#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sms h HIS 4 N 0.00 0.00 -0.29 0.00 6.17 -2.03 -0.62 115.15 118.38 1sms h HIS 4 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 60.37 60.93 1sms h HIS 4 Cb 0.00 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 29.93 1sms h HIS 4 CO 0.00 0.00 -0.42 -0.91 0.71 0.00 0.00 177.93 177.31 1sms h ASN 5 N 0.00 0.87 -1.13 3.26 2.35 -2.01 -3.04 115.58 115.88 1sms h ASN 5 Ca 0.23 -0.51 0.32 0.00 -0.55 0.00 0.00 56.30 55.79 1sms h ASN 5 Cb 0.93 -0.25 -0.08 0.00 0.05 0.00 0.00 38.32 38.97 1sms h ASN 5 CO -0.00 1.21 0.77 1.56 -1.65 0.00 0.00 177.43 179.31 1sms h GLN 6 N 0.56 0.20 0.11 0.81 4.20 -1.53 1.49 115.11 120.96 1sms h GLN 6 Ca 0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1sms h GLN 6 Cb 1.01 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1sms h GLN 6 CO 0.10 0.13 -0.05 0.35 -0.67 0.00 0.00 178.83 178.68 1sms h PHE 7 N 0.20 -0.14 0.00 2.96 3.57 -1.57 -3.04 116.94 118.93 1sms h PHE 7 Ca 0.61 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.11 1sms h PHE 7 Cb 1.93 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.72 1sms h PHE 7 CO -0.00 0.36 0.00 1.28 -2.23 0.00 0.00 178.31 177.72 1sms n LEU 8 N -4.88 0.39 0.12 0.59 4.77 0.95 -1.19 117.00 117.74 1sms n LEU 8 Ca -0.08 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1sms n LEU 8 Cb 0.28 -0.59 0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1sms n LEU 8 CO 0.28 -0.53 0.41 0.50 -1.33 0.00 0.00 177.39 176.72 1sms h LYS 9 N 0.00 0.00 0.00 3.23 3.64 0.19 -2.94 116.57 120.70 1sms h LYS 9 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sms h LYS 9 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1sms h LYS 9 CO 0.00 0.63 0.00 2.41 -2.27 0.00 0.00 179.45 180.22 1sms n THR 10 N -3.33 1.02 -1.47 1.00 -1.04 -0.34 -2.79 114.28 107.33 1sms n THR 10 Ca 0.01 0.30 0.07 0.00 -2.04 0.00 0.00 64.05 62.39 1sms n THR 10 Cb 0.76 -1.17 0.12 0.00 -1.82 0.00 0.00 70.33 68.21 1sms n THR 10 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1sms n PHE 11 N -1.86 0.00 0.31 -1.42 3.01 -1.11 -4.83 117.46 111.56 1sms n PHE 11 Ca 0.02 -0.87 0.00 0.00 1.01 0.00 0.00 57.45 57.61 1sms n PHE 11 Cb 0.17 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1sms n PHE 11 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1sms n GLN 12 N -0.94 0.31 0.00 -1.08 1.13 -1.12 -1.04 117.38 114.64 1sms n GLN 12 Ca 0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1sms n GLN 12 Cb 0.70 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.83 1sms n GLN 12 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1sms n LYS 13 N 0.52 4.00 0.00 -1.09 4.01 -1.26 -4.59 118.16 119.75 1sms n LYS 13 Ca 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.86 1sms n LYS 13 Cb 0.10 -0.58 -0.03 0.00 -0.51 0.00 0.00 35.03 34.02 1sms n LYS 13 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1sms n GLU 14 N -0.35 2.38 -0.10 1.97 0.28 -0.72 -3.95 120.64 120.14 1sms n GLU 14 Ca 0.00 -0.41 0.05 0.00 -0.16 0.00 0.00 57.16 56.64 1sms n GLU 14 Cb 0.02 -1.12 0.11 0.00 1.43 0.00 0.00 31.44 31.87 1sms n GLU 14 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1sms n ARG 15 N -0.64 1.94 -0.12 3.44 1.85 -0.21 -3.75 116.66 119.17 1sms n ARG 15 Ca 0.04 -1.67 -0.27 0.00 -1.00 0.00 0.00 57.85 54.95 1sms n ARG 15 Cb 0.23 -1.23 -0.11 0.00 -1.05 0.00 0.00 32.46 30.30 1sms n ARG 15 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1sms n HIS 16 N 0.51 0.33 0.29 2.89 -0.00 -1.26 -3.85 115.22 114.12 1sms n HIS 16 Ca 0.09 0.14 0.18 0.00 0.46 0.00 0.00 57.72 58.58 1sms n HIS 16 Cb 0.36 -1.03 0.97 0.00 -0.12 0.00 0.00 29.99 30.16 1sms n HIS 16 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1sms h ASP 17 N -0.90 0.00 0.08 0.26 3.45 -1.74 -1.94 116.42 115.62 1sms h ASP 17 Ca -0.59 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 56.87 1sms h ASP 17 Cb 1.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.33 1sms h ASP 17 CO -0.33 0.00 -0.04 0.24 -1.57 0.00 0.00 179.24 177.54 1sms h MET 18 N 0.00 -0.11 -0.24 3.56 2.86 -1.70 -2.16 114.93 117.14 1sms h MET 18 Ca 0.02 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1sms h MET 18 Cb 0.20 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1sms h MET 18 CO -0.00 0.44 -0.02 0.87 1.06 0.00 0.00 176.91 179.26 1sms h LYS 19 N -0.82 0.04 -0.12 1.72 1.57 -1.57 0.33 116.57 117.72 1sms h LYS 19 Ca -0.01 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1sms h LYS 19 Cb 0.60 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1sms h LYS 19 CO 0.02 0.03 0.32 1.49 -0.57 0.00 0.00 179.45 180.74 1sms h GLU 20 N 0.04 0.00 0.00 3.15 4.57 -1.42 0.27 114.58 121.19 1sms h GLU 20 Ca 0.11 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1sms h GLU 20 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1sms h GLU 20 CO -0.21 0.00 -1.99 0.00 -1.18 0.00 0.00 179.01 175.63 1sms n ALA 21 N -2.05 2.67 -0.33 2.92 0.00 0.45 -4.35 120.51 119.82 1sms n ALA 21 Ca 0.00 -0.58 0.15 0.00 0.00 0.00 0.00 53.44 53.02 1sms n ALA 21 Cb 0.41 -0.72 0.38 0.00 0.00 0.00 0.00 19.45 19.52 1sms n ALA 21 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1sms h GLU 22 N 0.00 0.63 -0.79 0.00 5.08 0.31 0.36 114.58 120.18 1sms h GLU 22 Ca -0.05 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.45 1sms h GLU 22 Cb 1.12 -0.14 -0.12 0.00 0.50 0.00 0.00 28.75 30.10 1sms h GLU 22 CO 0.00 0.42 0.20 0.87 -1.00 0.00 0.00 179.01 179.51 1sms h LYS 23 N 0.65 0.26 -0.58 2.33 1.57 -1.76 0.62 116.57 119.66 1sms h LYS 23 Ca 0.57 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 1sms h LYS 23 Cb 1.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1sms h LYS 23 CO -0.35 0.17 0.00 -0.25 -0.57 0.00 0.00 179.45 178.45 1sms n ASP 24 N -5.17 1.60 -4.45 0.86 8.00 0.13 -4.68 116.55 112.84 1sms n ASP 24 Ca 0.17 -2.12 -0.43 0.00 0.71 0.00 0.00 54.79 53.11 1sms n ASP 24 Cb 0.53 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 1sms n ASP 24 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1sms s GLU 25 N -1.57 3.13 0.55 -1.24 -6.30 0.22 -4.89 118.70 108.59 1sms s GLU 25 Ca 0.12 -0.84 0.21 0.00 -2.50 0.00 0.00 54.97 51.96 1sms s GLU 25 Cb 0.08 -4.19 1.47 0.00 0.00 0.00 0.00 34.13 31.49 1sms s GLU 25 CO 0.06 -1.62 2.18 -0.84 0.02 0.00 0.00 175.26 175.06 1sms h ILE 26 N 5.96 0.82 0.00 -3.70 -0.00 -1.84 0.02 117.51 118.77 1sms h ILE 26 Ca -0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.57 1sms h ILE 26 Cb 1.08 0.99 -0.00 0.00 -0.00 0.00 0.00 36.82 38.89 1sms h ILE 26 CO 1.12 0.00 -0.01 0.25 -0.00 0.00 0.00 178.15 179.51 1sms h LEU 27 N 0.00 0.00 -2.77 0.16 5.85 -1.94 0.28 115.31 116.89 1sms h LEU 27 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1sms h LEU 27 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1sms h LEU 27 CO -0.00 0.01 0.00 0.18 -0.34 0.00 0.00 178.44 178.29 1sms n LEU 28 N -3.64 2.67 -3.29 2.25 4.77 -0.12 -2.31 117.00 117.33 1sms n LEU 28 Ca -0.03 -1.91 -0.28 0.00 -0.03 0.00 0.00 56.01 53.76 1sms n LEU 28 Cb 0.10 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1sms n LEU 28 CO 0.26 0.66 2.36 0.80 -1.33 0.00 0.00 177.39 180.14 1sms n MET 29 N 0.35 2.05 -1.07 3.23 1.56 0.98 -4.87 117.12 119.34 1sms n MET 29 Ca 0.09 -1.60 -0.40 0.00 -0.27 0.00 0.00 57.70 55.52 1sms n MET 29 Cb 0.38 -2.58 -0.11 0.00 2.15 0.00 0.00 33.22 33.06 1sms n MET 29 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1sms n GLU 30 N 4.81 0.00 -0.32 2.12 0.28 -1.26 -4.88 120.64 121.39 1sms n GLU 30 Ca 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 1sms n GLU 30 Cb 0.20 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 31.89 1sms n GLU 30 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1sms n ASN 31 N 6.97 1.86 0.16 -1.84 5.15 -1.26 -5.08 115.26 121.22 1sms n ASN 31 Ca 0.47 -0.16 -0.14 0.00 -0.60 0.00 0.00 54.58 54.15 1sms n ASN 31 Cb -0.01 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.16 1sms n ASN 31 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1sms h SER 32 N 0.00 -0.34 0.00 1.20 4.64 -1.93 -3.43 113.55 113.69 1sms h SER 32 Ca 0.00 -0.14 -0.35 0.00 -0.47 0.00 0.00 61.79 60.83 1sms h SER 32 Cb 0.00 0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 62.07 1sms h SER 32 CO 0.00 -0.04 1.93 -2.11 -0.87 0.00 0.00 176.83 175.74 1sms n ARG 33 N -5.16 0.00 -0.05 4.77 -4.01 -1.26 -4.67 116.66 106.28 1sms n ARG 33 Ca -0.10 0.00 -0.19 0.00 -1.04 0.00 0.00 57.85 56.53 1sms n ARG 33 Cb 0.25 -0.97 -0.13 0.00 -3.04 0.00 0.00 32.46 28.56 1sms n ARG 33 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 1sms n ARG 34 N 5.33 0.71 -4.43 2.89 3.00 -1.26 -3.81 116.66 119.09 1sms n ARG 34 Ca 0.65 0.21 -0.24 0.00 -0.00 0.00 0.00 57.85 58.46 1sms n ARG 34 Cb 0.13 -1.64 -0.13 0.00 0.00 0.00 0.00 32.46 30.82 1sms n ARG 34 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1sms s PHE 35 N -2.54 1.75 -0.84 -0.14 0.40 -1.26 -4.63 117.98 110.72 1sms s PHE 35 Ca -0.25 -0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 55.46 1sms s PHE 35 Cb 0.08 -1.00 -0.18 0.00 0.51 0.00 0.00 43.02 42.42 1sms s PHE 35 CO 0.72 0.15 2.33 0.28 0.70 0.00 0.00 175.22 179.39 1sms n VAL 36 N 1.44 0.00 -2.09 -0.44 0.31 -1.26 -4.85 118.33 111.44 1sms n VAL 36 Ca -0.19 -0.47 -0.40 0.00 -0.01 0.00 0.00 64.34 63.27 1sms n VAL 36 Cb 0.53 -1.56 -0.01 0.00 -0.91 0.00 0.00 33.84 31.89 1sms n VAL 36 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1sms s MET 37 N 8.46 4.19 0.00 5.55 1.75 -1.26 -4.96 119.30 133.03 1sms s MET 37 Ca 0.99 2.19 0.00 0.00 -1.25 0.00 0.00 55.69 57.62 1sms s MET 37 Cb -0.27 -2.93 0.00 0.00 2.84 0.00 0.00 34.83 34.47 1sms s MET 37 CO 0.19 -0.32 0.00 0.34 -0.65 0.00 0.00 175.02 174.58 1sms n PHE 38 N 0.50 0.00 -0.08 4.11 7.35 -1.26 -4.55 117.46 123.54 1sms n PHE 38 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1sms n PHE 38 Cb 0.43 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.26 1sms n PHE 38 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1sms n PRO 39 N 0.00 -0.00 -1.80 -7.13 -0.02 -1.26 -4.63 135.00 120.16 1sms n PRO 39 Ca 0.00 -0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1sms n PRO 39 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 1sms n PRO 39 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1sms s ILE 40 N -0.07 2.14 -0.23 4.25 1.01 -1.26 -4.97 121.20 122.07 1sms s ILE 40 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.71 1sms s ILE 40 Cb 0.00 -3.07 -0.18 0.00 0.01 0.00 0.00 42.46 39.22 1sms s ILE 40 CO 0.00 0.02 -0.10 1.17 0.00 0.00 0.00 174.94 176.03 1sms n LYS 41 N 2.62 0.65 -2.72 2.79 4.81 -1.26 -4.78 118.16 120.27 1sms n LYS 41 Ca 0.10 0.23 -0.42 0.00 -0.87 0.00 0.00 58.31 57.35 1sms n LYS 41 Cb 0.37 -1.57 -0.03 0.00 0.02 0.00 0.00 35.03 33.82 1sms n LYS 41 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1sms s TYR 42 N -2.51 2.65 -0.03 5.64 1.51 -1.26 -4.88 117.35 118.47 1sms s TYR 42 Ca -0.33 -0.73 -0.26 0.00 -1.01 0.00 0.00 57.07 54.74 1sms s TYR 42 Cb 0.10 -4.48 -0.21 0.00 -0.11 0.00 0.00 41.96 37.25 1sms s TYR 42 CO 0.61 -1.79 1.24 0.45 -1.11 0.00 0.00 175.55 174.95 1sms h HIS 43 N 9.56 0.01 0.48 2.71 3.86 -1.99 -2.96 115.15 126.82 1sms h HIS 43 Ca -0.03 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1sms h HIS 43 Cb 1.04 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 1sms h HIS 43 CO 1.14 0.53 -0.38 0.93 0.86 0.00 0.00 177.93 181.01 1sms h GLU 44 N -0.51 -0.80 -1.12 2.45 3.07 -1.98 0.58 114.58 116.27 1sms h GLU 44 Ca 0.00 0.05 0.39 0.00 -0.50 0.00 0.00 59.36 59.31 1sms h GLU 44 Cb 0.53 0.18 -0.15 0.00 -0.84 0.00 0.00 28.75 28.47 1sms h GLU 44 CO 0.00 -0.53 0.67 0.82 -1.40 0.00 0.00 179.01 178.57 1sms h ILE 45 N -0.83 0.16 0.04 3.13 2.04 -1.94 1.26 117.51 121.37 1sms h ILE 45 Ca -0.06 -0.05 -0.26 0.00 1.00 0.00 0.00 64.86 65.48 1sms h ILE 45 Cb 0.70 -0.00 0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1sms h ILE 45 CO 0.01 0.03 -1.05 -0.25 0.00 0.00 0.00 178.15 176.88 1sms h TRP 46 N 0.15 0.99 -0.62 1.37 2.91 -1.21 -2.75 115.95 116.79 1sms h TRP 46 Ca 0.80 -0.56 0.13 0.00 1.13 0.00 0.00 58.89 60.38 1sms h TRP 46 Cb 2.17 -0.10 -0.11 0.00 -0.51 0.00 0.00 29.16 30.61 1sms h TRP 46 CO -0.01 1.40 -0.04 0.00 -1.03 0.00 0.00 178.44 178.76 1sms h ALA 47 N 0.35 0.55 -0.88 2.65 0.00 0.70 0.90 119.26 123.53 1sms h ALA 47 Ca -0.14 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1sms h ALA 47 Cb 1.72 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.84 1sms h ALA 47 CO 0.21 -0.41 0.46 0.00 0.00 0.00 0.00 179.25 179.50 1sms h ALA 48 N 1.58 1.14 0.60 0.00 0.00 -0.90 -0.24 119.26 121.43 1sms h ALA 48 Ca 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1sms h ALA 48 Cb 0.51 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sms h ALA 48 CO -0.56 0.67 -0.39 -0.92 0.00 0.00 0.00 179.25 178.05 1sms h TYR 49 N 1.25 -1.04 -0.93 0.00 3.20 -0.56 -1.96 116.97 116.93 1sms h TYR 49 Ca 0.31 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.37 1sms h TYR 49 Cb 0.07 0.38 -0.08 0.00 1.54 0.00 0.00 36.73 38.64 1sms h TYR 49 CO 0.01 -0.57 0.61 0.87 -1.64 0.00 0.00 178.16 177.44 1sms h LYS 50 N -0.93 0.47 0.16 1.82 1.79 -1.17 0.80 116.57 119.51 1sms h LYS 50 Ca -0.08 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1sms h LYS 50 Cb 0.75 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1sms h LYS 50 CO 0.07 0.31 -0.12 -0.22 -1.08 0.00 0.00 179.45 178.41 1sms h LYS 51 N 0.48 -0.26 -0.31 3.15 3.64 -0.51 -0.81 116.57 121.96 1sms h LYS 51 Ca 0.50 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.94 1sms h LYS 51 Cb 1.13 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1sms h LYS 51 CO -0.22 -0.17 0.21 -0.39 -2.27 0.00 0.00 179.45 176.60 1sms h VAL 52 N -0.27 0.98 -0.63 2.00 -1.51 -1.09 -0.54 116.25 115.19 1sms h VAL 52 Ca -0.02 -0.09 0.04 0.00 -1.23 0.00 0.00 66.70 65.40 1sms h VAL 52 Cb 0.22 0.71 -0.04 0.00 -2.13 0.00 0.00 31.29 30.06 1sms h VAL 52 CO 0.01 0.05 0.42 -0.08 -1.23 0.00 0.00 177.57 176.73 1sms h GLU 53 N 0.25 0.70 -0.63 5.19 4.81 -0.53 -1.78 114.58 122.59 1sms h GLU 53 Ca 0.13 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1sms h GLU 53 Cb 0.21 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1sms h GLU 53 CO -0.03 0.47 0.30 0.00 -0.73 0.00 0.00 179.01 179.02 1sms h ALA 54 N 1.64 1.34 -0.16 2.92 0.00 0.41 -2.97 119.26 122.43 1sms h ALA 54 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sms h ALA 54 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1sms h ALA 54 CO -0.07 0.51 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 1sms n SER 55 N -4.35 0.90 -4.43 0.00 3.41 -0.67 -4.98 113.62 103.51 1sms n SER 55 Ca 0.06 -1.95 -0.40 0.00 -0.26 0.00 0.00 58.87 56.31 1sms n SER 55 Cb 0.13 -0.11 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1sms n SER 55 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1sms n PHE 56 N -0.03 -0.94 -3.60 7.33 7.35 -1.13 -5.01 117.46 121.44 1sms n PHE 56 Ca 0.07 0.52 -0.09 0.00 -0.76 0.00 0.00 57.45 57.19 1sms n PHE 56 Cb 0.15 -1.93 -0.02 0.00 0.35 0.00 0.00 39.48 38.03 1sms n PHE 56 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1sms s TRP 57 N -1.64 -0.37 0.45 -5.13 1.48 -1.26 -5.14 118.94 107.32 1sms s TRP 57 Ca 0.64 0.08 0.05 0.00 -1.06 0.00 0.00 56.10 55.81 1sms s TRP 57 Cb -0.53 0.61 -0.05 0.00 -1.16 0.00 0.00 33.47 32.34 1sms s TRP 57 CO 0.58 -0.94 0.06 0.95 -4.06 0.00 0.00 176.95 173.54 1sms s THR 58 N -3.70 1.79 0.25 0.66 -4.23 -1.26 -5.03 115.64 104.11 1sms s THR 58 Ca 0.06 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1sms s THR 58 Cb -0.03 -2.70 0.04 0.00 1.34 0.00 0.00 72.50 71.16 1sms s THR 58 CO -0.05 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.70 1sms h ALA 59 N 1.52 0.98 -0.10 3.99 0.00 -1.97 -1.92 119.26 121.77 1sms h ALA 59 Ca -0.43 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.13 1sms h ALA 59 Cb 1.27 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1sms h ALA 59 CO 0.75 0.60 0.22 0.93 0.00 0.00 0.00 179.25 181.75 1sms h GLU 60 N 0.50 0.00 0.00 0.00 3.07 -1.98 0.36 114.58 116.54 1sms h GLU 60 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1sms h GLU 60 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1sms h GLU 60 CO 0.06 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.06 1sms n GLU 61 N -3.32 0.57 -4.01 2.33 1.02 -0.72 -4.30 120.64 112.21 1sms n GLU 61 Ca -0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 1sms n GLU 61 Cb 0.31 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.11 1sms n GLU 61 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1sms s ILE 62 N -2.00 2.24 -0.62 -3.67 1.01 0.13 -4.97 121.20 113.32 1sms s ILE 62 Ca 0.26 -2.30 -0.25 0.00 0.00 0.00 0.00 60.65 58.36 1sms s ILE 62 Cb 0.12 -2.65 0.04 0.00 0.01 0.00 0.00 42.46 39.98 1sms s ILE 62 CO 0.20 -0.58 1.05 -1.83 0.00 0.00 0.00 174.94 173.78 1sms s GLU 63 N 0.93 3.28 -0.48 2.79 1.03 -1.26 -5.02 118.70 119.97 1sms s GLU 63 Ca 0.10 -0.31 -0.12 0.00 0.03 0.00 0.00 54.97 54.68 1sms s GLU 63 Cb -0.19 -4.11 0.11 0.00 -0.80 0.00 0.00 34.13 29.14 1sms s GLU 63 CO -0.08 -1.72 0.38 -0.51 -1.33 0.00 0.00 175.26 171.99 1sms s LEU 64 N 4.49 5.73 0.00 1.83 1.43 -1.26 -4.44 118.68 126.45 1sms s LEU 64 Ca 0.31 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.68 1sms s LEU 64 Cb -0.12 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1sms s LEU 64 CO 0.17 -0.71 0.00 0.00 0.23 0.00 0.00 176.35 176.05 1sms n ALA 65 N 5.04 0.00 -0.92 4.21 0.00 -1.26 -4.88 120.51 122.70 1sms n ALA 65 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1sms n ALA 65 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1sms n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sms n LYS 66 N -0.54 -1.51 0.00 0.00 4.76 -1.26 -4.40 118.16 115.21 1sms n LYS 66 Ca 0.00 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 1sms n LYS 66 Cb 0.00 -4.75 0.00 0.00 -1.84 0.00 0.00 35.03 28.44 1sms n LYS 66 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1sms n ASP 67 N -0.75 0.37 0.04 4.39 2.03 -1.26 -4.57 116.55 116.79 1sms n ASP 67 Ca 0.00 -0.22 -0.06 0.00 0.52 0.00 0.00 54.79 55.03 1sms n ASP 67 Cb 0.38 0.51 -0.11 0.00 -0.72 0.00 0.00 41.12 41.17 1sms n ASP 67 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1sms h THR 68 N 0.00 1.27 0.00 5.18 2.02 -1.90 -3.37 112.91 116.11 1sms h THR 68 Ca 0.00 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 64.20 1sms h THR 68 Cb 0.00 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1sms h THR 68 CO 0.00 0.72 0.00 -0.62 0.37 0.00 0.00 175.52 175.99 1sms n GLU 69 N -3.20 0.00 -0.03 6.66 1.02 -1.26 -2.29 120.64 121.53 1sms n GLU 69 Ca -0.06 0.18 0.16 0.00 -0.02 0.00 0.00 57.16 57.42 1sms n GLU 69 Cb 0.95 -1.07 0.25 0.00 -0.02 0.00 0.00 31.44 31.55 1sms n GLU 69 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1sms n ASP 70 N -0.84 0.00 0.00 1.62 9.92 -1.26 -1.35 116.55 124.63 1sms n ASP 70 Ca 0.00 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 1sms n ASP 70 Cb 0.00 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 1sms n ASP 70 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1sms n PHE 71 N -2.71 0.00 0.00 1.24 7.35 -0.97 -3.65 117.46 118.72 1sms n PHE 71 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1sms n PHE 71 Cb 1.17 -0.41 0.00 0.00 0.35 0.00 0.00 39.48 40.58 1sms n PHE 71 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1sms n GLN 72 N -1.73 0.00 -2.55 -4.13 1.13 -0.46 -1.85 117.38 107.79 1sms n GLN 72 Ca 0.00 0.14 -0.30 0.00 -1.94 0.00 0.00 57.00 54.90 1sms n GLN 72 Cb 0.00 -1.54 -0.00 0.00 0.11 0.00 0.00 30.24 28.81 1sms n GLN 72 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1sms n LYS 73 N -1.07 3.46 -3.51 -1.09 5.02 -1.11 -5.01 118.16 114.85 1sms n LYS 73 Ca 0.00 -4.49 -0.13 0.00 -2.02 0.00 0.00 58.31 51.67 1sms n LYS 73 Cb 0.04 -2.27 -0.04 0.00 -0.02 0.00 0.00 35.03 32.74 1sms n LYS 73 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sms n LEU 74 N -0.38 0.00 0.00 -0.35 4.77 -0.77 -4.93 117.00 115.34 1sms n LEU 74 Ca 0.39 -2.24 -0.12 0.00 -0.03 0.00 0.00 56.01 54.01 1sms n LEU 74 Cb 0.48 1.60 0.12 0.00 -2.33 0.00 0.00 43.42 43.30 1sms n LEU 74 CO 0.38 -0.44 0.14 0.35 -1.33 0.00 0.00 177.39 176.48 1sms n THR 75 N -0.45 0.00 0.44 -5.08 -2.24 -1.26 -4.95 114.28 100.74 1sms n THR 75 Ca 0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 1sms n THR 75 Cb 0.44 -0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 68.19 1sms n THR 75 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sms n ASP 76 N -3.86 0.50 -0.12 3.42 8.00 -1.26 -4.15 116.55 119.09 1sms n ASP 76 Ca 0.06 -0.31 -0.24 0.00 0.71 0.00 0.00 54.79 55.00 1sms n ASP 76 Cb 0.24 1.28 -0.08 0.00 -0.02 0.00 0.00 41.12 42.54 1sms n ASP 76 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1sms n ASP 77 N -1.99 1.76 -0.33 -2.24 8.00 -1.26 -3.15 116.55 117.35 1sms n ASP 77 Ca 0.00 0.30 0.26 0.00 0.71 0.00 0.00 54.79 56.06 1sms n ASP 77 Cb 0.46 -0.73 0.49 0.00 -0.02 0.00 0.00 41.12 41.33 1sms n ASP 77 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1sms h GLN 78 N -0.89 0.11 0.17 -1.24 4.20 -1.81 4.33 115.11 119.99 1sms h GLN 78 Ca -0.55 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.16 1sms h GLN 78 Cb 1.47 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.19 1sms h GLN 78 CO -0.33 0.07 -0.44 -0.22 -0.67 0.00 0.00 178.83 177.24 1sms h LYS 79 N 0.11 -0.65 0.00 1.46 3.64 -1.73 -0.26 116.57 119.15 1sms h LYS 79 Ca 0.76 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 60.09 1sms h LYS 79 Cb 1.85 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.80 1sms h LYS 79 CO -0.73 -0.43 -0.44 1.79 -2.27 0.00 0.00 179.45 177.36 1sms h THR 80 N -0.68 1.08 0.08 1.00 1.35 0.31 -2.90 112.91 113.15 1sms h THR 80 Ca -0.02 -1.64 0.02 0.00 -0.55 0.00 0.00 66.41 64.23 1sms h THR 80 Cb 0.65 1.95 -0.04 0.00 -1.73 0.00 0.00 68.15 68.99 1sms h THR 80 CO -0.20 0.43 -0.25 0.22 -0.25 0.00 0.00 175.52 175.47 1sms h TYR 81 N 0.00 -0.68 0.26 4.73 3.20 0.79 0.14 116.97 125.42 1sms h TYR 81 Ca -0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1sms h TYR 81 Cb 0.91 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.44 1sms h TYR 81 CO 0.00 -0.35 -0.43 0.82 -1.64 0.00 0.00 178.16 176.56 1sms h ILE 82 N -0.44 0.14 -1.00 1.81 2.04 -0.98 0.76 117.51 119.85 1sms h ILE 82 Ca 0.04 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.17 1sms h ILE 82 Cb 0.48 0.14 -0.13 0.00 -0.74 0.00 0.00 36.82 36.57 1sms h ILE 82 CO -0.17 0.00 0.57 1.23 0.00 0.00 0.00 178.15 179.78 1sms h GLY 83 N -0.76 1.94 1.23 5.37 0.00 -1.25 0.74 103.07 110.34 1sms h GLY 83 Ca -0.01 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 1sms h GLY 83 CO -0.16 -0.33 -0.49 3.43 0.00 0.00 0.00 176.54 178.99 1sms h ASN 84 N 0.48 0.90 0.57 0.19 2.35 -0.21 -2.67 115.58 117.19 1sms h ASN 84 Ca 0.67 -0.45 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1sms h ASN 84 Cb 1.37 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 1sms h ASN 84 CO -0.53 1.23 -0.36 0.25 -1.65 0.00 0.00 177.43 176.37 1sms h LEU 85 N 0.65 -0.91 0.00 1.61 7.12 0.25 0.24 115.31 124.26 1sms h LEU 85 Ca 0.03 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.09 1sms h LEU 85 Cb 1.07 0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1sms h LEU 85 CO 0.11 -0.55 0.02 0.18 -0.13 0.00 0.00 178.44 178.07 1sms n LEU 86 N -4.64 0.00 -0.03 2.25 4.77 0.20 -1.98 117.00 117.57 1sms n LEU 86 Ca -0.11 0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 1sms n LEU 86 Cb 0.37 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1sms n LEU 86 CO 0.25 -0.12 -0.68 0.00 -1.33 0.00 0.00 177.39 175.50 1sms n ALA 87 N -1.07 1.87 0.11 -1.18 0.00 -0.86 -3.93 120.51 115.46 1sms n ALA 87 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.16 1sms n ALA 87 Cb 0.02 0.25 0.07 0.00 0.00 0.00 0.00 19.45 19.79 1sms n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sms n LEU 88 N -2.44 0.00 0.00 0.00 4.77 0.80 -2.50 117.00 117.63 1sms n LEU 88 Ca -0.10 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1sms n LEU 88 Cb 0.64 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1sms n LEU 88 CO 0.08 -0.43 0.00 -1.20 -1.33 0.00 0.00 177.39 174.51 1sms n SER 89 N -1.48 0.00 0.00 -1.43 7.64 -1.17 -2.70 113.62 114.48 1sms n SER 89 Ca 0.01 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1sms n SER 89 Cb 0.04 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1sms n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sms n ILE 90 N -2.13 0.43 0.00 0.44 3.06 -1.17 -1.15 119.36 118.84 1sms n ILE 90 Ca 0.00 0.41 0.00 0.00 -2.50 0.00 0.00 62.75 60.66 1sms n ILE 90 Cb 0.00 -1.41 0.00 0.00 0.54 0.00 0.00 39.64 38.77 1sms n ILE 90 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1sms n SER 91 N -1.04 0.98 0.00 9.51 3.41 -1.04 -4.82 113.62 120.62 1sms n SER 91 Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1sms n SER 91 Cb 0.30 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1sms n SER 91 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1sms n SER 92 N -0.30 0.00 0.47 4.04 2.88 -0.30 -4.71 113.62 115.70 1sms n SER 92 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1sms n SER 92 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1sms n SER 92 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1sms h ASP 93 N 0.00 -1.02 -1.37 -3.46 3.32 -1.44 -2.93 116.42 109.52 1sms h ASP 93 Ca 0.00 0.04 0.43 0.00 0.02 0.00 0.00 57.03 57.52 1sms h ASP 93 Cb 0.00 0.26 -0.11 0.00 0.22 0.00 0.00 39.33 39.70 1sms h ASP 93 CO 0.00 -0.69 0.91 -1.13 -1.72 0.00 0.00 179.24 176.61 1sms h ASN 94 N -1.28 0.21 0.16 6.45 -0.73 -1.77 0.90 115.58 119.52 1sms h ASN 94 Ca -0.12 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 1sms h ASN 94 Cb 0.92 0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.60 1sms h ASN 94 CO 0.20 -0.13 -0.08 -0.07 -0.37 0.00 0.00 177.43 176.99 1sms h LEU 95 N 0.09 -0.18 -2.05 0.34 3.38 -1.72 -2.96 115.31 112.21 1sms h LEU 95 Ca 0.80 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.88 1sms h LEU 95 Cb 2.62 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 43.40 1sms h LEU 95 CO -0.33 0.00 0.29 0.58 0.09 0.00 0.00 178.44 179.07 1sms h VAL 96 N -0.49 0.68 0.13 1.22 2.07 -1.22 -1.81 116.25 116.83 1sms h VAL 96 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1sms h VAL 96 Cb 0.17 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1sms h VAL 96 CO 0.04 0.00 -0.51 0.78 0.02 0.00 0.00 177.57 177.89 1sms h ASN 97 N 0.00 -1.54 -1.01 0.57 4.21 0.80 -1.64 115.58 116.98 1sms h ASN 97 Ca 0.17 0.16 0.02 0.00 1.21 0.00 0.00 56.30 57.86 1sms h ASN 97 Cb 0.74 0.57 -0.05 0.00 -1.12 0.00 0.00 38.32 38.46 1sms h ASN 97 CO -0.00 -0.56 0.66 0.11 -1.29 0.00 0.00 177.43 176.36 1sms h LYS 98 N -0.75 1.30 -0.24 0.81 1.57 -1.15 -2.89 116.57 115.21 1sms h LYS 98 Ca -0.00 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1sms h LYS 98 Cb 0.76 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1sms h LYS 98 CO -0.28 0.86 0.09 1.88 -0.57 0.00 0.00 179.45 181.43 1sms h TYR 99 N 1.34 0.38 -0.53 -1.35 0.05 -1.41 -3.11 116.97 112.34 1sms h TYR 99 Ca 0.38 -0.03 0.07 0.00 0.05 0.00 0.00 58.73 59.20 1sms h TYR 99 Cb -0.11 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 37.46 1sms h TYR 99 CO -0.00 0.41 0.21 -0.07 -1.05 0.00 0.00 178.16 177.66 1sms h LEU 100 N 0.24 0.24 -2.07 3.88 3.38 -1.15 -2.01 115.31 117.82 1sms h LEU 100 Ca 0.08 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1sms h LEU 100 Cb 0.20 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1sms h LEU 100 CO -0.01 0.16 0.15 0.40 0.09 0.00 0.00 178.44 179.24 1sms h ILE 101 N 0.41 0.79 0.05 1.22 2.04 -1.45 -0.66 117.51 119.91 1sms h ILE 101 Ca 0.26 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.88 1sms h ILE 101 Cb 0.26 0.89 0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1sms h ILE 101 CO -0.24 0.00 -0.94 -0.33 0.00 0.00 0.00 178.15 176.64 1sms h GLU 102 N 0.00 0.55 0.24 2.37 5.08 -1.35 -0.69 114.58 120.78 1sms h GLU 102 Ca 0.09 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 1sms h GLU 102 Cb 0.39 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1sms h GLU 102 CO -0.00 1.27 -0.23 -0.91 -1.00 0.00 0.00 179.01 178.14 1sms h ASN 103 N 0.13 -0.62 -0.76 1.42 4.21 -0.89 0.24 115.58 119.32 1sms h ASN 103 Ca -0.13 0.05 0.11 0.00 1.21 0.00 0.00 56.30 57.54 1sms h ASN 103 Cb 1.63 0.20 -0.08 0.00 -1.12 0.00 0.00 38.32 38.95 1sms h ASN 103 CO 0.18 -0.30 0.37 -0.26 -1.29 0.00 0.00 177.43 176.12 1sms h PHE 104 N -0.46 0.65 -0.42 1.19 -1.00 -1.28 -0.18 116.94 115.44 1sms h PHE 104 Ca -0.03 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.85 1sms h PHE 104 Cb 0.40 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 39.72 1sms h PHE 104 CO -0.13 0.19 0.07 1.03 -1.61 0.00 0.00 178.31 177.86 1sms h SER 105 N 0.58 -0.02 -0.48 2.17 0.87 -0.86 -0.68 113.55 115.14 1sms h SER 105 Ca 0.39 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 61.06 1sms h SER 105 Cb 0.48 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 1sms h SER 105 CO -0.32 0.02 0.26 0.00 -0.53 0.00 0.00 176.83 176.27 1sms h ALA 106 N 1.33 0.60 -0.52 6.23 0.00 0.11 -2.47 119.26 124.55 1sms h ALA 106 Ca 0.20 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1sms h ALA 106 Cb 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1sms h ALA 106 CO -0.28 -0.07 0.34 1.96 0.00 0.00 0.00 179.25 181.20 1sms h GLN 107 N 0.51 0.56 -6.36 0.00 4.20 0.08 -3.40 115.11 110.70 1sms h GLN 107 Ca 0.20 -0.03 -0.57 0.00 0.06 0.00 0.00 58.65 58.31 1sms h GLN 107 Cb 0.07 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 1sms h GLN 107 CO -0.12 0.37 0.97 -1.17 -0.67 0.00 0.00 178.83 178.21 1sms s LEU 108 N -9.51 3.86 0.00 1.46 2.96 -0.38 -4.73 118.68 112.34 1sms s LEU 108 Ca -0.08 1.17 0.29 0.00 -0.22 0.00 0.00 54.13 55.28 1sms s LEU 108 Cb 0.18 -3.54 1.18 0.00 0.50 0.00 0.00 46.19 44.51 1sms s LEU 108 CO 0.74 -1.09 1.88 0.00 -1.32 0.00 0.00 176.35 176.56 1sms n GLN 109 N 7.34 0.06 -3.58 1.98 1.13 -0.98 -4.71 117.38 118.63 1sms n GLN 109 Ca 0.15 -0.01 -0.37 0.00 -1.94 0.00 0.00 57.00 54.83 1sms n GLN 109 Cb 0.47 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.25 1sms n GLN 109 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1sms s ASN 110 N -2.95 6.54 0.03 1.08 3.84 -1.26 -4.69 114.94 117.54 1sms s ASN 110 Ca 0.15 0.64 -0.11 0.00 0.21 0.00 0.00 52.86 53.75 1sms s ASN 110 Cb 0.19 -2.19 -0.05 0.00 -0.55 0.00 0.00 41.25 38.65 1sms s ASN 110 CO 0.54 0.21 1.17 1.55 -2.79 0.00 0.00 177.10 177.79 1sms h PRO 111 N 5.85 -0.28 -0.94 0.43 0.13 -1.82 -2.03 132.00 133.34 1sms h PRO 111 Ca -0.46 0.02 0.37 0.00 -0.87 0.00 0.00 66.00 65.06 1sms h PRO 111 Cb 1.19 0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 1sms h PRO 111 CO 0.69 -0.18 0.54 0.39 -0.23 0.00 0.00 178.00 179.20 1sms n GLU 112 N -3.31 -0.05 0.32 0.86 1.02 -1.26 0.36 120.64 118.58 1sms n GLU 112 Ca -0.03 1.16 -0.13 0.00 -0.02 0.00 0.00 57.16 58.14 1sms n GLU 112 Cb 0.14 -2.14 -0.06 0.00 -0.02 0.00 0.00 31.44 29.36 1sms n GLU 112 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1sms h GLY 113 N 0.00 -0.88 0.88 0.62 0.00 -1.76 -2.43 103.07 99.50 1sms h GLY 113 Ca 0.74 0.33 0.00 0.00 0.00 0.00 0.00 47.33 48.40 1sms h GLY 113 CO -0.60 -0.32 0.00 0.58 0.00 0.00 0.00 176.54 176.20 1sms n LYS 114 N -5.11 0.10 0.07 4.80 2.85 0.16 -0.12 118.16 120.91 1sms n LYS 114 Ca -0.10 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 56.95 1sms n LYS 114 Cb 0.33 -1.44 -0.15 0.00 -0.65 0.00 0.00 35.03 33.13 1sms n LYS 114 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1sms h SER 115 N 0.00 0.52 0.42 -5.58 0.02 -0.35 -2.57 113.55 106.01 1sms h SER 115 Ca 0.00 -0.75 -0.02 0.00 -0.84 0.00 0.00 61.79 60.18 1sms h SER 115 Cb 0.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1sms h SER 115 CO 0.00 1.63 -0.20 0.15 -1.14 0.00 0.00 176.83 177.27 1sms h PHE 116 N 0.09 -0.52 -1.01 3.45 3.04 -0.33 -2.91 116.94 118.76 1sms h PHE 116 Ca -0.30 -0.01 0.24 0.00 3.98 0.00 0.00 57.97 61.88 1sms h PHE 116 Cb 2.07 0.17 -0.10 0.00 2.56 0.00 0.00 35.95 40.65 1sms h PHE 116 CO 0.08 -0.19 0.63 1.88 -2.02 0.00 0.00 178.31 178.69 1sms h TYR 117 N -0.95 0.81 0.00 0.41 0.05 -1.63 0.96 116.97 116.62 1sms h TYR 117 Ca -0.06 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1sms h TYR 117 Cb 0.56 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 1sms h TYR 117 CO 0.02 0.11 -0.04 0.78 -1.05 0.00 0.00 178.16 177.98 1sms h GLY 118 N 0.52 0.00 0.00 3.88 0.00 -1.27 -2.35 103.07 103.84 1sms h GLY 118 Ca 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.88 1sms h GLY 118 CO -0.33 0.00 -0.20 -2.75 0.00 0.00 0.00 176.54 173.26 1sms h PHE 119 N 0.00 0.00 -0.37 5.60 3.57 0.11 -3.34 116.94 122.52 1sms h PHE 119 Ca -0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1sms h PHE 119 Cb 0.12 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.78 1sms h PHE 119 CO 0.00 0.94 -0.52 0.37 -2.23 0.00 0.00 178.31 176.87 1sms h GLN 120 N -1.00 -0.37 -0.48 1.11 4.15 -0.83 -2.04 115.11 115.66 1sms h GLN 120 Ca -0.05 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.49 1sms h GLN 120 Cb 0.93 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 28.61 1sms h GLN 120 CO -0.03 -0.24 -0.11 -0.84 -1.93 0.00 0.00 178.83 175.67 1sms h ILE 121 N -0.38 0.52 -0.80 2.39 3.07 -1.63 0.71 117.51 121.38 1sms h ILE 121 Ca 0.07 -0.00 0.19 0.00 1.55 0.00 0.00 64.86 66.66 1sms h ILE 121 Cb 0.56 0.52 -0.13 0.00 -0.27 0.00 0.00 36.82 37.50 1sms h ILE 121 CO -0.55 0.00 0.17 -0.03 -1.05 0.00 0.00 178.15 176.69 1sms h MET 122 N 0.01 0.21 -0.04 0.16 4.05 -1.51 -0.82 114.93 116.99 1sms h MET 122 Ca 0.23 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.63 1sms h MET 122 Cb 0.35 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1sms h MET 122 CO -0.49 0.14 -0.01 0.52 0.23 0.00 0.00 176.91 177.30 1sms h MET 123 N 0.22 0.07 -0.80 0.39 2.86 -0.37 -2.23 114.93 115.07 1sms h MET 123 Ca 0.47 -0.03 0.23 0.00 -2.06 0.00 0.00 59.70 58.32 1sms h MET 123 Cb 0.87 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 1sms h MET 123 CO -0.60 0.41 0.72 0.93 1.06 0.00 0.00 176.91 179.43 1sms h GLU 124 N -0.27 0.00 -0.03 1.72 4.39 0.13 2.03 114.58 122.55 1sms h GLU 124 Ca 0.01 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 1sms h GLU 124 Cb 0.38 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1sms h GLU 124 CO 0.00 0.00 -0.66 -0.97 -1.16 0.00 0.00 179.01 176.22 1sms h ASN 125 N 0.00 0.63 0.88 1.42 -1.24 -0.88 -2.79 115.58 113.60 1sms h ASN 125 Ca 0.38 -0.73 -0.05 0.00 0.71 0.00 0.00 56.30 56.61 1sms h ASN 125 Cb 1.82 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.67 1sms h ASN 125 CO -0.00 1.27 -0.24 0.40 -1.29 0.00 0.00 177.43 177.57 1sms h ILE 126 N 0.05 0.60 -0.03 2.57 2.04 0.35 -2.74 117.51 120.35 1sms h ILE 126 Ca -0.08 -1.14 -0.25 0.00 1.00 0.00 0.00 64.86 64.40 1sms h ILE 126 Cb 1.35 1.76 0.01 0.00 -0.74 0.00 0.00 36.82 39.21 1sms h ILE 126 CO 0.13 0.24 -0.96 1.88 0.00 0.00 0.00 178.15 179.43 1sms h TYR 127 N 0.00 0.94 -1.00 1.37 0.99 0.25 -3.15 116.97 116.37 1sms h TYR 127 Ca -0.00 -0.49 0.21 0.00 2.00 0.00 0.00 58.73 60.45 1sms h TYR 127 Cb 0.74 -0.11 -0.11 0.00 1.00 0.00 0.00 36.73 38.24 1sms h TYR 127 CO 0.00 1.32 0.60 0.77 -0.00 0.00 0.00 178.16 180.84 1sms h SER 128 N 0.38 0.73 0.35 3.88 0.02 -1.20 0.11 113.55 117.81 1sms h SER 128 Ca -0.10 0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1sms h SER 128 Cb 1.61 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.13 1sms h SER 128 CO 0.19 0.20 -0.59 -0.08 -1.14 0.00 0.00 176.83 175.40 1sms h GLU 129 N 0.68 0.25 -0.60 3.45 4.81 -1.53 -1.36 114.58 120.27 1sms h GLU 129 Ca 0.60 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.61 1sms h GLU 129 Cb 1.03 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1sms h GLU 129 CO -0.43 0.77 0.14 0.28 -0.73 0.00 0.00 179.01 179.04 1sms h VAL 130 N 0.19 1.24 0.06 0.32 2.07 -0.78 0.38 116.25 119.73 1sms h VAL 130 Ca -0.00 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1sms h VAL 130 Cb 1.09 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1sms h VAL 130 CO 0.09 0.33 -0.03 1.88 0.02 0.00 0.00 177.57 179.87 1sms h TYR 131 N 0.90 -0.07 0.00 1.57 0.05 -1.07 -1.49 116.97 116.85 1sms h TYR 131 Ca 0.19 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1sms h TYR 131 Cb 0.33 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1sms h TYR 131 CO 0.02 0.36 0.00 0.43 -1.05 0.00 0.00 178.16 177.92 1sms n SER 132 N -4.91 0.00 -0.11 3.88 7.64 -0.54 -1.07 113.62 118.50 1sms n SER 132 Ca -0.08 -0.61 -0.15 0.00 1.01 0.00 0.00 58.87 59.04 1sms n SER 132 Cb 0.24 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.30 1sms n SER 132 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1sms n MET 133 N -0.72 0.67 0.06 1.43 2.81 0.10 -4.01 117.12 117.46 1sms n MET 133 Ca 0.04 0.09 -0.09 0.00 -1.81 0.00 0.00 57.70 55.93 1sms n MET 133 Cb 0.02 -1.53 -0.13 0.00 -0.71 0.00 0.00 33.22 30.87 1sms n MET 133 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1sms h MET 134 N 0.00 0.05 -0.42 0.03 2.07 -0.12 -1.40 114.93 115.14 1sms h MET 134 Ca -0.56 -0.09 -0.07 0.00 -2.07 0.00 0.00 59.70 56.91 1sms h MET 134 Cb 2.04 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 31.79 1sms h MET 134 CO -0.04 0.99 -0.00 0.28 1.07 0.00 0.00 176.91 179.20 1sms h VAL 135 N 0.01 1.26 -0.21 -2.22 2.07 -1.38 -1.02 116.25 114.76 1sms h VAL 135 Ca -0.07 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.30 1sms h VAL 135 Cb 1.84 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1sms h VAL 135 CO 0.14 0.35 -0.35 -0.78 0.02 0.00 0.00 177.57 176.95 1sms h ASP 136 N 0.58 0.66 -0.70 0.57 3.58 -1.69 -1.42 116.42 118.00 1sms h ASP 136 Ca 0.12 -0.53 0.08 0.00 0.42 0.00 0.00 57.03 57.12 1sms h ASP 136 Cb 0.49 -0.19 -0.11 0.00 1.72 0.00 0.00 39.33 41.24 1sms h ASP 136 CO 0.02 1.07 -0.52 0.00 -2.88 0.00 0.00 179.24 176.93 1sms h ALA 137 N 0.61 -0.49 -0.34 -0.78 0.00 -0.99 -3.16 119.26 114.12 1sms h ALA 137 Ca 0.01 0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 1sms h ALA 137 Cb 0.94 1.15 -0.32 0.00 0.00 0.00 0.00 17.79 19.55 1sms h ALA 137 CO 0.08 -0.92 -0.89 1.97 0.00 0.00 0.00 179.25 179.49 1sms n PHE 138 N -5.35 1.14 -1.31 0.00 1.16 -0.41 -4.76 117.46 107.93 1sms n PHE 138 Ca 0.01 -1.67 0.00 0.00 -1.87 0.00 0.00 57.45 53.92 1sms n PHE 138 Cb 0.32 -0.25 0.00 0.00 -1.61 0.00 0.00 39.48 37.95 1sms n PHE 138 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 1sms n PHE 139 N -0.50 0.00 0.00 2.97 3.01 -0.55 -5.02 117.46 117.37 1sms n PHE 139 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.66 1sms n PHE 139 Cb 0.90 0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.39 1sms n PHE 139 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1sms n LYS 140 N 0.00 0.00 -3.61 -1.08 4.76 -1.15 -4.64 118.16 112.44 1sms n LYS 140 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1sms n LYS 140 Cb 0.22 -0.52 -0.07 0.00 -1.84 0.00 0.00 35.03 32.81 1sms n LYS 140 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1sms s ASP 141 N 0.00 -0.60 0.61 4.39 -1.08 -1.26 -4.86 116.67 113.86 1sms s ASP 141 Ca 0.00 0.87 0.28 0.00 -0.52 0.00 0.00 52.55 53.18 1sms s ASP 141 Cb 0.00 0.82 1.47 0.00 -1.46 0.00 0.00 42.92 43.76 1sms s ASP 141 CO 0.00 -0.43 1.88 -0.65 0.52 0.00 0.00 175.17 176.49 1sms h PRO 142 N 4.00 0.00 -0.06 4.34 0.11 -1.92 0.16 132.00 138.62 1sms h PRO 142 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1sms h PRO 142 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1sms h PRO 142 CO 0.27 0.00 -0.04 -0.22 -0.21 0.00 0.00 178.00 177.80 1sms h LYS 143 N 0.00 0.14 0.00 1.05 3.64 -1.95 -3.23 116.57 116.22 1sms h LYS 143 Ca 0.17 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1sms h LYS 143 Cb 1.10 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1sms h LYS 143 CO -0.00 0.54 0.00 -1.71 -2.27 0.00 0.00 179.45 176.01 1sms n ASN 144 N -4.76 0.00 -4.35 4.20 2.85 0.55 -4.57 115.26 109.18 1sms n ASN 144 Ca -0.07 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.05 1sms n ASN 144 Cb 0.27 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.15 1sms n ASN 144 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1sms s ILE 145 N -1.95 3.50 0.00 -1.44 1.01 -1.22 -5.02 121.20 116.08 1sms s ILE 145 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1sms s ILE 145 Cb 0.00 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1sms s ILE 145 CO 0.00 0.43 0.25 -2.65 0.00 0.00 0.00 174.94 172.97 1sms n PRO 146 N 4.58 0.00 0.08 2.79 -0.02 -1.26 -3.37 135.00 137.80 1sms n PRO 146 Ca -0.18 0.02 0.10 0.00 -2.02 0.00 0.00 63.50 61.43 1sms n PRO 146 Cb 0.51 -0.75 0.16 0.00 -0.02 0.00 0.00 33.50 33.40 1sms n PRO 146 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1sms n LEU 147 N -0.27 0.00 -3.49 2.45 7.94 -1.26 -3.66 117.00 118.71 1sms n LEU 147 Ca 0.00 0.52 -0.37 0.00 -1.11 0.00 0.00 56.01 55.05 1sms n LEU 147 Cb 0.00 -0.10 -0.03 0.00 0.53 0.00 0.00 43.42 43.82 1sms n LEU 147 CO 0.00 -0.52 2.37 0.33 -1.11 0.00 0.00 177.39 178.46 1sms n PHE 148 N -2.53 2.03 0.00 1.96 -0.00 -1.22 -3.01 117.46 114.71 1sms n PHE 148 Ca 0.09 -2.13 0.00 0.00 -0.00 0.00 0.00 57.45 55.40 1sms n PHE 148 Cb 1.05 -1.89 0.00 0.00 -0.00 0.00 0.00 39.48 38.64 1sms n PHE 148 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1sms n LYS 149 N 5.81 0.00 -1.51 -4.13 5.02 -1.24 -4.96 118.16 117.15 1sms n LYS 149 Ca 0.51 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.65 1sms n LYS 149 Cb 0.31 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.41 1sms n LYS 149 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1sms n GLU 150 N -0.27 2.88 0.06 1.97 0.00 -1.16 -4.75 120.64 119.37 1sms n GLU 150 Ca 0.00 -3.83 -0.13 0.00 0.00 0.00 0.00 57.16 53.20 1sms n GLU 150 Cb 0.00 -2.06 -0.08 0.00 0.00 0.00 0.00 31.44 29.30 1sms n GLU 150 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1sms h ILE 151 N 1.72 1.06 -0.39 3.84 2.04 -1.94 -1.61 117.51 122.23 1sms h ILE 151 Ca 0.26 -0.52 0.11 0.00 1.00 0.00 0.00 64.86 65.72 1sms h ILE 151 Cb 1.36 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 1sms h ILE 151 CO 0.55 0.13 0.67 0.00 0.00 0.00 0.00 178.15 179.50 1sms h ALA 152 N 0.54 2.09 -1.20 1.87 0.00 -1.94 0.39 119.26 121.02 1sms h ALA 152 Ca -0.01 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.21 1sms h ALA 152 Cb 0.30 0.03 -0.34 0.00 0.00 0.00 0.00 17.79 17.77 1sms h ALA 152 CO 0.02 -0.87 0.21 0.09 0.00 0.00 0.00 179.25 178.70 1sms n ASN 153 N -3.22 6.23 -4.18 0.00 3.02 -0.61 -4.67 115.26 111.84 1sms n ASN 153 Ca 0.07 -3.78 -0.33 0.00 -0.03 0.00 0.00 54.58 50.52 1sms n ASN 153 Cb 0.82 -0.77 -0.16 0.00 -0.61 0.00 0.00 39.78 39.05 1sms n ASN 153 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sms s LEU 154 N -3.81 2.14 0.30 3.41 1.43 0.13 -5.01 118.68 117.26 1sms s LEU 154 Ca 0.51 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1sms s LEU 154 Cb 0.43 -1.45 0.73 0.00 0.03 0.00 0.00 46.19 45.92 1sms s LEU 154 CO -0.28 0.08 1.58 -0.65 0.23 0.00 0.00 176.35 177.32 1sms h PRO 155 N 7.29 0.03 0.24 1.29 0.11 -1.92 -1.06 132.00 137.97 1sms h PRO 155 Ca -0.32 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1sms h PRO 155 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sms h PRO 155 CO 0.55 0.02 -0.11 0.93 -0.21 0.00 0.00 178.00 179.18 1sms h GLU 156 N 0.03 -0.31 -0.78 1.05 3.07 -1.94 0.11 114.58 115.82 1sms h GLU 156 Ca 0.58 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1sms h GLU 156 Cb 1.19 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 29.13 1sms h GLU 156 CO -0.88 0.02 0.48 -0.39 -1.40 0.00 0.00 179.01 176.85 1sms h VAL 157 N -0.67 1.22 -0.03 3.13 -1.51 -1.73 0.21 116.25 116.87 1sms h VAL 157 Ca -0.03 -0.46 -0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1sms h VAL 157 Cb 0.47 0.12 -0.00 0.00 -2.13 0.00 0.00 31.29 29.74 1sms h VAL 157 CO 0.05 0.22 0.02 0.50 -1.23 0.00 0.00 177.57 177.14 1sms h LYS 158 N 1.07 0.05 0.00 5.19 3.64 -1.24 -0.76 116.57 124.51 1sms h LYS 158 Ca 0.28 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1sms h LYS 158 Cb -0.05 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1sms h LYS 158 CO -0.05 0.11 -0.07 0.45 -2.27 0.00 0.00 179.45 177.61 1sms h HIS 159 N -0.02 0.00 0.28 1.91 3.86 -0.33 -2.71 115.15 118.13 1sms h HIS 159 Ca 0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1sms h HIS 159 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1sms h HIS 159 CO -0.05 0.07 -0.13 -0.22 0.86 0.00 0.00 177.93 178.45 1sms h LYS 160 N 0.00 -0.36 -0.94 2.45 3.64 0.20 -3.21 116.57 118.36 1sms h LYS 160 Ca -0.00 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.68 1sms h LYS 160 Cb 0.31 0.08 -0.15 0.00 -0.41 0.00 0.00 32.23 32.06 1sms h LYS 160 CO 0.01 -0.24 0.38 0.00 -2.27 0.00 0.00 179.45 177.33 1sms h ALA 161 N -1.29 1.60 -0.88 5.00 0.00 -1.05 1.29 119.26 123.92 1sms h ALA 161 Ca -0.04 0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1sms h ALA 161 Cb 0.28 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1sms h ALA 161 CO 0.06 -0.53 0.57 0.00 0.00 0.00 0.00 179.25 179.35 1sms h ALA 162 N 1.83 1.50 -0.99 0.00 0.00 -1.59 0.12 119.26 120.14 1sms h ALA 162 Ca 0.64 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.53 1sms h ALA 162 Cb 1.40 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1sms h ALA 162 CO -0.65 0.39 0.65 0.35 0.00 0.00 0.00 179.25 179.99 1sms h PHE 163 N 1.04 1.25 0.03 0.00 3.04 0.17 0.26 116.94 122.72 1sms h PHE 163 Ca 0.37 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.34 1sms h PHE 163 Cb 0.13 -0.42 0.00 0.00 2.56 0.00 0.00 35.95 38.21 1sms h PHE 163 CO -0.00 0.79 -0.02 0.82 -2.02 0.00 0.00 178.31 177.88 1sms h ILE 164 N 1.34 1.38 0.00 1.41 5.03 -1.07 -1.17 117.51 124.44 1sms h ILE 164 Ca 0.36 -1.47 -0.00 0.00 -0.12 0.00 0.00 64.86 63.63 1sms h ILE 164 Cb -0.15 2.34 -0.00 0.00 -3.03 0.00 0.00 36.82 35.98 1sms h ILE 164 CO -0.08 0.36 -0.01 -0.08 -0.68 0.00 0.00 178.15 177.67 1sms h GLU 165 N -0.71 0.00 0.17 2.37 4.57 -0.86 0.59 114.58 120.71 1sms h GLU 165 Ca -0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.83 1sms h GLU 165 Cb 0.63 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1sms h GLU 165 CO 0.01 0.01 -1.71 -0.09 -1.18 0.00 0.00 179.01 176.05 1sms h ARG 166 N 0.00 0.37 0.00 1.92 2.43 -0.43 -3.37 114.38 115.30 1sms h ARG 166 Ca -0.00 -0.63 -0.20 0.00 -0.81 0.00 0.00 59.98 58.34 1sms h ARG 166 Cb 0.08 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 1sms h ARG 166 CO 0.00 1.28 -1.77 0.91 -1.51 0.00 0.00 179.97 178.88 1sms n TRP 167 N -3.56 0.00 0.00 2.20 7.02 -0.45 -4.90 117.44 117.76 1sms n TRP 167 Ca -0.23 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.25 1sms n TRP 167 Cb 1.07 -0.55 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 1sms n TRP 167 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1sms n ILE 168 N -2.43 0.00 -1.52 -0.99 5.41 0.20 -4.15 119.36 115.88 1sms n ILE 168 Ca -0.18 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.43 1sms n ILE 168 Cb 0.86 -0.18 -0.10 0.00 -0.71 0.00 0.00 39.64 39.51 1sms n ILE 168 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1sms n SER 169 N 0.00 0.97 -3.63 4.38 7.64 -1.06 -4.67 113.62 117.26 1sms n SER 169 Ca 0.00 -1.69 -0.05 0.00 1.01 0.00 0.00 58.87 58.14 1sms n SER 169 Cb 0.00 -1.47 -0.06 0.00 -1.01 0.00 0.00 64.21 61.66 1sms n SER 169 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1sms s ASN 170 N 8.03 -0.84 0.22 6.43 3.84 -1.26 -4.31 114.94 127.05 1sms s ASN 170 Ca 0.87 1.30 -0.09 0.00 0.21 0.00 0.00 52.86 55.15 1sms s ASN 170 Cb -0.18 1.47 0.18 0.00 -0.55 0.00 0.00 41.25 42.17 1sms s ASN 170 CO 0.17 -0.20 1.86 -0.78 -2.79 0.00 0.00 177.10 175.36 1sms h ASP 171 N 6.90 0.99 -0.43 -4.21 1.82 -1.91 -3.22 116.42 116.35 1sms h ASP 171 Ca -0.27 -0.07 -0.70 0.00 -0.39 0.00 0.00 57.03 55.60 1sms h ASP 171 Cb 1.20 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.92 1sms h ASP 171 CO 0.16 0.77 3.26 -0.67 -1.61 0.00 0.00 179.24 181.15 1sms n ASP 172 N -4.45 8.02 -4.28 2.28 2.03 -1.26 -4.90 116.55 114.00 1sms n ASP 172 Ca 0.08 -2.80 -0.15 0.00 0.52 0.00 0.00 54.79 52.44 1sms n ASP 172 Cb 0.06 -1.50 -0.10 0.00 -0.72 0.00 0.00 41.12 38.86 1sms n ASP 172 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1sms s SER 173 N 1.61 1.49 -0.05 1.67 1.04 -1.22 -5.07 113.70 113.16 1sms s SER 173 Ca 0.62 -1.19 0.04 0.00 0.48 0.00 0.00 55.95 55.90 1sms s SER 173 Cb 0.17 0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 1sms s SER 173 CO -0.07 -0.54 -0.19 -0.76 0.98 0.00 0.00 173.24 172.67 1sms s LEU 174 N -3.23 1.93 0.08 2.42 1.43 -1.26 -5.02 118.68 115.02 1sms s LEU 174 Ca 0.26 -0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 1sms s LEU 174 Cb 0.06 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1sms s LEU 174 CO 0.06 0.15 1.11 0.00 0.23 0.00 0.00 176.35 177.91 1sms n TYR 175 N 3.23 -0.22 -0.33 0.29 9.36 -1.26 0.88 117.16 129.11 1sms n TYR 175 Ca -0.19 0.63 0.20 0.00 3.32 0.00 0.00 57.90 61.86 1sms n TYR 175 Cb 0.53 -0.51 0.42 0.00 -0.63 0.00 0.00 39.34 39.14 1sms n TYR 175 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sms h ALA 176 N -0.09 1.76 0.56 2.98 0.00 -1.97 0.61 119.26 123.12 1sms h ALA 176 Ca 0.08 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1sms h ALA 176 Cb 0.21 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1sms h ALA 176 CO -0.47 -0.50 -0.27 0.93 0.00 0.00 0.00 179.25 178.94 1sms h GLU 177 N 0.34 -0.72 -0.74 0.00 5.08 0.10 -1.52 114.58 117.11 1sms h GLU 177 Ca 0.68 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 59.22 1sms h GLU 177 Cb 1.47 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.83 1sms h GLU 177 CO -0.60 -0.42 0.49 0.00 -1.00 0.00 0.00 179.01 177.48 1sms h ARG 178 N -1.08 0.46 -0.53 2.33 3.08 0.60 0.13 114.38 119.36 1sms h ARG 178 Ca -0.08 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1sms h ARG 178 Cb 0.64 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1sms h ARG 178 CO 0.13 0.30 0.19 1.25 -1.07 0.00 0.00 179.97 180.77 1sms h LEU 179 N 0.47 0.76 0.79 3.04 5.85 0.26 -0.33 115.31 126.15 1sms h LEU 179 Ca 0.36 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1sms h LEU 179 Cb 0.73 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1sms h LEU 179 CO -0.12 0.75 -0.48 0.58 -0.34 0.00 0.00 178.44 178.83 1sms h VAL 180 N 0.73 0.00 -0.37 1.05 2.07 0.31 -1.22 116.25 118.82 1sms h VAL 180 Ca 0.17 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.77 1sms h VAL 180 Cb 0.24 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.93 1sms h VAL 180 CO -0.01 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 177.38 1sms h ALA 181 N -1.21 0.06 -0.94 1.67 0.00 -1.35 0.48 119.26 117.97 1sms h ALA 181 Ca -0.11 0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1sms h ALA 181 Cb 0.95 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 1sms h ALA 181 CO 0.11 -0.58 0.53 0.35 0.00 0.00 0.00 179.25 179.66 1sms h PHE 182 N -0.14 0.93 -0.60 0.00 -0.00 -0.96 1.75 116.94 117.92 1sms h PHE 182 Ca 0.18 0.03 -0.09 0.00 -0.00 0.00 0.00 57.97 58.10 1sms h PHE 182 Cb 0.43 -0.27 -0.02 0.00 -0.00 0.00 0.00 35.95 36.08 1sms h PHE 182 CO -0.42 0.20 0.03 0.00 -0.00 0.00 0.00 178.31 178.12 1sms h ALA 183 N 1.61 0.92 0.20 2.41 0.00 0.82 -1.37 119.26 123.85 1sms h ALA 183 Ca 0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1sms h ALA 183 Cb 0.81 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1sms h ALA 183 CO -0.38 0.65 -0.09 0.00 0.00 0.00 0.00 179.25 179.42 1sms h ALA 184 N 1.08 -0.26 -0.81 0.00 0.00 0.59 0.90 119.26 120.75 1sms h ALA 184 Ca 0.18 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1sms h ALA 184 Cb 0.50 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1sms h ALA 184 CO 0.02 -0.61 0.53 -0.22 0.00 0.00 0.00 179.25 178.97 1sms h LYS 185 N -0.33 0.60 0.11 0.00 3.11 0.23 0.42 116.57 120.70 1sms h LYS 185 Ca -0.03 -0.04 -0.23 0.00 -2.81 0.00 0.00 60.65 57.55 1sms h LYS 185 Cb 0.26 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1sms h LYS 185 CO 0.04 0.40 -1.14 1.49 -2.81 0.00 0.00 179.45 177.43 1sms h GLU 186 N 0.62 0.23 0.00 1.90 4.57 -1.06 -3.32 114.58 117.52 1sms h GLU 186 Ca 0.40 -0.39 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1sms h GLU 186 Cb 0.67 0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1sms h GLU 186 CO -0.16 1.19 -0.16 0.78 -1.18 0.00 0.00 179.01 179.49 1sms h GLY 187 N -0.20 0.00 0.08 1.92 0.00 -0.61 -3.42 103.07 100.83 1sms h GLY 187 Ca -0.24 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1sms h GLY 187 CO 0.07 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.35 1sms h ILE 188 N -1.00 0.00 -1.89 2.60 2.04 -0.32 -3.40 117.51 115.54 1sms h ILE 188 Ca -0.04 -0.65 -0.65 0.00 1.00 0.00 0.00 64.86 64.52 1sms h ILE 188 Cb 0.99 0.00 0.06 0.00 -0.74 0.00 0.00 36.82 37.13 1sms h ILE 188 CO -0.03 0.00 0.53 0.49 0.00 0.00 0.00 178.15 179.14 1sms n PHE 189 N -4.09 1.70 -1.01 1.37 3.72 -1.09 -0.62 117.46 117.45 1sms n PHE 189 Ca -0.01 0.54 -0.00 0.00 -0.05 0.00 0.00 57.45 57.93 1sms n PHE 189 Cb 0.04 -2.38 -0.00 0.00 -0.94 0.00 0.00 39.48 36.20 1sms n PHE 189 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1sms n GLN 190 N 2.65 -0.04 0.28 -1.08 6.02 -1.26 -4.76 117.38 119.19 1sms n GLN 190 Ca 0.17 0.22 0.15 0.00 -0.01 0.00 0.00 57.00 57.53 1sms n GLN 190 Cb 0.22 -3.45 0.81 0.00 1.02 0.00 0.00 30.24 28.85 1sms n GLN 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sms h ALA 191 N 0.00 1.24 0.30 -1.58 0.00 -1.07 -2.95 119.26 115.20 1sms h ALA 191 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1sms h ALA 191 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sms h ALA 191 CO 0.01 0.10 -0.14 0.78 0.00 0.00 0.00 179.25 179.99 1sms h GLY 192 N 0.76 -0.42 -0.46 0.00 0.00 -1.91 -2.79 103.07 98.26 1sms h GLY 192 Ca -0.00 0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.57 1sms h GLY 192 CO 0.01 -0.15 -0.14 0.70 0.00 0.00 0.00 176.54 176.95 1sms n ASN 193 N -4.42 -0.22 0.28 0.19 4.13 -1.12 0.98 115.26 115.08 1sms n ASN 193 Ca -0.05 0.79 -0.14 0.00 1.68 0.00 0.00 54.58 56.86 1sms n ASN 193 Cb 0.16 -0.21 -0.07 0.00 -1.54 0.00 0.00 39.78 38.11 1sms n ASN 193 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 1sms h TYR 194 N 0.00 -0.68 -0.88 3.10 0.99 -1.65 -0.38 116.97 117.46 1sms h TYR 194 Ca 0.19 -0.02 0.23 0.00 2.00 0.00 0.00 58.73 61.13 1sms h TYR 194 Cb 0.31 0.23 -0.15 0.00 1.00 0.00 0.00 36.73 38.11 1sms h TYR 194 CO -0.37 -0.36 0.09 0.00 -0.00 0.00 0.00 178.16 177.52 1sms h ALA 195 N -0.81 1.08 -3.00 3.88 0.00 0.92 0.66 119.26 122.00 1sms h ALA 195 Ca -0.08 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sms h ALA 195 Cb 0.63 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1sms h ALA 195 CO 0.12 -0.49 0.00 0.43 0.00 0.00 0.00 179.25 179.31 1sms n SER 196 N -5.36 0.00 -0.44 0.00 7.64 0.25 -1.64 113.62 114.08 1sms n SER 196 Ca 0.20 0.45 0.36 0.00 1.01 0.00 0.00 58.87 60.89 1sms n SER 196 Cb 0.65 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 64.50 1sms n SER 196 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1sms h MET 197 N 0.00 0.12 0.00 1.43 2.86 -0.69 0.95 114.93 119.60 1sms h MET 197 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1sms h MET 197 Cb 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1sms h MET 197 CO 0.00 0.08 0.00 1.19 1.06 0.00 0.00 176.91 179.24 1sms n PHE 198 N -4.52 0.00 -0.20 -0.22 0.99 0.23 -1.77 117.46 111.96 1sms n PHE 198 Ca 0.34 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.74 1sms n PHE 198 Cb 1.37 -0.30 -0.05 0.00 -1.00 0.00 0.00 39.48 39.50 1sms n PHE 198 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.76 178.63 1sms n TRP 199 N -1.51 -0.21 0.00 1.38 -0.00 0.17 -0.65 117.44 116.62 1sms n TRP 199 Ca 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 57.50 58.10 1sms n TRP 199 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 31.31 30.82 1sms n TRP 199 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1sms n LEU 200 N -4.21 0.00 -0.17 5.87 7.94 -0.25 -2.43 117.00 123.75 1sms n LEU 200 Ca 0.01 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.06 1sms n LEU 200 Cb 0.13 0.00 0.26 0.00 0.53 0.00 0.00 43.42 44.33 1sms n LEU 200 CO -0.08 0.00 0.46 0.35 -1.11 0.00 0.00 177.39 177.01 1sms n THR 201 N 0.00 -0.12 -1.22 1.96 -2.24 -0.73 -4.60 114.28 107.33 1sms n THR 201 Ca 0.00 0.74 -0.51 0.00 -2.27 0.00 0.00 64.05 62.01 1sms n THR 201 Cb 0.00 -1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 66.94 1sms n THR 201 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1sms n ASP 202 N -3.58 0.81 0.00 3.42 -0.08 0.18 -1.96 116.55 115.34 1sms n ASP 202 Ca 0.16 0.79 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 1sms n ASP 202 Cb 0.58 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.35 1sms n ASP 202 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1sms n LYS 203 N 4.06 0.00 -2.44 -0.67 5.02 -1.26 -4.49 118.16 118.38 1sms n LYS 203 Ca 0.31 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.44 1sms n LYS 203 Cb -0.04 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.00 1sms n LYS 203 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sms n LYS 204 N 0.00 2.66 -4.35 1.97 5.02 -1.23 -5.06 118.16 117.17 1sms n LYS 204 Ca 0.00 -3.90 -0.18 0.00 -2.02 0.00 0.00 58.31 52.21 1sms n LYS 204 Cb 0.00 -1.92 -0.14 0.00 -0.02 0.00 0.00 35.03 32.94 1sms n LYS 204 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sms s ILE 205 N -4.32 0.72 0.00 -0.18 1.01 -0.83 -5.00 121.20 112.61 1sms s ILE 205 Ca 0.40 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1sms s ILE 205 Cb 0.39 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 42.24 1sms s ILE 205 CO -0.02 0.15 0.00 0.23 0.00 0.00 0.00 174.94 175.30 1sms n MET 206 N 2.72 0.00 0.05 2.79 2.81 -1.26 -4.45 117.12 119.78 1sms n MET 206 Ca -0.14 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.65 1sms n MET 206 Cb 0.57 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.02 1sms n MET 206 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1sms h PRO 207 N 0.58 -0.40 -0.83 0.03 0.11 -1.91 -2.05 132.00 127.53 1sms h PRO 207 Ca 0.00 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.25 1sms h PRO 207 Cb 0.00 0.09 -0.13 0.00 0.11 0.00 0.00 31.00 31.07 1sms h PRO 207 CO 0.00 -0.27 -0.44 0.78 -0.21 0.00 0.00 178.00 177.86 1sms h GLY 208 N -0.42 -0.30 0.35 -0.55 0.00 -1.90 0.54 103.07 100.78 1sms h GLY 208 Ca 0.00 0.59 0.12 0.00 0.00 0.00 0.00 47.33 48.04 1sms h GLY 208 CO -0.20 -0.14 0.43 -2.00 0.00 0.00 0.00 176.54 174.64 1sms h LEU 209 N -0.09 0.55 -1.42 3.11 5.85 -1.87 0.54 115.31 121.99 1sms h LEU 209 Ca 0.25 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.05 1sms h LEU 209 Cb 0.55 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1sms h LEU 209 CO -0.86 0.27 0.39 0.00 -0.34 0.00 0.00 178.44 177.91 1sms h ALA 210 N 1.51 1.57 0.18 1.25 0.00 0.72 -1.19 119.26 123.31 1sms h ALA 210 Ca 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1sms h ALA 210 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sms h ALA 210 CO -0.32 0.40 -0.09 1.98 0.00 0.00 0.00 179.25 181.22 1sms h MET 211 N 0.81 -0.24 -0.83 0.00 1.85 0.96 -0.86 114.93 116.62 1sms h MET 211 Ca 0.22 0.02 0.15 0.00 -0.61 0.00 0.00 59.70 59.48 1sms h MET 211 Cb -0.09 0.05 -0.15 0.00 0.43 0.00 0.00 31.60 31.84 1sms h MET 211 CO -0.05 -0.16 -0.24 0.00 -0.40 0.00 0.00 176.91 176.06 1sms n ALA 212 N -2.25 0.10 -0.17 0.39 0.00 -0.27 0.11 120.51 118.42 1sms n ALA 212 Ca -0.03 0.88 -0.11 0.00 0.00 0.00 0.00 53.44 54.19 1sms n ALA 212 Cb 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1sms n ALA 212 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1sms h ASN 213 N 0.00 0.97 -0.15 0.00 -1.24 -1.29 0.31 115.58 114.18 1sms h ASN 213 Ca 0.36 -0.36 0.02 0.00 0.71 0.00 0.00 56.30 57.04 1sms h ASN 213 Cb 0.57 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 1sms h ASN 213 CO -0.84 1.10 0.02 -0.09 -1.29 0.00 0.00 177.43 176.33 1sms h ARG 214 N 0.83 0.07 0.00 6.67 2.43 0.23 -1.73 114.38 122.88 1sms h ARG 214 Ca 0.13 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1sms h ARG 214 Cb 0.67 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1sms h ARG 214 CO 0.05 0.05 0.00 0.09 -1.51 0.00 0.00 179.97 178.65 1sms n ASN 215 N -5.10 0.00 -0.05 -3.80 3.02 0.11 -2.12 115.26 107.33 1sms n ASN 215 Ca -0.04 0.20 -0.01 0.00 -0.03 0.00 0.00 54.58 54.70 1sms n ASN 215 Cb 0.08 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 1sms n ASN 215 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1sms n ILE 216 N -0.27 -0.07 -0.26 2.41 5.41 0.08 0.41 119.36 127.07 1sms n ILE 216 Ca 0.00 0.28 0.01 0.00 1.00 0.00 0.00 62.75 64.04 1sms n ILE 216 Cb 0.00 -0.35 0.14 0.00 -0.71 0.00 0.00 39.64 38.72 1sms n ILE 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sms n ARG 218 N -4.80 0.00 -0.26 0.00 0.63 1.38 -2.18 116.66 111.43 1sms n ARG 218 Ca 0.11 0.18 -0.04 0.00 -0.92 0.00 0.00 57.85 57.18 1sms n ARG 218 Cb 0.25 -1.07 -0.03 0.00 0.45 0.00 0.00 32.46 32.07 1sms n ARG 218 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1sms n ASP 219 N -0.84 -0.57 0.29 6.15 8.00 -0.89 0.35 116.55 129.05 1sms n ASP 219 Ca 0.00 1.13 0.16 0.00 0.71 0.00 0.00 54.79 56.79 1sms n ASP 219 Cb 0.00 -0.19 0.84 0.00 -0.02 0.00 0.00 41.12 41.74 1sms n ASP 219 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1sms h ARG 220 N 0.00 0.00 0.04 -1.24 3.08 -1.17 0.50 114.38 115.59 1sms h ARG 220 Ca 0.15 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.93 1sms h ARG 220 Cb 0.31 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.39 1sms h ARG 220 CO -0.62 0.00 -1.10 0.78 -1.07 0.00 0.00 179.97 177.96 1sms h GLY 221 N 0.00 0.74 0.75 0.04 0.00 0.65 -2.44 103.07 102.81 1sms h GLY 221 Ca 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 47.33 45.96 1sms h GLY 221 CO 0.00 1.20 0.01 0.00 0.00 0.00 0.00 176.54 177.75 1sms h ALA 222 N 0.40 0.08 -0.13 3.60 0.00 0.17 -2.52 119.26 120.85 1sms h ALA 222 Ca -0.14 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1sms h ALA 222 Cb 1.76 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1sms h ALA 222 CO 0.21 -0.26 -0.21 1.88 0.00 0.00 0.00 179.25 180.87 1sms h TYR 223 N -0.16 -0.63 -0.92 0.00 0.99 -1.04 0.94 116.97 116.14 1sms h TYR 223 Ca 0.02 0.03 0.26 0.00 2.00 0.00 0.00 58.73 61.04 1sms h TYR 223 Cb 0.30 0.29 -0.16 0.00 1.00 0.00 0.00 36.73 38.17 1sms h TYR 223 CO 0.02 -0.19 0.21 1.15 -0.00 0.00 0.00 178.16 179.35 1sms h THR 224 N -0.17 0.21 -0.71 -2.88 2.02 -1.44 0.79 112.91 110.73 1sms h THR 224 Ca 0.02 -0.05 0.13 0.00 0.77 0.00 0.00 66.41 67.29 1sms h THR 224 Cb 0.23 0.06 -0.09 0.00 -1.74 0.00 0.00 68.15 66.61 1sms h THR 224 CO -0.21 0.02 0.27 0.44 0.37 0.00 0.00 175.52 176.42 1sms h ASP 225 N 0.13 0.25 -0.74 4.18 3.32 -0.42 -0.51 116.42 122.63 1sms h ASP 225 Ca 0.59 0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.81 1sms h ASP 225 Cb 1.26 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.83 1sms h ASP 225 CO -0.74 0.11 0.43 0.15 -1.72 0.00 0.00 179.24 177.47 1sms h PHE 226 N 0.43 0.79 0.00 4.55 3.57 0.21 0.54 116.94 127.02 1sms h PHE 226 Ca 0.38 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 1sms h PHE 226 Cb 0.56 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1sms h PHE 226 CO -0.17 0.38 -0.00 0.77 -2.23 0.00 0.00 178.31 177.05 1sms h SER 227 N 0.78 0.00 0.00 0.41 0.02 -0.87 0.18 113.55 114.07 1sms h SER 227 Ca 0.33 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1sms h SER 227 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1sms h SER 227 CO -0.19 0.00 -0.27 0.00 -1.14 0.00 0.00 176.83 175.24 1sms h LEU 229 N -1.00 0.00 0.06 0.00 5.85 0.64 0.81 115.31 121.67 1sms h LEU 229 Ca -0.07 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.42 1sms h LEU 229 Cb 0.87 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1sms h LEU 229 CO -0.04 0.00 -1.23 -0.07 -0.34 0.00 0.00 178.44 176.76 1sms h LEU 230 N 0.00 0.18 -1.00 2.25 3.38 -0.73 -3.36 115.31 116.03 1sms h LEU 230 Ca 0.19 -0.74 0.20 0.00 0.09 0.00 0.00 57.88 57.62 1sms h LEU 230 Cb 1.28 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 1sms h LEU 230 CO -0.00 1.52 0.61 0.15 0.09 0.00 0.00 178.44 180.80 1sms h PHE 231 N -0.63 1.06 0.00 1.13 3.57 0.13 0.16 116.94 122.36 1sms h PHE 231 Ca -0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1sms h PHE 231 Cb 1.51 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1sms h PHE 231 CO 0.13 0.19 0.00 0.00 -2.23 0.00 0.00 178.31 176.40 1sms h ALA 232 N 1.67 1.00 0.00 2.41 0.00 -0.47 -2.97 119.26 120.90 1sms h ALA 232 Ca 0.59 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.37 1sms h ALA 232 Cb 0.97 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1sms h ALA 232 CO -0.41 0.00 -0.85 0.45 0.00 0.00 0.00 179.25 178.45 1sms h HIS 233 N 0.00 0.00 -3.89 0.00 3.86 -0.82 -3.47 115.15 110.83 1sms h HIS 233 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 1sms h HIS 233 Cb 0.30 0.00 0.06 0.00 1.06 0.00 0.00 27.41 28.83 1sms h HIS 233 CO 0.00 0.58 0.61 -0.51 0.86 0.00 0.00 177.93 179.47 1sms s LEU 234 N -6.28 4.38 0.00 2.43 1.02 -1.12 -4.99 118.68 114.12 1sms s LEU 234 Ca 0.01 2.61 0.00 0.00 0.02 0.00 0.00 54.13 56.78 1sms s LEU 234 Cb 0.08 -3.73 0.00 0.00 0.02 0.00 0.00 46.19 42.57 1sms s LEU 234 CO 0.77 -0.57 0.46 0.54 0.02 0.00 0.00 176.35 177.57 1sms n ARG 235 N 0.65 0.00 -2.42 1.70 1.74 -1.26 -4.63 116.66 112.44 1sms n ARG 235 Ca 0.01 0.49 -0.41 0.00 -0.77 0.00 0.00 57.85 57.17 1sms n ARG 235 Cb 0.43 -1.22 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 1sms n ARG 235 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sms s THR 236 N -1.88 3.68 0.57 0.55 2.01 -1.26 -5.02 115.64 114.30 1sms s THR 236 Ca 0.00 0.45 -0.09 0.00 0.31 0.00 0.00 61.69 62.36 1sms s THR 236 Cb 0.00 -4.62 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 1sms s THR 236 CO 0.00 -1.51 0.95 -0.54 -0.69 0.00 0.00 174.62 172.83 1sms s LYS 237 N 5.89 3.59 0.09 4.92 3.01 -1.26 -4.95 119.74 131.03 1sms s LYS 237 Ca 0.45 0.58 -0.30 0.00 -1.01 0.00 0.00 55.97 55.69 1sms s LYS 237 Cb -0.09 -2.17 -0.06 0.00 -1.01 0.00 0.00 37.83 34.50 1sms s LYS 237 CO 0.19 -0.45 1.04 -1.25 0.51 0.00 0.00 175.35 175.39 1sms s PRO 238 N -5.01 4.59 -0.10 -1.68 0.04 -1.26 -4.94 135.00 126.65 1sms s PRO 238 Ca 0.53 1.57 -0.41 0.00 0.04 0.00 0.00 61.00 62.73 1sms s PRO 238 Cb -0.11 -3.36 -0.19 0.00 0.04 0.00 0.00 34.50 30.88 1sms s PRO 238 CO 0.51 0.03 1.29 -1.71 0.04 0.00 0.00 177.00 177.16 1sms n ASN 239 N 3.13 0.82 -0.53 6.66 4.05 -1.26 -4.62 115.26 123.51 1sms n ASN 239 Ca 0.04 1.15 0.43 0.00 0.45 0.00 0.00 54.58 56.65 1sms n ASN 239 Cb 0.48 -0.99 0.73 0.00 1.23 0.00 0.00 39.78 41.23 1sms n ASN 239 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1sms h PRO 240 N 4.11 0.04 0.15 1.20 0.11 -1.91 0.13 132.00 135.83 1sms h PRO 240 Ca -0.49 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1sms h PRO 240 Cb 1.39 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.45 1sms h PRO 240 CO 0.77 0.03 -0.35 0.87 -0.21 0.00 0.00 178.00 179.11 1sms h LYS 241 N 0.04 -0.57 -0.95 1.05 6.56 -1.99 -0.60 116.57 120.10 1sms h LYS 241 Ca 0.84 0.04 0.05 0.00 -1.06 0.00 0.00 60.65 60.51 1sms h LYS 241 Cb 3.00 0.13 -0.06 0.00 -0.57 0.00 0.00 32.23 34.73 1sms h LYS 241 CO -0.22 -0.38 0.61 0.82 -2.06 0.00 0.00 179.45 178.23 1sms h ILE 242 N -0.59 1.12 -0.92 1.86 2.04 -1.06 -0.29 117.51 119.66 1sms h ILE 242 Ca 0.02 -0.40 0.10 0.00 1.00 0.00 0.00 64.86 65.59 1sms h ILE 242 Cb 0.61 -0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.48 1sms h ILE 242 CO -0.19 0.21 0.56 0.40 0.00 0.00 0.00 178.15 179.13 1sms h ILE 243 N 1.16 0.93 0.00 -0.67 2.04 -1.00 -2.94 117.51 117.02 1sms h ILE 243 Ca 0.40 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1sms h ILE 243 Cb 0.08 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1sms h ILE 243 CO -0.15 0.17 0.00 1.21 0.00 0.00 0.00 178.15 179.38 1sms n GLU 244 N -4.67 0.00 -0.20 2.37 2.13 -0.16 -3.33 120.64 116.79 1sms n GLU 244 Ca 0.16 0.47 0.11 0.00 0.66 0.00 0.00 57.16 58.56 1sms n GLU 244 Cb 0.30 -1.35 0.21 0.00 0.27 0.00 0.00 31.44 30.87 1sms n GLU 244 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1sms n LYS 245 N -1.91 -0.04 0.09 5.31 5.02 -1.00 0.16 118.16 125.80 1sms n LYS 245 Ca 0.00 0.85 -0.07 0.00 -2.02 0.00 0.00 58.31 57.07 1sms n LYS 245 Cb 0.00 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 1sms n LYS 245 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1sms h ILE 246 N 0.00 0.00 -0.80 -0.18 2.04 -1.53 1.02 117.51 118.05 1sms h ILE 246 Ca 0.39 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.28 1sms h ILE 246 Cb 0.87 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1sms h ILE 246 CO -0.52 0.00 0.53 0.40 0.00 0.00 0.00 178.15 178.56 1sms h ILE 247 N -0.36 1.14 0.30 -0.67 5.03 -0.28 -0.98 117.51 121.68 1sms h ILE 247 Ca -0.02 -0.34 0.00 0.00 -0.12 0.00 0.00 64.86 64.38 1sms h ILE 247 Cb 0.33 0.05 -0.02 0.00 -3.03 0.00 0.00 36.82 34.14 1sms h ILE 247 CO -0.05 0.18 -0.31 0.74 -0.68 0.00 0.00 178.15 178.04 1sms h THR 248 N 1.00 0.35 -0.50 -0.27 2.02 -0.12 0.11 112.91 115.50 1sms h THR 248 Ca 0.31 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.58 1sms h THR 248 Cb 0.02 0.35 -0.07 0.00 -1.74 0.00 0.00 68.15 66.71 1sms h THR 248 CO -0.09 0.00 0.11 -0.33 0.37 0.00 0.00 175.52 175.58 1sms h GLU 249 N -0.64 0.25 -0.72 6.66 5.08 0.18 -1.90 114.58 123.48 1sms h GLU 249 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1sms h GLU 249 Cb 0.59 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1sms h GLU 249 CO -0.07 0.16 0.47 0.00 -1.00 0.00 0.00 179.01 178.57 1sms h ALA 250 N 1.39 0.92 0.14 3.43 0.00 -0.84 -1.65 119.26 122.65 1sms h ALA 250 Ca 0.25 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1sms h ALA 250 Cb 0.33 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1sms h ALA 250 CO -0.32 0.36 -0.53 0.28 0.00 0.00 0.00 179.25 179.04 1sms h VAL 251 N 0.98 0.00 -0.16 0.00 2.07 0.02 0.27 116.25 119.42 1sms h VAL 251 Ca 0.26 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.81 1sms h VAL 251 Cb -0.09 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.65 1sms h VAL 251 CO -0.05 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.17 1sms h GLU 252 N -0.77 0.01 -0.60 1.57 3.07 -1.30 -2.21 114.58 114.35 1sms h GLU 252 Ca -0.01 -0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.93 1sms h GLU 252 Cb 0.76 -0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.61 1sms h GLU 252 CO -0.27 0.01 0.25 0.82 -1.40 0.00 0.00 179.01 178.41 1sms h ILE 253 N 0.01 0.82 0.00 3.13 2.04 -1.12 -2.75 117.51 119.64 1sms h ILE 253 Ca 0.08 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1sms h ILE 253 Cb 0.11 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 1sms h ILE 253 CO -0.16 0.08 -0.51 -0.08 0.00 0.00 0.00 178.15 177.49 1sms h GLU 254 N 0.46 -0.63 -0.42 2.37 4.57 -0.34 -3.06 114.58 117.52 1sms h GLU 254 Ca 0.30 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.56 1sms h GLU 254 Cb 0.32 0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 1sms h GLU 254 CO -0.27 -0.42 -0.44 0.87 -1.18 0.00 0.00 179.01 177.58 1sms h LYS 255 N -0.65 -0.22 -0.22 1.92 1.57 -1.16 -2.67 116.57 115.13 1sms h LYS 255 Ca 0.02 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1sms h LYS 255 Cb 0.71 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 1sms h LYS 255 CO -0.35 -0.15 0.07 0.39 -0.57 0.00 0.00 179.45 178.84 1sms n GLU 256 N -4.75 -0.02 -0.30 3.15 1.02 -1.15 0.75 120.64 119.35 1sms n GLU 256 Ca -0.02 0.31 0.10 0.00 -0.02 0.00 0.00 57.16 57.53 1sms n GLU 256 Cb 0.25 -0.54 0.32 0.00 -0.02 0.00 0.00 31.44 31.45 1sms n GLU 256 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1sms h TYR 257 N 0.00 0.94 0.00 -0.32 -1.99 -1.60 -0.08 116.97 113.92 1sms h TYR 257 Ca 0.16 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.92 1sms h TYR 257 Cb 0.40 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.83 1sms h TYR 257 CO -0.05 0.37 -0.34 0.66 -0.00 0.00 0.00 178.16 178.80 1sms n TYR 258 N -4.57 0.14 0.14 4.88 4.02 0.23 -0.12 117.16 121.88 1sms n TYR 258 Ca 0.17 0.04 0.08 0.00 -0.01 0.00 0.00 57.90 58.19 1sms n TYR 258 Cb 0.40 -0.43 -0.12 0.00 -0.02 0.00 0.00 39.34 39.18 1sms n TYR 258 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1sms n SER 259 N -1.64 1.18 0.00 7.72 7.64 -0.96 -4.29 113.62 123.27 1sms n SER 259 Ca 0.06 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1sms n SER 259 Cb 0.36 1.59 0.00 0.00 -1.01 0.00 0.00 64.21 65.15 1sms n SER 259 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1sms n ASN 260 N -1.92 0.00 0.00 6.43 2.85 -0.08 -5.00 115.26 117.53 1sms n ASN 260 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1sms n ASN 260 Cb 0.39 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.41 1sms n ASN 260 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1sms n SER 261 N -0.77 0.00 -4.64 1.20 2.88 -0.92 -4.73 113.62 106.64 1sms n SER 261 Ca 0.00 0.16 -0.41 0.00 -1.33 0.00 0.00 58.87 57.29 1sms n SER 261 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1sms n SER 261 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1sms s LEU 262 N -0.34 4.10 0.00 2.46 1.43 0.83 -4.97 118.68 122.19 1sms s LEU 262 Ca 0.00 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1sms s LEU 262 Cb 0.00 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1sms s LEU 262 CO 0.00 -0.35 0.00 -2.65 0.23 0.00 0.00 176.35 173.58 1sms n PRO 263 N 5.48 0.00 0.00 1.29 -0.02 -1.26 -3.72 135.00 136.77 1sms n PRO 263 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1sms n PRO 263 Cb 0.49 -0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 1sms n PRO 263 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1sms n VAL 264 N 0.00 0.00 -0.11 -1.45 0.31 -1.26 -4.45 118.33 111.37 1sms n VAL 264 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 1sms n VAL 264 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1sms n VAL 264 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1sms n GLU 265 N -1.32 0.56 0.19 5.55 4.07 -1.26 -0.53 120.64 127.89 1sms n GLU 265 Ca 0.00 0.32 0.08 0.00 -0.06 0.00 0.00 57.16 57.50 1sms n GLU 265 Cb 0.00 -1.53 0.23 0.00 -0.06 0.00 0.00 31.44 30.08 1sms n GLU 265 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1sms h LYS 266 N -1.00 0.00 -0.44 5.31 1.57 -1.90 -3.14 116.57 116.97 1sms h LYS 266 Ca -0.39 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.29 1sms h LYS 266 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1sms h LYS 266 CO -0.23 0.28 -0.14 0.35 -0.57 0.00 0.00 179.45 179.14 1sms h PHE 267 N 0.00 0.99 0.00 -1.35 3.57 -1.86 -3.42 116.94 114.88 1sms h PHE 267 Ca -0.00 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1sms h PHE 267 Cb 1.05 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1sms h PHE 267 CO 0.00 0.99 0.00 0.41 -2.23 0.00 0.00 178.31 177.48 1sms n GLY 268 N -0.17 0.65 3.19 2.40 0.00 -1.18 -4.77 105.19 105.31 1sms n GLY 268 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1sms n GLY 268 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sms s MET 269 N 0.00 0.91 -1.36 1.61 1.75 0.31 -5.02 119.30 117.49 1sms s MET 269 Ca 0.00 -1.26 -0.14 0.00 -1.25 0.00 0.00 55.69 53.05 1sms s MET 269 Cb 0.00 0.28 0.09 0.00 2.84 0.00 0.00 34.83 38.04 1sms s MET 269 CO 0.00 -0.27 1.98 -0.25 -0.65 0.00 0.00 175.02 175.83 1sms n ASP 270 N -0.08 4.49 0.00 1.11 8.00 -1.26 -4.15 116.55 124.66 1sms n ASP 270 Ca -0.09 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.48 1sms n ASP 270 Cb 0.63 -1.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 1sms n ASP 270 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1sms n LEU 271 N 6.03 0.00 0.30 0.64 7.94 -1.26 0.98 117.00 131.63 1sms n LEU 271 Ca 0.47 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.52 1sms n LEU 271 Cb 0.40 0.00 0.75 0.00 0.53 0.00 0.00 43.42 45.10 1sms n LEU 271 CO 0.83 0.00 1.13 0.50 -1.11 0.00 0.00 177.39 178.73 1sms h LYS 272 N 0.00 0.00 0.03 1.96 3.64 -1.98 -0.24 116.57 119.97 1sms h LYS 272 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sms h LYS 272 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1sms h LYS 272 CO 0.00 0.00 -0.01 0.66 -2.27 0.00 0.00 179.45 177.83 1sms h SER 273 N 0.00 -0.03 -0.45 4.20 4.64 0.21 -2.69 113.55 119.43 1sms h SER 273 Ca 0.03 -0.60 0.07 0.00 -0.47 0.00 0.00 61.79 60.81 1sms h SER 273 Cb 0.83 0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.87 1sms h SER 273 CO -0.00 0.74 0.12 0.40 -0.87 0.00 0.00 176.83 177.22 1sms h ILE 274 N -0.96 0.80 -0.98 0.95 1.08 -1.42 0.41 117.51 117.39 1sms h ILE 274 Ca -0.00 -0.09 0.22 0.00 -0.39 0.00 0.00 64.86 64.59 1sms h ILE 274 Cb 0.63 0.51 -0.12 0.00 -3.07 0.00 0.00 36.82 34.78 1sms h ILE 274 CO 0.01 0.05 0.56 0.45 -0.69 0.00 0.00 178.15 178.53 1sms h HIS 275 N 0.27 0.97 0.07 1.37 3.86 -1.17 -0.42 115.15 120.09 1sms h HIS 275 Ca 0.22 0.04 -0.16 0.00 -1.16 0.00 0.00 60.37 59.30 1sms h HIS 275 Cb 0.25 -0.28 0.02 0.00 1.06 0.00 0.00 27.41 28.46 1sms h HIS 275 CO -0.19 0.12 -0.67 1.79 0.86 0.00 0.00 177.93 179.83 1sms h THR 276 N 0.62 1.49 -0.31 2.45 1.35 -0.52 -3.21 112.91 114.78 1sms h THR 276 Ca 0.60 -2.31 0.06 0.00 -0.55 0.00 0.00 66.41 64.20 1sms h THR 276 Cb 1.05 2.94 -0.05 0.00 -1.73 0.00 0.00 68.15 70.36 1sms h THR 276 CO -0.44 0.66 -0.01 0.22 -0.25 0.00 0.00 175.52 175.70 1sms h TYR 277 N -0.29 -0.03 -0.82 4.73 3.20 0.55 0.26 116.97 124.57 1sms h TYR 277 Ca -0.10 0.02 0.20 0.00 3.14 0.00 0.00 58.73 61.99 1sms h TYR 277 Cb 1.46 0.06 -0.14 0.00 1.54 0.00 0.00 36.73 39.65 1sms h TYR 277 CO 0.18 -0.06 0.09 0.82 -1.64 0.00 0.00 178.16 177.54 1sms h ILE 278 N 0.08 0.31 -1.00 1.81 2.04 -1.21 1.06 117.51 120.60 1sms h ILE 278 Ca 0.15 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1sms h ILE 278 Cb 0.21 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 1sms h ILE 278 CO -0.26 0.03 0.65 -0.33 0.00 0.00 0.00 178.15 178.24 1sms h GLU 279 N 0.14 1.25 0.04 2.37 5.08 -0.58 -2.46 114.58 120.43 1sms h GLU 279 Ca 0.47 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1sms h GLU 279 Cb 0.89 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1sms h GLU 279 CO -0.68 0.83 -0.06 0.35 -1.00 0.00 0.00 179.01 178.46 1sms h PHE 280 N 1.29 -0.16 -0.79 4.33 3.57 0.29 -2.18 116.94 123.29 1sms h PHE 280 Ca 0.39 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.96 1sms h PHE 280 Cb -0.06 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 38.66 1sms h PHE 280 CO -0.00 -0.07 -0.46 0.28 -2.23 0.00 0.00 178.31 175.82 1sms n VAL 281 N -2.67 -0.53 -0.28 1.41 0.31 -0.62 -1.01 118.33 114.93 1sms n VAL 281 Ca -0.01 2.05 0.09 0.00 -0.01 0.00 0.00 64.34 66.46 1sms n VAL 281 Cb 0.05 -2.55 0.22 0.00 -0.91 0.00 0.00 33.84 30.65 1sms n VAL 281 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sms h ALA 282 N 0.29 0.99 0.29 3.52 0.00 -1.29 -0.81 119.26 122.25 1sms h ALA 282 Ca 0.13 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1sms h ALA 282 Cb 0.32 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1sms h ALA 282 CO -0.74 -0.45 -0.14 -0.44 0.00 0.00 0.00 179.25 177.48 1sms h ASP 283 N 0.13 -0.33 -0.47 0.00 5.19 -0.42 0.78 116.42 121.30 1sms h ASP 283 Ca 0.48 -0.09 0.14 0.00 -0.62 0.00 0.00 57.03 56.94 1sms h ASP 283 Cb 0.91 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 1sms h ASP 283 CO -0.70 -0.11 0.46 1.23 -3.12 0.00 0.00 179.24 177.00 1sms h GLY 284 N -0.54 0.00 1.47 2.75 0.00 -0.87 1.12 103.07 106.99 1sms h GLY 284 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.02 1sms h GLY 284 CO 0.07 0.00 -1.37 -2.00 0.00 0.00 0.00 176.54 173.24 1sms h LEU 285 N 0.00 0.19 -0.63 3.11 5.85 -0.36 -2.67 115.31 120.80 1sms h LEU 285 Ca 0.23 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1sms h LEU 285 Cb 1.13 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1sms h LEU 285 CO -0.00 1.21 0.10 -0.07 -0.34 0.00 0.00 178.44 179.33 1sms h LEU 286 N 0.03 1.01 -0.08 2.25 -0.00 0.78 -2.89 115.31 116.42 1sms h LEU 286 Ca -0.17 -0.26 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1sms h LEU 286 Cb 1.93 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 42.32 1sms h LEU 286 CO 0.14 1.02 0.02 1.56 -0.00 0.00 0.00 178.44 181.18 1sms h GLN 287 N 0.96 0.13 0.00 1.13 4.20 -0.04 -1.89 115.11 119.60 1sms h GLN 287 Ca 0.19 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1sms h GLN 287 Cb 0.44 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1sms h GLN 287 CO 0.01 0.31 0.00 0.41 -0.67 0.00 0.00 178.83 178.89 1sms n GLY 288 N -0.52 0.00 0.30 3.46 0.00 -1.01 0.45 105.19 107.88 1sms n GLY 288 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.98 1sms n GLY 288 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sms n PHE 289 N -0.36 0.00 -2.85 1.61 3.01 -1.09 -4.92 117.46 112.85 1sms n PHE 289 Ca 0.00 -0.23 -0.08 0.00 1.01 0.00 0.00 57.45 58.15 1sms n PHE 289 Cb 0.00 -0.06 0.04 0.00 -0.01 0.00 0.00 39.48 39.45 1sms n PHE 289 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sms n GLY 290 N -0.32 -0.85 3.28 1.37 0.00 0.17 -5.04 105.19 103.80 1sms n GLY 290 Ca 0.03 0.39 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 1sms n GLY 290 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sms s ASN 291 N -3.14 -0.52 0.56 1.61 2.47 -0.73 -4.92 114.94 110.27 1sms s ASN 291 Ca 0.25 0.90 -0.21 0.00 0.42 0.00 0.00 52.86 54.22 1sms s ASN 291 Cb -0.03 0.79 -0.04 0.00 -1.45 0.00 0.00 41.25 40.51 1sms s ASN 291 CO 0.59 -0.19 1.35 -1.61 -3.72 0.00 0.00 177.10 173.52 1sms s GLU 292 N 1.34 3.04 0.65 0.43 2.02 -1.26 -2.58 118.70 122.34 1sms s GLU 292 Ca -0.09 2.21 -0.17 0.00 0.02 0.00 0.00 54.97 56.94 1sms s GLU 292 Cb -0.08 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1sms s GLU 292 CO -0.12 -1.26 0.97 1.63 0.02 0.00 0.00 175.26 176.50 1sms n LYS 293 N -1.18 0.75 0.00 1.61 5.02 -1.26 -4.79 118.16 118.31 1sms n LYS 293 Ca 0.11 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1sms n LYS 293 Cb 0.45 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 1sms n LYS 293 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1sms n TYR 294 N -2.05 0.00 -0.28 2.13 9.36 -1.26 -4.81 117.16 120.26 1sms n TYR 294 Ca 0.14 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.53 1sms n TYR 294 Cb 0.48 0.00 0.46 0.00 -0.63 0.00 0.00 39.34 39.65 1sms n TYR 294 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1sms h TYR 295 N 0.00 0.69 -3.51 2.98 -1.99 -1.94 -3.45 116.97 109.75 1sms h TYR 295 Ca 0.00 0.02 -0.36 0.00 2.00 0.00 0.00 58.73 60.39 1sms h TYR 295 Cb 0.00 -0.21 0.03 0.00 2.00 0.00 0.00 36.73 38.55 1sms h TYR 295 CO 0.00 0.18 -0.51 0.09 -0.00 0.00 0.00 178.16 177.92 1sms n ASN 296 N -4.57 -5.49 -3.76 3.88 3.02 -1.26 -4.98 115.26 102.09 1sms n ASN 296 Ca 0.20 -0.17 -0.30 0.00 -0.03 0.00 0.00 54.58 54.28 1sms n ASN 296 Cb 0.66 -4.39 0.25 0.00 -0.61 0.00 0.00 39.78 35.69 1sms n ASN 296 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sms s ALA 297 N -3.04 0.30 -0.06 5.41 0.00 -1.26 -5.07 121.76 118.04 1sms s ALA 297 Ca 0.18 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 1sms s ALA 297 Cb -0.08 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.17 1sms s ALA 297 CO 0.22 -3.80 0.12 0.54 0.00 0.00 0.00 175.76 172.84 1sms s VAL 298 N -2.84 -0.07 -0.36 0.00 0.11 -1.26 -4.89 120.40 111.09 1sms s VAL 298 Ca 0.70 0.20 -0.42 0.00 -2.93 0.00 0.00 61.98 59.54 1sms s VAL 298 Cb -0.11 -0.21 -0.17 0.00 -1.53 0.00 0.00 36.38 34.36 1sms s VAL 298 CO 0.57 0.08 1.77 -3.20 -3.33 0.00 0.00 175.10 170.99 1sms n ASN 299 N 4.29 1.94 0.13 3.54 2.85 -1.26 -4.79 115.26 121.96 1sms n ASN 299 Ca -0.25 1.03 0.11 0.00 -0.11 0.00 0.00 54.58 55.36 1sms n ASN 299 Cb 0.51 -1.06 0.03 0.00 1.24 0.00 0.00 39.78 40.50 1sms n ASN 299 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1sms h PRO 300 N 7.17 0.00 -6.44 1.20 0.11 -1.94 -3.47 132.00 128.64 1sms h PRO 300 Ca -0.42 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.04 1sms h PRO 300 Cb 1.34 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.18 1sms h PRO 300 CO 0.98 0.01 -0.87 -0.06 -0.21 0.00 0.00 178.00 177.85 1sms s PHE 301 N -3.33 2.11 -0.63 0.65 0.08 -1.26 -5.05 117.98 110.56 1sms s PHE 301 Ca 0.01 -0.40 -0.26 0.00 0.12 0.00 0.00 56.93 56.40 1sms s PHE 301 Cb 0.09 -1.29 -0.11 0.00 -0.57 0.00 0.00 43.02 41.14 1sms s PHE 301 CO 0.77 0.07 2.43 0.39 -0.10 0.00 0.00 175.22 178.77 1sms n GLU 302 N 2.01 0.81 -4.19 0.44 4.71 -1.26 -4.90 120.64 118.26 1sms n GLU 302 Ca -0.17 -0.29 -0.30 0.00 -0.01 0.00 0.00 57.16 56.40 1sms n GLU 302 Cb 0.52 -3.38 -0.09 0.00 -1.01 0.00 0.00 31.44 27.48 1sms n GLU 302 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1sms s PHE 303 N 12.68 2.84 -0.00 -0.32 0.40 -1.26 -5.09 117.98 127.23 1sms s PHE 303 Ca 0.99 -0.11 0.01 0.00 -0.60 0.00 0.00 56.93 57.22 1sms s PHE 303 Cb -0.23 -1.46 -0.00 0.00 0.51 0.00 0.00 43.02 41.84 1sms s PHE 303 CO 0.22 0.46 -0.02 1.41 0.70 0.00 0.00 175.22 177.99 1sms s MET 304 N -2.33 0.16 -0.10 0.44 -2.45 -1.26 -5.22 119.30 108.52 1sms s MET 304 Ca 0.24 -0.06 -0.04 0.00 -1.25 0.00 0.00 55.69 54.58 1sms s MET 304 Cb -0.11 -0.16 -0.01 0.00 1.25 0.00 0.00 34.83 35.80 1sms s MET 304 CO 0.16 0.03 -0.07 1.05 1.05 0.00 0.00 175.02 177.24 1sms h GLU 305 N 6.16 0.00 0.00 4.11 9.09 -1.99 -3.51 114.58 128.44 1sms h GLU 305 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 1sms h GLU 305 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1sms h GLU 305 CO 0.51 0.00 0.00 0.34 0.05 0.00 0.00 179.01 179.91 1sms n PHE 315 N -4.36 0.00 0.18 2.06 7.35 -1.26 -4.10 117.46 117.34 1sms n PHE 315 Ca -0.03 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.51 1sms n PHE 315 Cb 0.11 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.86 1sms n PHE 315 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1sms h PHE 316 N 0.00 -1.05 0.48 -5.13 -0.00 -2.04 0.12 116.94 109.31 1sms h PHE 316 Ca 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 57.96 1sms h PHE 316 Cb 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 35.95 36.38 1sms h PHE 316 CO 0.00 -0.51 -0.23 0.93 -0.00 0.00 0.00 178.31 178.50 1sms h GLU 317 N -0.71 -0.61 -0.23 1.11 5.08 -2.05 -0.42 114.58 116.74 1sms h GLU 317 Ca -0.01 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1sms h GLU 317 Cb 0.68 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.99 1sms h GLU 317 CO -0.13 -0.40 -0.40 0.87 -1.00 0.00 0.00 179.01 177.95 1sms h LYS 318 N -0.66 -0.40 0.00 2.33 1.57 -1.96 0.20 116.57 117.65 1sms h LYS 318 Ca -0.07 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1sms h LYS 318 Cb 0.50 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1sms h LYS 318 CO 0.11 -0.26 -0.07 0.87 -0.57 0.00 0.00 179.45 179.52 1sms h LYS 319 N -0.41 0.00 0.20 3.15 1.79 -0.75 0.77 116.57 121.32 1sms h LYS 319 Ca 0.10 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1sms h LYS 319 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1sms h LYS 319 CO -0.45 0.07 -0.09 0.28 -1.08 0.00 0.00 179.45 178.17 1sms h VAL 320 N 0.00 0.89 0.00 0.50 2.07 0.11 -3.15 116.25 116.66 1sms h VAL 320 Ca -0.00 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 1sms h VAL 320 Cb 0.27 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1sms h VAL 320 CO 0.01 0.17 -0.35 0.77 0.02 0.00 0.00 177.57 178.19 1sms h SER 321 N -0.69 0.00 0.08 0.57 4.64 -0.70 -2.51 113.55 114.94 1sms h SER 321 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1sms h SER 321 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1sms h SER 321 CO 0.04 0.35 -0.02 0.44 -0.87 0.00 0.00 176.83 176.77 1sms h ASP 322 N 0.00 0.00 -0.76 4.97 5.19 -0.86 0.35 116.42 125.31 1sms h ASP 322 Ca -0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.90 1sms h ASP 322 Cb 0.86 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 40.08 1sms h ASP 322 CO 0.05 0.02 0.09 -1.22 -3.12 0.00 0.00 179.24 175.06 1sms n TYR 323 N -3.72 2.55 0.00 4.55 4.02 -0.95 -3.81 117.16 119.80 1sms n TYR 323 Ca -0.03 -2.33 0.00 0.00 -0.01 0.00 0.00 57.90 55.53 1sms n TYR 323 Cb 0.11 -0.83 0.00 0.00 -0.02 0.00 0.00 39.34 38.60 1sms n TYR 323 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1sms n GLN 324 N -0.93 1.74 0.00 -0.72 6.02 0.08 -5.04 117.38 118.54 1sms n GLN 324 Ca 0.50 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.58 1sms n GLN 324 Cb 0.94 -0.86 0.08 0.00 1.02 0.00 0.00 30.24 31.42 1sms n GLN 324 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68