd s HIS 61 CO 0.11 -0.16 -0.05 0.42 -0.65 0.00 0.00 174.74 174.41 3kwd s ILE 62 N 0.14 1.26 0.96 0.89 1.01 -0.08 -0.80 121.20 124.59 3kwd s ILE 62 Ca -0.05 -0.85 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 3kwd s ILE 62 Cb -0.11 -1.47 0.17 0.00 0.01 0.00 0.00 42.46 41.05 3kwd s ILE 62 CO 0.02 0.05 1.19 -0.83 0.00 0.00 0.00 174.94 175.37 3kwd s GLY 63 N 1.55 1.63 0.39 6.18 0.00 0.13 -1.15 107.32 116.06 3kwd s GLY 63 Ca -0.01 -0.79 -0.27 0.00 0.00 0.00 0.00 44.72 43.65 3kwd s GLY 63 CO -0.07 -0.14 1.33 -0.56 0.00 0.00 0.00 173.10 173.66 3kwd s SER 64 N -4.32 6.36 0.00 1.64 0.01 -1.26 -2.61 113.70 113.52 3kwd s SER 64 Ca 0.67 2.72 0.00 0.00 1.31 0.00 0.00 55.95 60.66 3kwd s SER 64 Cb -0.10 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.48 3kwd s SER 64 CO 0.53 -0.82 0.00 0.54 0.41 0.00 0.00 173.24 173.90 3kwd n ARG 65 N 0.26 -0.85 -2.52 12.44 1.74 0.22 -0.42 116.66 127.52 3kwd n ARG 65 Ca 0.03 0.21 -0.38 0.00 -0.77 0.00 0.00 57.85 56.94 3kwd n ARG 65 Cb 0.43 -4.03 -0.04 0.00 -1.02 0.00 0.00 32.46 27.79 3kwd n ARG 65 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kwd s THR 66 N -1.64 3.63 -0.16 0.55 2.01 -1.07 -4.45 115.64 114.50 3kwd s THR 66 Ca 0.00 1.44 -0.01 0.00 0.31 0.00 0.00 61.69 63.43 3kwd s THR 66 Cb 0.00 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 3kwd s THR 66 CO 0.00 0.20 -0.11 0.21 -0.69 0.00 0.00 174.62 174.22 3kwd s ASN 67 N -1.23 4.00 -0.28 3.53 3.04 -0.47 -1.24 114.94 122.28 3kwd s ASN 67 Ca 0.51 -0.38 -0.04 0.00 0.04 0.00 0.00 52.86 52.99 3kwd s ASN 67 Cb -0.27 -1.63 0.03 0.00 -1.54 0.00 0.00 41.25 37.84 3kwd s ASN 67 CO 0.34 0.10 0.01 -0.63 -3.04 0.00 0.00 177.10 173.88 3kwd s ILE 68 N 0.75 3.32 0.45 -5.21 -1.09 -0.17 -0.92 121.20 118.34 3kwd s ILE 68 Ca -0.05 -1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 57.36 3kwd s ILE 68 Cb -0.15 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.96 3kwd s ILE 68 CO 0.01 0.06 0.68 -1.10 -1.23 0.00 0.00 174.94 173.37 3kwd s GLN 69 N 1.37 3.15 0.17 2.79 -0.21 -0.32 -1.29 119.66 125.32 3kwd s GLN 69 Ca -0.00 -0.37 -0.33 0.00 0.02 0.00 0.00 55.36 54.67 3kwd s GLN 69 Cb -0.18 -2.53 -0.13 0.00 1.00 0.00 0.00 33.01 31.17 3kwd s GLN 69 CO -0.01 -0.24 1.65 -3.47 -2.12 0.00 0.00 175.29 171.10 3kwd n ASP 70 N -2.10 3.48 0.00 5.90 4.64 -1.25 -2.26 116.55 124.96 3kwd n ASP 70 Ca 0.01 1.07 0.00 0.00 -1.38 0.00 0.00 54.79 54.49 3kwd n ASP 70 Cb 0.57 -1.49 0.00 0.00 -1.04 0.00 0.00 41.12 39.17 3kwd n ASP 70 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kwd n GLY 71 N 3.68 0.19 3.77 0.27 0.00 0.10 -3.33 105.19 109.87 3kwd n GLY 71 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3kwd n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwd s VAL 72 N -2.00 3.38 -0.10 1.61 1.01 -0.96 -3.72 120.40 119.61 3kwd s VAL 72 Ca 0.00 1.14 0.04 0.00 0.00 0.00 0.00 61.98 63.16 3kwd s VAL 72 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3kwd s VAL 72 CO 0.00 0.09 -0.23 -0.69 0.00 0.00 0.00 175.10 174.27 3kwd s VAL 73 N -1.46 2.00 -0.19 2.92 1.01 -0.83 -1.80 120.40 122.04 3kwd s VAL 73 Ca 0.56 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3kwd s VAL 73 Cb -0.28 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.39 3kwd s VAL 73 CO 0.35 0.55 -0.19 -0.63 0.00 0.00 0.00 175.10 175.18 3kwd s ILE 74 N 0.42 2.05 0.26 2.22 1.01 0.25 -1.54 121.20 125.88 3kwd s ILE 74 Ca -0.17 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.45 3kwd s ILE 74 Cb -0.18 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 3kwd s ILE 74 CO 0.07 0.47 0.29 -2.28 0.00 0.00 0.00 174.94 173.49 3kwd s HIS 75 N 1.28 1.14 0.02 3.97 2.46 -0.84 -2.67 115.29 120.63 3kwd s HIS 75 Ca 0.03 -1.31 -0.14 0.00 0.47 0.00 0.00 55.06 54.11 3kwd s HIS 75 Cb -0.14 -0.37 0.02 0.00 -0.13 0.00 0.00 32.58 31.96 3kwd s HIS 75 CO -0.12 -0.85 0.31 0.20 -2.47 0.00 0.00 174.74 171.81 3kwd s GLY 76 N -3.20 -0.13 0.40 1.59 0.00 -1.26 -0.26 107.32 104.46 3kwd s GLY 76 Ca 0.35 0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.97 3kwd s GLY 76 CO 0.17 -0.06 1.16 1.08 0.00 0.00 0.00 173.10 175.44 3kwd s LEU 77 N -1.73 4.18 0.24 0.66 1.43 -0.89 -1.45 118.68 121.11 3kwd s LEU 77 Ca -0.09 2.32 -0.05 0.00 -1.03 0.00 0.00 54.13 55.28 3kwd s LEU 77 Cb -0.03 -4.05 0.40 0.00 0.03 0.00 0.00 46.19 42.54 3kwd s LEU 77 CO 0.00 -0.68 1.76 -0.61 0.23 0.00 0.00 176.35 177.05 3kwd h GLN 78 N 2.58 0.53 -5.78 1.70 4.15 -1.93 -3.04 115.11 113.32 3kwd h GLN 78 Ca -0.49 -0.03 -0.67 0.00 0.77 0.00 0.00 58.65 58.23 3kwd h GLN 78 Cb 1.23 -0.12 -0.11 0.00 0.21 0.00 0.00 27.48 28.69 3kwd h GLN 78 CO 0.62 0.35 -0.55 -0.65 -1.93 0.00 0.00 178.83 176.67 3kwd s GLN 79 N -6.04 3.25 0.00 1.69 -1.52 -1.26 -4.58 119.66 111.20 3kwd s GLN 79 Ca -0.12 -0.27 0.00 0.00 -1.95 0.00 0.00 55.36 53.02 3kwd s GLN 79 Cb 0.19 -3.01 0.00 0.00 -0.22 0.00 0.00 33.01 29.98 3kwd s GLN 79 CO 0.76 0.72 0.00 0.41 -0.25 0.00 0.00 175.29 176.94 3kwd n GLY 80 N 2.12 2.87 3.12 3.09 0.00 -1.26 -4.75 105.19 110.38 3kwd n GLY 80 Ca -0.19 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 3kwd n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kwd s ARG 81 N -4.90 0.70 0.27 1.61 1.81 -1.26 -4.36 118.95 112.82 3kwd s ARG 81 Ca 0.00 -1.22 0.11 0.00 -1.72 0.00 0.00 55.73 52.90 3kwd s ARG 81 Cb 0.00 -0.03 -0.05 0.00 -0.45 0.00 0.00 34.95 34.42 3kwd s ARG 81 CO 0.00 -0.05 -0.09 0.14 -0.68 0.00 0.00 175.30 174.61 3kwd s VAL 82 N -3.49 3.01 -0.17 3.52 -7.23 0.39 -4.92 120.40 111.51 3kwd s VAL 82 Ca 0.07 -2.11 -0.21 0.00 -1.81 0.00 0.00 61.98 57.92 3kwd s VAL 82 Cb 0.05 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 3kwd s VAL 82 CO -0.06 -0.37 0.65 -0.63 -0.31 0.00 0.00 175.10 174.38 3kwd s ILE 83 N -2.36 5.02 0.89 -0.62 -1.09 -1.26 -0.75 121.20 121.02 3kwd s ILE 83 Ca 0.30 1.26 -0.14 0.00 -2.23 0.00 0.00 60.65 59.84 3kwd s ILE 83 Cb -0.06 -3.97 0.15 0.00 -1.58 0.00 0.00 42.46 37.00 3kwd s ILE 83 CO 0.17 0.13 1.26 -0.83 -1.23 0.00 0.00 174.94 174.44 3kwd s GLY 84 N 1.11 1.71 0.42 6.18 0.00 0.17 -4.92 107.32 111.97 3kwd s GLY 84 Ca 0.31 -0.99 0.29 0.00 0.00 0.00 0.00 44.72 44.33 3kwd s GLY 84 CO 0.12 -0.34 1.88 -0.55 0.00 0.00 0.00 173.10 174.20 3kwd h ASP 85 N -1.37 0.00 -0.22 1.64 3.45 -1.98 -1.19 116.42 116.75 3kwd h ASP 85 Ca -0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.01 3kwd h ASP 85 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3kwd h ASP 85 CO 0.49 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.26 3kwd n ASP 86 N -2.65 1.84 0.00 6.45 5.68 -1.26 -4.94 116.55 121.67 3kwd n ASP 86 Ca 0.01 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 3kwd n ASP 86 Cb 0.22 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3kwd n ASP 86 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kwd n GLY 87 N 1.15 1.63 3.88 6.12 0.00 -0.45 -5.02 105.19 112.50 3kwd n GLY 87 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3kwd n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kwd s GLN 88 N -0.03 3.69 0.17 1.61 -1.52 -1.26 -4.74 119.66 117.58 3kwd s GLN 88 Ca 0.00 0.41 -0.30 0.00 -1.95 0.00 0.00 55.36 53.52 3kwd s GLN 88 Cb 0.00 -2.36 -0.07 0.00 -0.22 0.00 0.00 33.01 30.36 3kwd s GLN 88 CO 0.00 -0.14 1.00 -1.21 -0.25 0.00 0.00 175.29 174.69 3kwd s GLU 89 N -4.25 4.71 0.06 2.91 2.02 -1.26 -0.66 118.70 122.23 3kwd s GLU 89 Ca 0.50 1.55 0.05 0.00 0.02 0.00 0.00 54.97 57.09 3kwd s GLU 89 Cb -0.10 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 3kwd s GLU 89 CO 0.37 0.26 -0.14 0.71 0.02 0.00 0.00 175.26 176.48 3kwd s TYR 90 N -0.43 1.20 0.02 1.61 1.51 0.07 -4.43 117.35 116.89 3kwd s TYR 90 Ca 0.46 -0.41 -0.21 0.00 -1.01 0.00 0.00 57.07 55.89 3kwd s TYR 90 Cb -0.26 -0.69 -0.16 0.00 -0.11 0.00 0.00 41.96 40.73 3kwd s TYR 90 CO 0.32 0.04 1.29 1.03 -1.11 0.00 0.00 175.55 177.13 3kwd h SER 91 N 4.58 0.33 -3.35 2.29 0.87 -1.08 0.11 113.55 117.30 3kwd h SER 91 Ca -0.39 -0.53 -0.47 0.00 -1.23 0.00 0.00 61.79 59.17 3kwd h SER 91 Cb 1.19 -0.09 -0.35 0.00 -0.44 0.00 0.00 62.40 62.70 3kwd h SER 91 CO 0.42 0.79 -0.79 -0.69 -0.53 0.00 0.00 176.83 176.03 3kwd s VAL 92 N -4.11 0.77 -0.19 2.23 1.01 -1.19 -1.51 120.40 117.40 3kwd s VAL 92 Ca -0.14 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3kwd s VAL 92 Cb 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.65 3kwd s VAL 92 CO 0.75 0.30 -0.17 0.86 0.00 0.00 0.00 175.10 176.83 3kwd s TRP 93 N 1.21 2.84 -0.15 5.22 -0.11 -0.32 -1.15 118.94 126.48 3kwd s TRP 93 Ca -0.06 -1.57 0.01 0.00 1.22 0.00 0.00 56.10 55.70 3kwd s TRP 93 Cb -0.14 -1.95 0.00 0.00 -1.50 0.00 0.00 33.47 29.88 3kwd s TRP 93 CO -0.02 -0.77 -0.18 0.42 -4.62 0.00 0.00 176.95 171.78 3kwd s ILE 94 N 1.31 2.41 0.00 5.86 1.01 0.02 -0.49 121.20 131.33 3kwd s ILE 94 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3kwd s ILE 94 Cb -0.14 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.34 3kwd s ILE 94 CO -0.11 0.53 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3kwd n GLY 95 N 4.03 -1.36 3.82 6.18 0.00 0.22 -0.69 105.19 117.38 3kwd n GLY 95 Ca -0.19 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 3kwd n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kwd s ASP 96 N -1.17 6.94 -1.65 1.61 -0.00 -1.26 -2.58 116.67 118.56 3kwd s ASP 96 Ca 0.00 1.66 -0.02 0.00 -0.00 0.00 0.00 52.55 54.19 3kwd s ASP 96 Cb 0.00 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.40 3kwd s ASP 96 CO 0.00 -0.33 0.25 0.59 -0.00 0.00 0.00 175.17 175.68 3kwd n ASN 97 N -0.55 -5.91 -4.88 0.27 3.02 0.44 -0.56 115.26 107.09 3kwd n ASN 97 Ca 0.06 -0.13 -0.34 0.00 -0.03 0.00 0.00 54.58 54.14 3kwd n ASN 97 Cb 0.54 -4.84 -0.05 0.00 -0.61 0.00 0.00 39.78 34.82 3kwd n ASN 97 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kwd s VAL 98 N -3.08 5.27 -0.29 2.41 1.01 -1.26 -3.51 120.40 120.94 3kwd s VAL 98 Ca 0.12 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 3kwd s VAL 98 Cb -0.05 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.77 3kwd s VAL 98 CO 0.15 0.34 0.04 -0.55 0.00 0.00 0.00 175.10 175.09 3kwd s SER 99 N -1.74 4.94 -0.57 3.32 0.15 -0.54 -1.37 113.70 117.89 3kwd s SER 99 Ca 0.29 -0.93 -0.12 0.00 0.70 0.00 0.00 55.95 55.89 3kwd s SER 99 Cb -0.13 -1.80 0.14 0.00 -1.71 0.00 0.00 66.02 62.52 3kwd s SER 99 CO 0.17 -0.22 0.48 -0.63 1.20 0.00 0.00 173.24 174.25 3kwd s ILE 100 N 1.40 4.81 0.75 6.45 -1.09 -0.09 -0.88 121.20 132.55 3kwd s ILE 100 Ca -0.00 -1.87 -0.05 0.00 -2.23 0.00 0.00 60.65 56.50 3kwd s ILE 100 Cb -0.18 -4.09 0.12 0.00 -1.58 0.00 0.00 42.46 36.73 3kwd s ILE 100 CO 0.00 -0.86 1.05 0.42 -1.23 0.00 0.00 174.94 174.32 3kwd s THR 101 N 1.16 2.18 0.13 2.92 -4.23 -0.76 -1.17 115.64 115.87 3kwd s THR 101 Ca 0.07 -0.42 -0.34 0.00 -1.18 0.00 0.00 61.69 59.83 3kwd s THR 101 Cb -0.25 -2.76 -0.17 0.00 1.34 0.00 0.00 72.50 70.66 3kwd s THR 101 CO -0.01 0.00 1.09 1.41 -0.54 0.00 0.00 174.62 176.57 3kwd n HIS 102 N -3.00 0.97 -0.85 3.99 8.25 -1.26 -1.70 115.22 121.62 3kwd n HIS 102 Ca 0.13 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 3kwd n HIS 102 Cb 0.60 -2.21 0.00 0.00 1.12 0.00 0.00 29.99 29.50 3kwd n HIS 102 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3kwd n MET 103 N 1.70 -0.00 -1.90 -0.41 2.81 -1.21 -0.84 117.12 117.27 3kwd n MET 103 Ca 0.17 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.69 3kwd n MET 103 Cb 0.21 -3.09 0.05 0.00 -0.71 0.00 0.00 33.22 29.68 3kwd n MET 103 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kwd s ALA 104 N -3.12 2.52 -0.22 3.04 0.00 -0.69 -4.17 121.76 119.12 3kwd s ALA 104 Ca 0.00 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.10 3kwd s ALA 104 Cb 0.00 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.66 3kwd s ALA 104 CO 0.00 -1.34 -0.14 -1.17 0.00 0.00 0.00 175.76 173.11 3kwd s LEU 105 N -4.10 2.85 -0.33 0.00 2.96 -0.38 -1.96 118.68 117.71 3kwd s LEU 105 Ca 0.79 -1.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3kwd s LEU 105 Cb -0.34 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 44.86 3kwd s LEU 105 CO 0.37 -0.10 0.09 -0.63 -1.32 0.00 0.00 176.35 174.75 3kwd s ILE 106 N 1.20 3.66 -0.18 6.68 -1.09 -0.59 -1.30 121.20 129.58 3kwd s ILE 106 Ca -0.02 -1.17 0.01 0.00 -2.23 0.00 0.00 60.65 57.24 3kwd s ILE 106 Cb -0.17 -3.07 0.02 0.00 -1.58 0.00 0.00 42.46 37.66 3kwd s ILE 106 CO -0.08 -0.16 -0.20 -2.28 -1.23 0.00 0.00 174.94 170.99 3kwd s HIS 107 N 1.38 2.77 0.62 3.97 2.46 -0.08 -1.99 115.29 124.41 3kwd s HIS 107 Ca -0.02 -1.65 -0.18 0.00 0.47 0.00 0.00 55.06 53.67 3kwd s HIS 107 Cb -0.20 -1.91 -0.03 0.00 -0.13 0.00 0.00 32.58 30.32 3kwd s HIS 107 CO 0.02 -0.81 1.25 0.20 -2.47 0.00 0.00 174.74 172.93 3kwd s GLY 108 N 1.29 2.79 0.08 1.59 0.00 0.63 -3.23 107.32 110.48 3kwd s GLY 108 Ca 0.05 1.10 -0.31 0.00 0.00 0.00 0.00 44.72 45.56 3kwd s GLY 108 CO -0.13 1.51 1.24 2.56 0.00 0.00 0.00 173.10 178.28 3kwd s PRO 109 N -3.35 4.41 -0.21 2.90 0.04 -1.25 -2.09 135.00 135.44 3kwd s PRO 109 Ca 0.80 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 63.50 3kwd s PRO 109 Cb -0.33 -3.32 0.06 0.00 0.04 0.00 0.00 34.50 30.94 3kwd s PRO 109 CO 0.36 -0.29 0.56 0.00 0.04 0.00 0.00 177.00 177.67 3kwd s ALA 110 N 1.00 -1.39 -0.09 8.56 0.00 -0.57 -0.61 121.76 128.65 3kwd s ALA 110 Ca 0.60 1.63 0.02 0.00 0.00 0.00 0.00 51.96 54.21 3kwd s ALA 110 Cb -0.31 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 21.87 3kwd s ALA 110 CO 0.30 -0.27 -0.15 -0.47 0.00 0.00 0.00 175.76 175.17 3kwd s TYR 111 N 0.46 1.87 -0.21 0.00 6.14 -0.75 -1.17 117.35 123.69 3kwd s TYR 111 Ca -0.01 -0.82 0.02 0.00 0.64 0.00 0.00 57.07 56.90 3kwd s TYR 111 Cb -0.04 -1.34 0.04 0.00 0.42 0.00 0.00 41.96 41.03 3kwd s TYR 111 CO -0.02 -0.41 -0.13 0.42 0.64 0.00 0.00 175.55 176.05 3kwd s ILE 112 N 0.84 1.92 0.92 3.14 -1.09 0.36 -0.32 121.20 126.97 3kwd s ILE 112 Ca -0.10 -1.19 -0.12 0.00 -2.23 0.00 0.00 60.65 57.01 3kwd s ILE 112 Cb -0.15 -1.93 0.14 0.00 -1.58 0.00 0.00 42.46 38.94 3kwd s ILE 112 CO 0.01 0.21 1.13 -0.83 -1.23 0.00 0.00 174.94 174.23 3kwd s GLY 113 N 1.27 1.58 0.35 6.18 0.00 0.22 -0.61 107.32 116.31 3kwd s GLY 113 Ca -0.02 -0.48 -0.28 0.00 0.00 0.00 0.00 44.72 43.94 3kwd s GLY 113 CO -0.09 0.08 1.28 1.22 0.00 0.00 0.00 173.10 175.59 3kwd n ASP 114 N -3.82 2.68 0.00 1.64 10.43 -1.26 -2.91 116.55 123.31 3kwd n ASP 114 Ca 0.06 1.19 0.00 0.00 2.57 0.00 0.00 54.79 58.62 3kwd n ASP 114 Cb 0.59 -1.48 0.00 0.00 1.84 0.00 0.00 41.12 42.07 3kwd n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kwd n GLY 115 N 0.79 0.86 3.77 0.44 0.00 0.27 -0.80 105.19 110.51 3kwd n GLY 115 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3kwd n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwd s PHE 117 N -1.62 3.01 -0.32 0.00 5.36 -0.59 -1.47 117.98 122.35 3kwd s PHE 117 Ca 0.68 -0.51 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 3kwd s PHE 117 Cb -0.28 -2.05 0.08 0.00 -0.34 0.00 0.00 43.02 40.43 3kwd s PHE 117 CO 0.32 -0.24 0.02 0.42 -1.46 0.00 0.00 175.22 174.28 3kwd s ILE 118 N 0.91 2.69 1.05 3.12 -1.09 -0.06 -0.64 121.20 127.18 3kwd s ILE 118 Ca 0.00 -1.79 -0.17 0.00 -2.23 0.00 0.00 60.65 56.46 3kwd s ILE 118 Cb -0.14 -2.71 0.22 0.00 -1.58 0.00 0.00 42.46 38.25 3kwd s ILE 118 CO 0.02 -0.31 1.21 -0.83 -1.23 0.00 0.00 174.94 173.79 3kwd s GLY 119 N 1.25 1.67 0.27 6.18 0.00 0.56 -1.82 107.32 115.43 3kwd s GLY 119 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 44.72 43.41 3kwd s GLY 119 CO -0.04 -0.22 1.58 -1.36 0.00 0.00 0.00 173.10 173.06 3kwd s PHE 120 N -3.46 2.82 -1.23 1.90 2.99 -1.26 -2.38 117.98 117.37 3kwd s PHE 120 Ca 0.71 0.77 0.00 0.00 0.00 0.00 0.00 56.93 58.41 3kwd s PHE 120 Cb -0.08 -4.03 0.00 0.00 0.00 0.00 0.00 43.02 38.91 3kwd s PHE 120 CO 0.54 -3.52 0.00 -2.13 -0.00 0.00 0.00 175.22 170.11 3kwd n ARG 121 N 2.45 -0.95 -3.92 0.44 0.63 -0.02 -0.91 116.66 114.38 3kwd n ARG 121 Ca 0.09 0.79 -0.30 0.00 -0.92 0.00 0.00 57.85 57.50 3kwd n ARG 121 Cb 0.38 -4.91 -0.04 0.00 0.45 0.00 0.00 32.46 28.33 3kwd n ARG 121 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3kwd s SER 122 N -2.65 6.36 -0.05 6.15 0.01 -1.00 -3.99 113.70 118.52 3kwd s SER 122 Ca 0.00 0.27 0.06 0.00 1.31 0.00 0.00 55.95 57.59 3kwd s SER 122 Cb 0.00 -1.96 -0.01 0.00 0.21 0.00 0.00 66.02 64.26 3kwd s SER 122 CO 0.00 0.15 -0.25 -0.89 0.41 0.00 0.00 173.24 172.66 3kwd s THR 123 N -1.54 2.04 -0.16 1.44 2.01 0.06 -1.25 115.64 118.23 3kwd s THR 123 Ca 0.35 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.29 3kwd s THR 123 Cb -0.13 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.69 3kwd s THR 123 CO 0.28 0.57 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.95 3kwd s VAL 124 N -0.21 1.63 -0.05 3.82 1.01 -0.42 -0.74 120.40 125.44 3kwd s VAL 124 Ca -0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 3kwd s VAL 124 Cb -0.13 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.71 3kwd s VAL 124 CO 0.03 0.39 0.11 0.12 0.00 0.00 0.00 175.10 175.75 3kwd s PHE 125 N 1.45 -0.11 -1.27 5.22 5.36 -0.54 -0.90 117.98 127.19 3kwd s PHE 125 Ca 0.03 0.38 -0.05 0.00 -0.96 0.00 0.00 56.93 56.34 3kwd s PHE 125 Cb -0.14 -0.13 -0.01 0.00 -0.34 0.00 0.00 43.02 42.40 3kwd s PHE 125 CO -0.10 -0.15 0.69 -1.71 -1.46 0.00 0.00 175.22 172.49 3kwd n ASN 126 N 4.22 -2.26 -3.53 6.13 5.15 0.22 -2.52 115.26 122.66 3kwd n ASN 126 Ca -0.27 -0.88 -0.12 0.00 -0.60 0.00 0.00 54.58 52.72 3kwd n ASN 126 Cb 0.51 -3.86 -0.04 0.00 -0.53 0.00 0.00 39.78 35.86 3kwd n ASN 126 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kwd s ALA 127 N -3.65 -1.28 -0.11 5.20 0.00 -1.03 -1.29 121.76 119.60 3kwd s ALA 127 Ca 0.13 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.42 3kwd s ALA 127 Cb -0.04 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.81 3kwd s ALA 127 CO 0.83 -0.67 -0.22 0.50 0.00 0.00 0.00 175.76 176.19 3kwd s ARG 128 N -3.55 2.90 -0.23 0.00 3.52 -0.74 -1.80 118.95 119.06 3kwd s ARG 128 Ca 0.01 -0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 54.78 3kwd s ARG 128 Cb 0.00 -2.24 0.02 0.00 -1.56 0.00 0.00 34.95 31.18 3kwd s ARG 128 CO -0.11 0.12 -0.10 0.08 -0.81 0.00 0.00 175.30 174.48 3kwd s VAL 129 N 0.49 2.64 0.85 7.11 1.01 0.56 -0.18 120.40 132.89 3kwd s VAL 129 Ca -0.16 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.70 3kwd s VAL 129 Cb -0.17 -2.29 0.10 0.00 0.00 0.00 0.00 36.38 34.02 3kwd s VAL 129 CO 0.06 0.28 1.11 -0.83 0.00 0.00 0.00 175.10 175.72 3kwd s GLY 130 N 1.31 1.67 0.37 4.51 0.00 -0.08 -0.61 107.32 114.48 3kwd s GLY 130 Ca 0.01 0.32 -0.26 0.00 0.00 0.00 0.00 44.72 44.79 3kwd s GLY 130 CO -0.07 0.73 1.06 0.00 0.00 0.00 0.00 173.10 174.82 3kwd n ALA 131 N -3.86 0.29 -1.03 3.20 0.00 -1.26 -3.01 120.51 114.84 3kwd n ALA 131 Ca 0.10 0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.82 3kwd n ALA 131 Cb 0.53 -2.10 -0.00 0.00 0.00 0.00 0.00 19.45 17.88 3kwd n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwd n GLY 132 N 1.11 0.48 3.79 0.00 0.00 0.02 -1.03 105.19 109.55 3kwd n GLY 132 Ca 0.08 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3kwd n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwd s VAL 134 N -1.91 2.40 -0.26 0.00 1.01 -0.42 -1.54 120.40 119.68 3kwd s VAL 134 Ca 0.69 -2.08 -0.10 0.00 0.00 0.00 0.00 61.98 60.48 3kwd s VAL 134 Cb -0.19 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 3kwd s VAL 134 CO 0.22 -0.43 0.17 -0.69 0.00 0.00 0.00 175.10 174.36 3kwd s VAL 135 N 1.00 5.27 0.00 2.92 1.01 0.19 -1.10 120.40 129.69 3kwd s VAL 135 Ca 0.05 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3kwd s VAL 135 Cb -0.20 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3kwd s VAL 135 CO -0.06 0.31 0.00 0.23 0.00 0.00 0.00 175.10 175.57 3kwd n MET 136 N 4.65 3.29 -3.74 2.72 2.81 -0.30 -0.33 117.12 126.22 3kwd n MET 136 Ca -0.15 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.41 3kwd n MET 136 Cb 0.52 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.98 3kwd n MET 136 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 3kwd s MET 137 N 1.08 3.58 -1.41 0.03 -1.94 -1.26 -2.98 119.30 116.40 3kwd s MET 137 Ca 0.00 -0.12 -0.10 0.00 -1.71 0.00 0.00 55.69 53.76 3kwd s MET 137 Cb 0.00 -2.99 0.02 0.00 2.01 0.00 0.00 34.83 33.87 3kwd s MET 137 CO 0.00 0.58 1.10 0.72 -0.01 0.00 0.00 175.02 177.41 3kwd n HIS 138 N 0.63 -2.71 -3.93 -0.03 8.25 -0.09 -0.91 115.22 116.44 3kwd n HIS 138 Ca -0.07 0.96 -0.35 0.00 -0.26 0.00 0.00 57.72 58.00 3kwd n HIS 138 Cb 0.52 -4.78 -0.06 0.00 1.12 0.00 0.00 29.99 26.79 3kwd n HIS 138 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kwd s VAL 139 N -3.30 5.37 -0.15 1.59 1.01 -1.26 -2.99 120.40 120.66 3kwd s VAL 139 Ca 0.58 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 3kwd s VAL 139 Cb -0.26 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3kwd s VAL 139 CO 0.72 0.45 -0.10 -0.22 0.00 0.00 0.00 175.10 175.95 3kwd s LEU 140 N -1.54 2.85 -0.21 3.92 2.96 -0.54 -0.76 118.68 125.36 3kwd s LEU 140 Ca 0.22 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3kwd s LEU 140 Cb -0.12 -1.67 0.04 0.00 0.50 0.00 0.00 46.19 44.94 3kwd s LEU 140 CO 0.12 0.13 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.52 3kwd s ILE 141 N 0.59 1.86 -0.09 6.68 1.01 0.08 -0.20 121.20 131.12 3kwd s ILE 141 Ca -0.06 -1.12 -0.06 0.00 0.00 0.00 0.00 60.65 59.40 3kwd s ILE 141 Cb -0.15 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.48 3kwd s ILE 141 CO 0.03 0.22 0.22 -1.58 0.00 0.00 0.00 174.94 173.83 3kwd s GLN 142 N 1.31 0.22 -1.10 2.79 0.74 -0.39 -1.47 119.66 121.76 3kwd s GLN 142 Ca -0.01 0.41 -0.01 0.00 0.05 0.00 0.00 55.36 55.80 3kwd s GLN 142 Cb -0.16 -0.01 0.00 0.00 1.10 0.00 0.00 33.01 33.94 3kwd s GLN 142 CO -0.09 -0.10 0.07 -0.25 -0.55 0.00 0.00 175.29 174.37 3kwd n ASP 143 N 3.64 -4.15 -4.05 6.67 10.43 -0.41 -4.11 116.55 124.56 3kwd n ASP 143 Ca -0.20 -0.04 -0.10 0.00 2.57 0.00 0.00 54.79 57.02 3kwd n ASP 143 Cb 0.55 -3.29 -0.08 0.00 1.84 0.00 0.00 41.12 40.15 3kwd n ASP 143 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3kwd s VAL 144 N -2.71 0.07 -0.21 2.53 -7.23 -1.22 -4.63 120.40 107.01 3kwd s VAL 144 Ca 0.03 -1.63 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 3kwd s VAL 144 Cb -0.02 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.96 3kwd s VAL 144 CO 0.04 -0.34 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.79 3kwd s GLU 145 N -4.01 3.24 -0.21 4.82 2.02 -1.26 -1.79 118.70 121.52 3kwd s GLU 145 Ca 0.21 -0.70 -0.16 0.00 0.02 0.00 0.00 54.97 54.34 3kwd s GLU 145 Cb 0.05 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 3kwd s GLU 145 CO 0.02 -0.20 0.43 0.42 0.02 0.00 0.00 175.26 175.95 3kwd s ILE 146 N 1.40 5.17 0.92 -1.63 1.01 0.75 -4.82 121.20 124.01 3kwd s ILE 146 Ca 0.05 0.76 -0.10 0.00 0.00 0.00 0.00 60.65 61.36 3kwd s ILE 146 Cb -0.14 -3.75 0.15 0.00 0.01 0.00 0.00 42.46 38.73 3kwd s ILE 146 CO -0.07 0.22 1.13 -2.84 0.00 0.00 0.00 174.94 173.39 3kwd s PRO 147 N 1.45 0.95 0.55 2.79 0.02 -1.26 -0.90 135.00 138.60 3kwd s PRO 147 Ca 0.20 1.43 -0.21 0.00 0.02 0.00 0.00 61.00 62.44 3kwd s PRO 147 Cb -0.15 -1.73 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 3kwd s PRO 147 CO 0.08 -2.64 1.12 -2.30 -0.33 0.00 0.00 177.00 172.94 3kwd n PRO 148 N -4.23 1.28 -1.88 5.54 -0.02 -1.26 -3.72 135.00 130.71 3kwd n PRO 148 Ca 0.11 0.48 -0.07 0.00 -2.02 0.00 0.00 63.50 61.99 3kwd n PRO 148 Cb 0.52 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 3kwd n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kwd n GLY 149 N 1.07 0.31 3.82 -1.23 0.00 -0.20 -4.92 105.19 104.03 3kwd n GLY 149 Ca 0.12 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 3kwd n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwd s LYS 150 N -3.87 3.01 -0.13 1.61 -0.14 -1.24 -0.92 119.74 118.06 3kwd s LYS 150 Ca 0.00 -0.70 -0.03 0.00 -1.36 0.00 0.00 55.97 53.88 3kwd s LYS 150 Cb 0.00 -2.77 -0.03 0.00 -1.68 0.00 0.00 37.83 33.36 3kwd s LYS 150 CO 0.00 0.54 -0.04 -0.47 -0.76 0.00 0.00 175.35 174.62 3kwd s TYR 151 N -1.55 3.03 -0.28 3.18 5.04 -0.02 -1.30 117.35 125.44 3kwd s TYR 151 Ca 0.31 -0.17 0.03 0.00 -2.44 0.00 0.00 57.07 54.80 3kwd s TYR 151 Cb -0.11 -1.89 0.07 0.00 0.35 0.00 0.00 41.96 40.38 3kwd s TYR 151 CO 0.24 0.10 -0.06 0.08 -1.34 0.00 0.00 175.55 174.57 3kwd s VAL 152 N -0.03 2.26 0.77 3.14 1.01 -0.26 -4.03 120.40 123.26 3kwd s VAL 152 Ca 0.01 -1.78 -0.14 0.00 0.00 0.00 0.00 61.98 60.07 3kwd s VAL 152 Cb -0.13 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.90 3kwd s VAL 152 CO 0.03 -0.17 1.21 -2.84 0.00 0.00 0.00 175.10 173.33 3kwd s PRO 153 N 1.07 1.90 0.35 2.72 0.02 -1.26 -1.15 135.00 138.65 3kwd s PRO 153 Ca -0.04 1.77 -0.28 0.00 0.02 0.00 0.00 61.00 62.47 3kwd s PRO 153 Cb -0.20 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.40 3kwd s PRO 153 CO -0.05 -2.02 1.35 0.43 -0.33 0.00 0.00 177.00 176.38 3kwd n SER 154 N -2.98 3.06 0.00 2.53 7.64 -1.26 -2.75 113.62 119.85 3kwd n SER 154 Ca 0.14 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.23 3kwd n SER 154 Cb 0.50 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 3kwd n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kwd n GLY 155 N 0.69 1.54 3.76 0.23 0.00 -0.09 -4.94 105.19 106.39 3kwd n GLY 155 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kwd n GLY 155 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kwd s MET 156 N -0.31 4.47 -0.36 1.61 1.00 -1.11 -4.83 119.30 119.76 3kwd s MET 156 Ca 0.00 2.05 -0.00 0.00 0.00 0.00 0.00 55.69 57.74 3kwd s MET 156 Cb 0.00 -3.12 0.09 0.00 0.00 0.00 0.00 34.83 31.80 3kwd s MET 156 CO 0.00 -0.03 0.11 0.08 0.00 0.00 0.00 175.02 175.17 3kwd s VAL 157 N -1.12 2.89 -0.41 -6.03 1.01 -1.26 -1.47 120.40 114.02 3kwd s VAL 157 Ca 0.47 -2.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.35 3kwd s VAL 157 Cb -0.37 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.12 3kwd s VAL 157 CO 0.48 -0.53 0.26 -0.63 0.00 0.00 0.00 175.10 174.67 3kwd s ILE 158 N 1.09 4.43 0.00 2.22 -1.09 0.72 -4.88 121.20 123.68 3kwd s ILE 158 Ca 0.06 -1.20 0.00 0.00 -2.23 0.00 0.00 60.65 57.28 3kwd s ILE 158 Cb -0.21 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 3kwd s ILE 158 CO -0.05 -0.43 0.29 0.35 -1.23 0.00 0.00 174.94 173.88 3kwd n THR 159 N 4.97 0.00 -4.13 2.92 -2.24 -1.26 -1.26 114.28 113.29 3kwd n THR 159 Ca -0.11 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.20 3kwd n THR 159 Cb 0.44 1.35 -0.12 0.00 -2.10 0.00 0.00 70.33 69.90 3kwd n THR 159 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kwd s THR 160 N -0.04 0.87 0.34 4.28 -4.23 -1.26 -4.75 115.64 110.85 3kwd s THR 160 Ca 0.00 -1.25 0.06 0.00 -1.18 0.00 0.00 61.69 59.32 3kwd s THR 160 Cb 0.00 -0.92 0.13 0.00 1.34 0.00 0.00 72.50 73.05 3kwd s THR 160 CO 0.00 -0.32 1.85 -0.61 -0.54 0.00 0.00 174.62 175.00 3kwd h GLN 161 N 4.29 0.40 -0.82 3.99 5.75 -1.93 -1.96 115.11 124.82 3kwd h GLN 161 Ca -0.39 -0.10 0.09 0.00 -0.15 0.00 0.00 58.65 58.10 3kwd h GLN 161 Cb 1.20 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.63 3kwd h GLN 161 CO 0.42 0.52 0.47 1.96 -2.65 0.00 0.00 178.83 179.55 3kwd h GLN 162 N 0.37 0.78 -0.25 1.69 7.50 -1.98 0.56 115.11 123.78 3kwd h GLN 162 Ca 0.07 -0.05 -0.04 0.00 0.50 0.00 0.00 58.65 59.14 3kwd h GLN 162 Cb 0.44 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.78 3kwd h GLN 162 CO 0.02 0.51 0.00 1.96 -1.50 0.00 0.00 178.83 179.83 3kwd h GLN 163 N 0.80 0.43 -0.70 1.46 4.20 -1.80 -3.01 115.11 116.50 3kwd h GLN 163 Ca 0.39 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 59.00 3kwd h GLN 163 Cb 0.35 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3kwd h GLN 163 CO -0.24 0.60 0.46 0.00 -0.67 0.00 0.00 178.83 178.98 3kwd h ALA 164 N 0.81 1.60 0.00 3.87 0.00 -0.87 -2.00 119.26 122.68 3kwd h ALA 164 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kwd h ALA 164 Cb 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kwd h ALA 164 CO 0.01 0.33 0.00 -0.25 0.00 0.00 0.00 179.25 179.34 3kwd n ASP 165 N -4.46 0.00 -0.52 0.00 8.00 0.12 -2.67 116.55 117.02 3kwd n ASP 165 Ca 0.09 0.43 0.12 0.00 0.71 0.00 0.00 54.79 56.13 3kwd n ASP 165 Cb 0.12 -0.47 0.11 0.00 -0.02 0.00 0.00 41.12 40.87 3kwd n ASP 165 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kwd n ARG 166 N -1.47 1.35 -2.02 -1.24 5.12 -0.75 -5.02 116.66 112.63 3kwd n ARG 166 Ca 0.06 -1.05 -0.39 0.00 -1.93 0.00 0.00 57.85 54.54 3kwd n ARG 166 Cb 0.24 -1.48 0.01 0.00 -1.16 0.00 0.00 32.46 30.07 3kwd n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kwd s LEU 167 N -2.38 4.07 0.69 0.55 1.43 -1.09 -5.00 118.68 116.96 3kwd s LEU 167 Ca 0.22 2.62 -0.11 0.00 -1.03 0.00 0.00 54.13 55.83 3kwd s LEU 167 Cb 0.19 -4.07 0.01 0.00 0.03 0.00 0.00 46.19 42.35 3kwd s LEU 167 CO 0.51 -1.06 1.06 -2.16 0.23 0.00 0.00 176.35 174.93 3kwd s PRO 168 N -2.52 2.91 0.43 1.29 0.04 -1.26 -4.87 135.00 131.02 3kwd s PRO 168 Ca 0.62 1.00 -0.22 0.00 0.04 0.00 0.00 61.00 62.44 3kwd s PRO 168 Cb -0.37 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 3kwd s PRO 168 CO 0.46 -1.12 1.02 -0.80 0.04 0.00 0.00 177.00 176.60 3kwd s ASN 169 N -3.64 6.68 0.26 6.66 0.01 -1.26 -0.84 114.94 122.80 3kwd s ASN 169 Ca 0.59 1.94 -0.31 0.00 -0.71 0.00 0.00 52.86 54.37 3kwd s ASN 169 Cb -0.15 -2.57 -0.12 0.00 0.41 0.00 0.00 41.25 38.82 3kwd s ASN 169 CO 0.53 -0.54 1.60 0.52 -1.51 0.00 0.00 177.10 177.70 3kwd n VAL 170 N -0.42 0.69 -3.85 1.60 0.31 -0.10 -4.55 118.33 112.01 3kwd n VAL 170 Ca 0.07 -0.17 -0.22 0.00 -0.01 0.00 0.00 64.34 64.00 3kwd n VAL 170 Cb 0.51 -1.87 -0.05 0.00 -0.91 0.00 0.00 33.84 31.52 3kwd n VAL 170 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3kwd s GLU 171 N 0.01 2.51 0.27 5.55 0.41 -1.26 -5.00 118.70 121.19 3kwd s GLU 171 Ca 0.68 -1.50 0.00 0.00 -0.41 0.00 0.00 54.97 53.75 3kwd s GLU 171 Cb -0.53 -2.31 0.53 0.00 -1.78 0.00 0.00 34.13 30.04 3kwd s GLU 171 CO 0.44 -0.01 1.81 1.49 -0.49 0.00 0.00 175.26 178.50 3kwd h GLU 172 N 1.29 0.85 0.00 1.61 4.57 -2.00 -0.55 114.58 120.34 3kwd h GLU 172 Ca -0.43 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 57.64 3kwd h GLU 172 Cb 1.26 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 3kwd h GLU 172 CO 0.61 0.56 -0.26 0.66 -1.18 0.00 0.00 179.01 179.40 3kwd h SER 173 N 0.87 0.00 -0.17 1.04 4.64 -1.98 0.43 113.55 118.38 3kwd h SER 173 Ca 0.48 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.65 3kwd h SER 173 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3kwd h SER 173 CO -0.29 0.26 -0.46 0.44 -0.87 0.00 0.00 176.83 175.92 3kwd h ASP 174 N 0.00 0.70 -0.35 4.97 3.32 -1.51 -0.80 116.42 122.75 3kwd h ASP 174 Ca -0.00 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 56.46 3kwd h ASP 174 Cb 0.51 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3kwd h ASP 174 CO 0.03 1.16 0.20 0.40 -1.72 0.00 0.00 179.24 179.31 3kwd h ILE 175 N 0.29 1.13 -0.62 0.35 2.04 -1.06 -1.72 117.51 117.92 3kwd h ILE 175 Ca -0.01 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3kwd h ILE 175 Cb 1.07 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3kwd h ILE 175 CO 0.10 0.14 0.38 0.45 0.00 0.00 0.00 178.15 179.22 3kwd h HIS 176 N 0.45 0.72 -0.01 1.37 3.86 -0.90 -1.44 115.15 119.20 3kwd h HIS 176 Ca 0.12 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3kwd h HIS 176 Cb 0.04 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 3kwd h HIS 176 CO -0.03 0.42 -0.05 0.35 0.86 0.00 0.00 177.93 179.48 3kwd h PHE 177 N 0.76 -0.11 -0.21 2.45 3.57 -0.93 -1.41 116.94 121.06 3kwd h PHE 177 Ca 0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3kwd h PHE 177 Cb 0.00 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3kwd h PHE 177 CO -0.05 -0.07 0.13 0.00 -2.23 0.00 0.00 178.31 176.09 3kwd h ALA 178 N 0.92 0.26 -0.84 2.41 0.00 -1.10 -1.36 119.26 119.56 3kwd h ALA 178 Ca 0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3kwd h ALA 178 Cb 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3kwd h ALA 178 CO -0.05 -0.27 0.55 1.96 0.00 0.00 0.00 179.25 181.43 3kwd h GLN 179 N 0.27 0.97 -0.50 0.00 1.08 -1.19 -1.40 115.11 114.33 3kwd h GLN 179 Ca 0.08 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 3kwd h GLN 179 Cb -0.02 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 3kwd h GLN 179 CO -0.03 0.64 -0.08 1.25 -0.95 0.00 0.00 178.83 179.66 3kwd h HIS 180 N 1.00 1.05 -0.25 2.96 2.76 -0.72 -3.12 115.15 118.82 3kwd h HIS 180 Ca 0.34 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3kwd h HIS 180 Cb 0.10 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3kwd h HIS 180 CO -0.00 1.00 0.04 0.28 -1.30 0.00 0.00 177.93 177.95 3kwd h VAL 181 N 0.80 1.23 -0.03 5.26 2.07 -0.74 -3.51 116.25 121.33 3kwd h VAL 181 Ca 0.13 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3kwd h VAL 181 Cb 0.63 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3kwd h VAL 181 CO 0.04 0.24 0.00 1.33 0.02 0.00 0.00 177.57 179.20