#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq4 s SER 4 N 0.00 6.87 -0.01 3.14 0.01 -1.26 -5.06 113.70 117.39 1sq4 s SER 4 Ca 0.00 2.08 0.01 0.00 1.31 0.00 0.00 55.95 59.35 1sq4 s SER 4 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1sq4 s SER 4 CO 0.00 -0.42 0.01 -0.94 0.41 0.00 0.00 173.24 172.31 1sq4 s SER 5 N -1.44 5.22 -0.02 2.44 1.04 -1.26 -4.96 113.70 114.73 1sq4 s SER 5 Ca 0.55 0.03 0.06 0.00 0.48 0.00 0.00 55.95 57.07 1sq4 s SER 5 Cb -0.24 -1.40 -0.02 0.00 0.10 0.00 0.00 66.02 64.47 1sq4 s SER 5 CO 0.30 0.28 -0.20 -0.31 0.98 0.00 0.00 173.24 174.29 1sq4 s TYR 6 N -1.09 1.82 0.41 5.02 2.02 -1.26 -4.73 117.35 119.53 1sq4 s TYR 6 Ca 0.20 -0.35 -0.24 0.00 -0.37 0.00 0.00 57.07 56.31 1sq4 s TYR 6 Cb -0.12 -1.17 -0.09 0.00 -0.40 0.00 0.00 41.96 40.18 1sq4 s TYR 6 CO 0.10 -0.04 1.06 -0.47 -1.57 0.00 0.00 175.55 174.63 1sq4 s TYR 7 N -0.46 3.21 -0.07 2.71 6.14 -0.77 -4.88 117.35 123.24 1sq4 s TYR 7 Ca 0.07 1.63 -0.04 0.00 0.64 0.00 0.00 57.07 59.37 1sq4 s TYR 7 Cb -0.08 -3.14 0.03 0.00 0.42 0.00 0.00 41.96 39.19 1sq4 s TYR 7 CO -0.01 -0.72 0.17 0.00 0.64 0.00 0.00 175.55 175.63 1sq4 s ALA 8 N -1.68 -0.35 0.17 3.97 0.00 -1.26 -4.92 121.76 117.68 1sq4 s ALA 8 Ca 0.59 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.89 1sq4 s ALA 8 Cb -0.22 -0.42 -0.10 0.00 0.00 0.00 0.00 23.12 22.39 1sq4 s ALA 8 CO 0.27 -0.13 1.54 -2.14 0.00 0.00 0.00 175.76 175.29 1sq4 s PRO 9 N 0.81 4.23 -0.12 0.00 0.02 -1.26 -4.92 135.00 133.77 1sq4 s PRO 9 Ca -0.06 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.31 1sq4 s PRO 9 Cb -0.08 -3.16 -0.09 0.00 0.02 0.00 0.00 34.50 31.19 1sq4 s PRO 9 CO -0.04 -0.57 -0.08 0.72 -0.33 0.00 0.00 177.00 176.70 1sq4 n HIS 10 N 3.83 0.00 0.00 6.54 8.25 -1.26 -5.05 115.22 127.54 1sq4 n HIS 10 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1sq4 n HIS 10 Cb 0.39 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1sq4 n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sq4 n GLY 11 N 2.80 1.00 6.71 -1.41 0.00 -1.26 -4.96 105.19 108.07 1sq4 n GLY 11 Ca -0.21 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.07 1sq4 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sq4 n GLY 12 N 0.00 -0.80 2.44 -0.02 0.00 -1.26 -4.48 105.19 101.06 1sq4 n GLY 12 Ca 0.00 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 1sq4 n GLY 12 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sq4 n HIS 13 N -1.76 3.04 -1.80 1.61 8.25 -1.26 -4.60 115.22 118.71 1sq4 n HIS 13 Ca 0.00 -4.05 -0.39 0.00 -0.26 0.00 0.00 57.72 53.02 1sq4 n HIS 13 Cb 0.03 -0.52 0.03 0.00 1.12 0.00 0.00 29.99 30.65 1sq4 n HIS 13 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1sq4 s PRO 14 N -2.40 3.39 -0.30 -0.41 0.04 -1.26 -5.25 135.00 128.80 1sq4 s PRO 14 Ca 0.40 2.31 -0.01 0.00 0.04 0.00 0.00 61.00 63.75 1sq4 s PRO 14 Cb 0.17 -2.44 0.13 0.00 0.04 0.00 0.00 34.50 32.41 1sq4 s PRO 14 CO -0.04 -1.02 0.27 0.00 0.04 0.00 0.00 177.00 176.25 1sq4 s ALA 15 N -1.26 -0.20 0.04 8.56 0.00 -1.26 -5.26 121.76 122.38 1sq4 s ALA 15 Ca 0.67 -0.61 -0.10 0.00 0.00 0.00 0.00 51.96 51.92 1sq4 s ALA 15 Cb -0.42 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 20.96 1sq4 s ALA 15 CO 0.51 -1.78 0.21 0.34 0.00 0.00 0.00 175.76 175.05 1sq4 s ASP 22 N 2.14 0.01 -0.03 0.00 2.15 -1.26 -5.34 116.67 114.34 1sq4 s ASP 22 Ca 0.11 -0.33 0.17 0.00 0.43 0.00 0.00 52.55 52.92 1sq4 s ASP 22 Cb -0.15 0.30 0.52 0.00 -0.30 0.00 0.00 42.92 43.29 1sq4 s ASP 22 CO -0.28 -0.56 1.44 0.54 -0.17 0.00 0.00 175.17 176.13 1sq4 n ARG 23 N 0.69 2.96 -1.26 4.34 1.74 -1.26 -5.18 116.66 118.69 1sq4 n ARG 23 Ca -0.19 -2.48 -0.30 0.00 -0.77 0.00 0.00 57.85 54.11 1sq4 n ARG 23 Cb 0.59 -1.52 0.11 0.00 -1.02 0.00 0.00 32.46 30.62 1sq4 n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sq4 s ALA 24 N -1.24 1.93 0.00 7.54 0.00 -1.26 -4.72 121.76 124.01 1sq4 s ALA 24 Ca 0.39 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1sq4 s ALA 24 Cb 0.22 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1sq4 s ALA 24 CO 0.24 -2.02 0.00 1.19 0.00 0.00 0.00 175.76 175.16 1sq4 n PHE 26 N -3.67 0.00 -4.23 0.00 3.72 -1.26 -4.96 117.46 107.06 1sq4 n PHE 26 Ca 0.08 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.21 1sq4 n PHE 26 Cb 0.54 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.06 1sq4 n PHE 26 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1sq4 n THR 27 N 0.00 0.00 0.74 4.37 -2.24 0.52 -5.02 114.28 112.66 1sq4 n THR 27 Ca 0.00 -2.13 0.12 0.00 -2.27 0.00 0.00 64.05 59.78 1sq4 n THR 27 Cb 0.00 0.16 0.49 0.00 -2.10 0.00 0.00 70.33 68.89 1sq4 n THR 27 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sq4 n GLU 28 N -1.48 0.10 -0.01 -0.78 0.00 -1.26 -3.73 120.64 113.49 1sq4 n GLU 28 Ca -0.10 0.15 0.01 0.00 0.00 0.00 0.00 57.16 57.22 1sq4 n GLU 28 Cb 0.59 -1.64 -0.03 0.00 0.00 0.00 0.00 31.44 30.36 1sq4 n GLU 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sq4 n ALA 29 N -1.62 2.07 -3.45 -1.84 0.00 -1.26 -4.91 120.51 109.50 1sq4 n ALA 29 Ca 0.05 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1sq4 n ALA 29 Cb 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 1sq4 n ALA 29 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1sq4 s TYR 30 N -2.23 0.31 0.01 0.00 1.13 -1.24 -0.73 117.35 114.59 1sq4 s TYR 30 Ca -0.02 -0.75 -0.08 0.00 -1.41 0.00 0.00 57.07 54.81 1sq4 s TYR 30 Cb 0.02 0.43 0.00 0.00 -1.10 0.00 0.00 41.96 41.32 1sq4 s TYR 30 CO 0.18 -1.24 0.15 0.00 -2.51 0.00 0.00 175.55 172.13 1sq4 s ALA 31 N -3.34 -0.34 -0.07 9.51 0.00 -0.54 -0.35 121.76 126.63 1sq4 s ALA 31 Ca 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 1sq4 s ALA 31 Cb -0.03 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.24 1sq4 s ALA 31 CO 0.11 -0.23 -0.01 0.08 0.00 0.00 0.00 175.76 175.72 1sq4 s VAL 32 N -1.52 0.42 -0.27 0.00 1.01 -1.26 -2.02 120.40 116.76 1sq4 s VAL 32 Ca -0.14 0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1sq4 s VAL 32 Cb -0.07 -0.55 0.06 0.00 0.00 0.00 0.00 36.38 35.82 1sq4 s VAL 32 CO 0.01 0.26 -0.09 0.27 0.00 0.00 0.00 175.10 175.55 1sq4 s ILE 33 N 1.82 2.38 0.82 2.22 -4.36 -0.34 -4.32 121.20 119.42 1sq4 s ILE 33 Ca 0.03 -1.54 -0.11 0.00 -0.26 0.00 0.00 60.65 58.77 1sq4 s ILE 33 Cb -0.12 -2.37 0.09 0.00 1.25 0.00 0.00 42.46 41.31 1sq4 s ILE 33 CO -0.05 -0.02 1.14 -2.84 0.24 0.00 0.00 174.94 173.41 1sq4 s PRO 34 N 1.15 1.70 0.48 0.37 0.02 -1.26 -1.72 135.00 135.73 1sq4 s PRO 34 Ca -0.07 1.46 0.21 0.00 0.02 0.00 0.00 61.00 62.62 1sq4 s PRO 34 Cb -0.20 -1.81 1.20 0.00 0.02 0.00 0.00 34.50 33.71 1sq4 s PRO 34 CO -0.04 -2.11 2.01 1.57 -0.33 0.00 0.00 177.00 178.10 1sq4 h LYS 35 N -1.26 0.00 0.00 5.54 2.10 -1.91 -3.07 116.57 117.97 1sq4 h LYS 35 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1sq4 h LYS 35 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1sq4 h LYS 35 CO 0.47 0.17 0.02 0.41 -2.00 0.00 0.00 179.45 178.52 1sq4 n GLY 36 N -0.79 -0.06 3.48 0.07 0.00 -1.26 -4.78 105.19 101.85 1sq4 n GLY 36 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1sq4 n GLY 36 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sq4 n VAL 37 N -0.94 4.17 0.00 1.61 0.31 -1.16 -5.12 118.33 117.20 1sq4 n VAL 37 Ca 0.00 -4.55 0.00 0.00 -0.01 0.00 0.00 64.34 59.78 1sq4 n VAL 37 Cb 0.02 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 30.52 1sq4 n VAL 37 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1sq4 n ARG 39 N 6.34 0.00 0.10 5.55 5.12 -1.26 -4.94 116.66 127.58 1sq4 n ARG 39 Ca 0.40 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.19 1sq4 n ARG 39 Cb 0.43 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.65 1sq4 n ARG 39 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1sq4 h ASP 40 N 0.00 -0.17 0.00 0.55 3.45 -1.86 -2.92 116.42 115.46 1sq4 h ASP 40 Ca 0.00 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.36 1sq4 h ASP 40 Cb 0.00 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1sq4 h ASP 40 CO 0.00 -0.01 0.00 2.30 -1.57 0.00 0.00 179.24 179.96 1sq4 n ILE 41 N -5.12 0.00 -0.37 0.35 -5.35 -1.26 -2.29 119.36 105.32 1sq4 n ILE 41 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1sq4 n ILE 41 Cb 0.15 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 1sq4 n ILE 41 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1sq4 n VAL 42 N -0.06 0.11 -1.10 7.28 3.14 -1.10 -5.07 118.33 121.52 1sq4 n VAL 42 Ca 0.00 -0.37 -0.31 0.00 -2.96 0.00 0.00 64.34 60.70 1sq4 n VAL 42 Cb 0.07 1.25 0.12 0.00 -1.06 0.00 0.00 33.84 34.21 1sq4 n VAL 42 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1sq4 s THR 43 N -0.11 2.91 0.54 1.55 -4.23 -0.97 -4.87 115.64 110.46 1sq4 s THR 43 Ca 0.00 0.30 0.03 0.00 -1.18 0.00 0.00 61.69 60.84 1sq4 s THR 43 Cb 0.00 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.20 1sq4 s THR 43 CO 0.00 -0.39 0.20 -0.44 -0.54 0.00 0.00 174.62 173.45 1sq4 s SER 44 N -3.21 4.38 -0.02 3.99 0.01 -1.26 -5.02 113.70 112.57 1sq4 s SER 44 Ca 0.63 -1.48 -0.11 0.00 1.31 0.00 0.00 55.95 56.30 1sq4 s SER 44 Cb -0.19 0.54 0.01 0.00 0.21 0.00 0.00 66.02 66.60 1sq4 s SER 44 CO 0.57 -1.01 0.23 -1.00 0.41 0.00 0.00 173.24 172.44 1sq4 s HIS 45 N -2.84 -0.10 0.08 2.43 3.76 -1.26 -4.66 115.29 112.70 1sq4 s HIS 45 Ca 0.18 0.16 0.09 0.00 -0.15 0.00 0.00 55.06 55.33 1sq4 s HIS 45 Cb -0.01 0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.69 1sq4 s HIS 45 CO 0.11 -0.31 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.95 1sq4 s LEU 46 N -1.13 2.25 0.67 0.89 1.43 -1.26 -5.13 118.68 116.40 1sq4 s LEU 46 Ca -0.12 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 1sq4 s LEU 46 Cb -0.06 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.11 1sq4 s LEU 46 CO 0.03 0.15 1.24 -2.65 0.23 0.00 0.00 176.35 175.34 1sq4 n PRO 47 N 1.36 0.94 -3.12 1.29 -0.02 -1.26 -3.58 135.00 130.61 1sq4 n PRO 47 Ca -0.18 0.38 -0.21 0.00 -2.02 0.00 0.00 63.50 61.47 1sq4 n PRO 47 Cb 0.53 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.58 1sq4 n PRO 47 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1sq4 n PHE 48 N -2.12 -2.07 -4.84 6.00 3.72 -1.26 -4.94 117.46 111.95 1sq4 n PHE 48 Ca 0.15 0.62 -0.26 0.00 -0.05 0.00 0.00 57.45 57.91 1sq4 n PHE 48 Cb 0.48 -4.40 -0.16 0.00 -0.94 0.00 0.00 39.48 34.47 1sq4 n PHE 48 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1sq4 s TRP 49 N -3.18 1.65 -0.14 1.38 0.52 -1.23 -4.47 118.94 113.46 1sq4 s TRP 49 Ca 0.36 -0.39 -0.05 0.00 0.02 0.00 0.00 56.10 56.04 1sq4 s TRP 49 Cb -0.16 -1.09 -0.03 0.00 -1.15 0.00 0.00 33.47 31.04 1sq4 s TRP 49 CO 0.44 -0.10 0.02 -0.51 0.02 0.00 0.00 176.95 176.82 1sq4 s ASP 50 N -0.19 5.28 -0.03 2.95 1.01 -0.03 -4.98 116.67 120.67 1sq4 s ASP 50 Ca 0.02 0.05 -0.02 0.00 0.71 0.00 0.00 52.55 53.30 1sq4 s ASP 50 Cb -0.09 -1.77 0.01 0.00 1.01 0.00 0.00 42.92 42.08 1sq4 s ASP 50 CO 0.01 0.24 0.04 0.59 0.21 0.00 0.00 175.17 176.26 1sq4 n ASN 51 N 3.07 -5.08 0.00 0.27 3.02 -1.26 -2.00 115.26 113.28 1sq4 n ASN 51 Ca -0.18 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.46 1sq4 n ASN 51 Cb 0.53 -2.37 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 1sq4 n ASN 51 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1sq4 n ARG 53 N 2.27 0.00 -3.74 3.52 1.85 -0.74 -2.04 116.66 117.77 1sq4 n ARG 53 Ca -0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.65 1sq4 n ARG 53 Cb 0.12 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.39 1sq4 n ARG 53 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1sq4 s TRP 55 N -2.00 -0.28 -0.09 2.89 0.51 -0.78 -0.43 118.94 118.77 1sq4 s TRP 55 Ca 0.00 0.70 -0.11 0.00 -2.12 0.00 0.00 56.10 54.56 1sq4 s TRP 55 Cb 0.00 0.02 -0.05 0.00 -0.81 0.00 0.00 33.47 32.63 1sq4 s TRP 55 CO 0.00 -0.21 0.26 0.08 -0.51 0.00 0.00 176.95 176.58 1sq4 s VAL 56 N 1.13 5.30 -0.40 4.03 1.01 -1.26 -1.06 120.40 129.14 1sq4 s VAL 56 Ca -0.08 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.40 1sq4 s VAL 56 Cb -0.10 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.86 1sq4 s VAL 56 CO -0.07 0.56 0.23 -0.51 0.00 0.00 0.00 175.10 175.30 1sq4 s ILE 57 N -0.73 0.82 0.15 2.22 1.10 0.32 -5.01 121.20 120.08 1sq4 s ILE 57 Ca 0.18 -2.18 -0.07 0.00 -0.51 0.00 0.00 60.65 58.08 1sq4 s ILE 57 Cb -0.14 -1.59 -0.02 0.00 0.15 0.00 0.00 42.46 40.87 1sq4 s ILE 57 CO 0.07 -0.94 0.21 0.00 -2.11 0.00 0.00 174.94 172.17 1sq4 s ALA 58 N 0.67 0.22 -1.30 1.50 0.00 -1.26 -3.12 121.76 118.46 1sq4 s ALA 58 Ca 0.18 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.94 1sq4 s ALA 58 Cb -0.23 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.73 1sq4 s ALA 58 CO 0.00 -0.59 0.52 0.54 0.00 0.00 0.00 175.76 176.23 1sq4 n ARG 59 N -0.17 -1.22 0.18 0.00 1.74 -1.24 -4.83 116.66 111.13 1sq4 n ARG 59 Ca -0.07 0.23 0.04 0.00 -0.77 0.00 0.00 57.85 57.28 1sq4 n ARG 59 Cb 0.63 -3.50 0.46 0.00 -1.02 0.00 0.00 32.46 29.03 1sq4 n ARG 59 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1sq4 h PRO 60 N -2.14 0.09 -4.67 5.56 0.11 -1.92 -3.43 132.00 125.60 1sq4 h PRO 60 Ca -0.68 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.14 1sq4 h PRO 60 Cb 1.39 -0.01 -0.19 0.00 0.11 0.00 0.00 31.00 32.29 1sq4 h PRO 60 CO 0.57 0.25 -0.73 -0.51 -0.21 0.00 0.00 178.00 177.37 1sq4 s LEU 61 N -8.72 2.34 0.71 2.35 1.02 -1.26 -4.96 118.68 110.17 1sq4 s LEU 61 Ca -0.05 -0.70 -0.13 0.00 0.02 0.00 0.00 54.13 53.27 1sq4 s LEU 61 Cb 0.16 -0.17 0.03 0.00 0.02 0.00 0.00 46.19 46.22 1sq4 s LEU 61 CO 0.71 -0.27 1.11 -0.55 0.02 0.00 0.00 176.35 177.37 1sq4 s SER 62 N -2.06 4.75 0.00 2.29 0.15 -1.26 -4.64 113.70 112.93 1sq4 s SER 62 Ca -0.02 1.96 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1sq4 s SER 62 Cb -0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1sq4 s SER 62 CO -0.01 -1.87 0.00 0.61 1.20 0.00 0.00 173.24 173.17 1sq4 n GLY 63 N -0.70 0.54 3.34 9.45 0.00 -1.26 -4.82 105.19 111.73 1sq4 n GLY 63 Ca 0.10 -1.48 -0.44 0.00 0.00 0.00 0.00 46.02 44.20 1sq4 n GLY 63 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sq4 n PHE 64 N 0.00 4.55 -2.50 1.61 -0.00 -1.26 -4.57 117.46 115.28 1sq4 n PHE 64 Ca 0.00 -3.25 0.04 0.00 -0.00 0.00 0.00 57.45 54.23 1sq4 n PHE 64 Cb 0.00 -2.12 0.03 0.00 -0.00 0.00 0.00 39.48 37.39 1sq4 n PHE 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1sq4 n ALA 65 N 5.16 2.41 -0.35 3.13 0.00 -1.26 -4.81 120.51 124.78 1sq4 n ALA 65 Ca 0.37 -2.40 0.06 0.00 0.00 0.00 0.00 53.44 51.47 1sq4 n ALA 65 Cb 0.41 -0.74 0.17 0.00 0.00 0.00 0.00 19.45 19.30 1sq4 n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sq4 n GLU 66 N 0.40 2.89 0.10 0.00 1.02 -1.26 -3.59 120.64 120.21 1sq4 n GLU 66 Ca 0.06 -2.22 -0.21 0.00 -0.02 0.00 0.00 57.16 54.78 1sq4 n GLU 66 Cb 1.12 -1.39 -0.13 0.00 -0.02 0.00 0.00 31.44 31.02 1sq4 n GLU 66 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1sq4 h THR 67 N 1.97 1.32 -2.17 2.62 2.02 -1.97 -3.47 112.91 113.23 1sq4 h THR 67 Ca 0.00 -2.59 -0.61 0.00 0.77 0.00 0.00 66.41 63.98 1sq4 h THR 67 Cb 0.88 2.77 -0.14 0.00 -1.74 0.00 0.00 68.15 69.93 1sq4 h THR 67 CO 0.05 0.78 -0.75 -0.36 0.37 0.00 0.00 175.52 175.61 1sq4 s PHE 68 N -2.89 2.31 0.02 3.16 0.08 -1.26 -4.45 117.98 114.95 1sq4 s PHE 68 Ca -0.08 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 56.63 1sq4 s PHE 68 Cb 0.06 -1.05 -0.01 0.00 -0.57 0.00 0.00 43.02 41.44 1sq4 s PHE 68 CO 0.92 0.70 -0.07 0.45 -0.10 0.00 0.00 175.22 177.13 1sq4 s SER 69 N -3.53 0.75 -0.07 1.36 0.15 -1.08 -4.72 113.70 106.56 1sq4 s SER 69 Ca 0.30 -0.34 -0.03 0.00 0.70 0.00 0.00 55.95 56.59 1sq4 s SER 69 Cb -0.04 -0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1sq4 s SER 69 CO 0.15 -0.08 0.15 -1.58 1.20 0.00 0.00 173.24 173.09 1sq4 s GLN 70 N -0.90 0.06 0.05 5.44 0.74 -1.18 -1.94 119.66 121.92 1sq4 s GLN 70 Ca -0.04 0.47 0.08 0.00 0.05 0.00 0.00 55.36 55.91 1sq4 s GLN 70 Cb -0.06 -0.23 -0.03 0.00 1.10 0.00 0.00 33.01 33.79 1sq4 s GLN 70 CO 0.00 -0.24 -0.21 0.71 -0.55 0.00 0.00 175.29 175.00 1sq4 s TYR 71 N 1.76 1.85 -0.49 1.67 2.02 0.15 -0.52 117.35 123.79 1sq4 s TYR 71 Ca -0.03 -0.38 -0.06 0.00 -0.37 0.00 0.00 57.07 56.23 1sq4 s TYR 71 Cb -0.12 -1.09 0.13 0.00 -0.40 0.00 0.00 41.96 40.48 1sq4 s TYR 71 CO -0.06 0.11 0.33 0.42 -1.57 0.00 0.00 175.55 174.78 1sq4 s ILE 72 N -0.84 3.82 0.04 2.71 1.01 -0.22 -0.39 121.20 127.33 1sq4 s ILE 72 Ca 0.08 -2.14 -0.25 0.00 0.00 0.00 0.00 60.65 58.33 1sq4 s ILE 72 Cb -0.09 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1sq4 s ILE 72 CO 0.02 -0.77 0.76 -0.69 0.00 0.00 0.00 174.94 174.26 1sq4 s VAL 73 N 0.95 4.74 -0.18 2.92 1.01 0.71 -1.86 120.40 128.69 1sq4 s VAL 73 Ca 0.09 1.62 -0.00 0.00 0.00 0.00 0.00 61.98 63.69 1sq4 s VAL 73 Cb -0.23 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1sq4 s VAL 73 CO -0.03 0.36 -0.15 -0.70 0.00 0.00 0.00 175.10 174.58 1sq4 s GLU 74 N -0.03 3.14 -0.15 2.72 2.12 0.43 -1.31 118.70 125.63 1sq4 s GLU 74 Ca 0.38 -0.76 -0.02 0.00 0.36 0.00 0.00 54.97 54.93 1sq4 s GLU 74 Cb -0.20 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 1sq4 s GLU 74 CO 0.23 -0.13 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.23 1sq4 s LEU 75 N 1.16 2.92 0.61 2.70 1.43 0.70 -1.79 118.68 126.41 1sq4 s LEU 75 Ca 0.01 -0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 1sq4 s LEU 75 Cb -0.14 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1sq4 s LEU 75 CO -0.06 0.13 1.01 0.00 0.23 0.00 0.00 176.35 177.66 1sq4 s ALA 76 N 0.55 3.12 0.28 4.21 0.00 -0.87 -1.40 121.76 127.66 1sq4 s ALA 76 Ca -0.06 -0.14 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 1sq4 s ALA 76 Cb -0.15 -3.03 -0.15 0.00 0.00 0.00 0.00 23.12 19.79 1sq4 s ALA 76 CO 0.03 -0.68 0.72 -2.30 0.00 0.00 0.00 175.76 173.53 1sq4 n PRO 77 N -2.72 0.67 -3.07 0.00 -0.02 -1.26 -1.15 135.00 127.46 1sq4 n PRO 77 Ca 0.06 0.24 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 1sq4 n PRO 77 Cb 0.54 -1.44 0.04 0.00 -0.02 0.00 0.00 33.50 32.62 1sq4 n PRO 77 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1sq4 n ASN 78 N 1.55 -6.11 -4.80 2.55 5.15 0.22 -4.99 115.26 108.84 1sq4 n ASN 78 Ca 0.13 -0.31 -0.27 0.00 -0.60 0.00 0.00 54.58 53.54 1sq4 n ASN 78 Cb 0.31 -4.93 -0.05 0.00 -0.53 0.00 0.00 39.78 34.58 1sq4 n ASN 78 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1sq4 s GLY 79 N -2.74 2.48 0.00 8.20 0.00 -0.30 -4.88 107.32 110.07 1sq4 s GLY 79 Ca 0.33 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1sq4 s GLY 79 CO 0.40 -1.97 0.00 0.61 0.00 0.00 0.00 173.10 172.14 1sq4 n GLY 80 N -1.43 0.68 3.56 0.20 0.00 -0.85 0.32 105.19 107.68 1sq4 n GLY 80 Ca -0.05 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 1sq4 n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sq4 s SER 81 N -4.00 -0.50 0.00 1.61 0.15 0.02 -0.85 113.70 110.13 1sq4 s SER 81 Ca 0.00 0.57 0.18 0.00 0.70 0.00 0.00 55.95 57.40 1sq4 s SER 81 Cb 0.00 0.44 0.08 0.00 -1.71 0.00 0.00 66.02 64.82 1sq4 s SER 81 CO 0.00 -0.45 1.01 0.47 1.20 0.00 0.00 173.24 175.47 1sq4 n ASP 82 N 0.88 2.18 -2.88 5.45 8.00 -1.26 -2.56 116.55 126.36 1sq4 n ASP 82 Ca -0.14 -1.59 -0.13 0.00 0.71 0.00 0.00 54.79 53.65 1sq4 n ASP 82 Cb 0.57 0.22 0.01 0.00 -0.02 0.00 0.00 41.12 41.91 1sq4 n ASP 82 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sq4 n LYS 83 N 0.52 1.07 0.06 -1.24 5.02 -1.26 -4.84 118.16 117.49 1sq4 n LYS 83 Ca 0.09 -3.15 -0.11 0.00 -2.02 0.00 0.00 58.31 53.12 1sq4 n LYS 83 Cb 0.42 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 1sq4 n LYS 83 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1sq4 h PRO 84 N 2.94 -0.24 -5.07 1.97 0.13 -1.82 -3.42 132.00 126.49 1sq4 h PRO 84 Ca -0.03 0.02 -0.63 0.00 -0.87 0.00 0.00 66.00 64.48 1sq4 h PRO 84 Cb 1.10 0.05 -0.18 0.00 0.13 0.00 0.00 31.00 32.10 1sq4 h PRO 84 CO 0.45 -0.16 -0.57 -2.00 -0.23 0.00 0.00 178.00 175.49 1sq4 s GLU 85 N -6.14 3.88 -0.14 0.86 2.56 -1.26 -4.96 118.70 113.50 1sq4 s GLU 85 Ca -0.14 -0.37 0.05 0.00 0.00 0.00 0.00 54.97 54.50 1sq4 s GLU 85 Cb 0.08 -3.38 -0.23 0.00 2.00 0.00 0.00 34.13 32.59 1sq4 s GLU 85 CO 0.66 -0.00 0.29 1.04 -0.56 0.00 0.00 175.26 176.69 1sq4 n GLN 86 N 4.40 0.69 -2.30 4.30 3.00 -1.26 -4.87 117.38 121.34 1sq4 n GLN 86 Ca -0.16 0.20 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 1sq4 n GLN 86 Cb 0.52 -1.67 -0.02 0.00 0.00 0.00 0.00 30.24 29.07 1sq4 n GLN 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1sq4 s ASP 87 N -6.38 6.78 0.44 1.08 -1.08 -1.26 -4.93 116.67 111.32 1sq4 s ASP 87 Ca -0.17 1.73 0.23 0.00 -0.52 0.00 0.00 52.55 53.82 1sq4 s ASP 87 Cb 0.07 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.93 1sq4 s ASP 87 CO 0.76 -0.90 1.84 1.55 0.52 0.00 0.00 175.17 178.94 1sq4 h PRO 88 N 8.93 0.00 -0.66 4.34 0.13 -1.98 -2.94 132.00 139.83 1sq4 h PRO 88 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1sq4 h PRO 88 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1sq4 h PRO 88 CO 0.98 0.24 0.00 0.09 -0.23 0.00 0.00 178.00 179.08 1sq4 n ASN 89 N -3.45 4.44 -4.62 1.44 4.13 -1.26 -1.35 115.26 114.59 1sq4 n ASN 89 Ca -0.00 -2.38 -0.40 0.00 1.68 0.00 0.00 54.58 53.47 1sq4 n ASN 89 Cb 0.42 -0.55 -0.07 0.00 -1.54 0.00 0.00 39.78 38.04 1sq4 n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sq4 s ALA 90 N -1.77 3.60 0.17 5.41 0.00 -1.11 -1.47 121.76 126.60 1sq4 s ALA 90 Ca 0.48 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.96 1sq4 s ALA 90 Cb 0.30 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1sq4 s ALA 90 CO 0.24 -0.79 0.31 -1.83 0.00 0.00 0.00 175.76 173.70 1sq4 s GLU 91 N 2.44 3.46 0.26 0.00 -1.05 0.51 -4.06 118.70 120.25 1sq4 s GLU 91 Ca 0.24 -0.55 -0.09 0.00 -0.15 0.00 0.00 54.97 54.42 1sq4 s GLU 91 Cb -0.16 -2.93 -0.01 0.00 -0.44 0.00 0.00 34.13 30.60 1sq4 s GLU 91 CO 0.09 0.49 0.44 0.00 0.95 0.00 0.00 175.26 177.22 1sq4 s ALA 92 N -1.79 0.14 -0.01 -0.84 0.00 0.11 -1.61 121.76 117.75 1sq4 s ALA 92 Ca 0.35 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1sq4 s ALA 92 Cb -0.11 1.12 0.01 0.00 0.00 0.00 0.00 23.12 24.14 1sq4 s ALA 92 CO 0.29 -0.81 -0.03 0.08 0.00 0.00 0.00 175.76 175.29 1sq4 s VAL 93 N -3.82 0.30 -0.14 0.00 1.01 -0.48 -0.96 120.40 116.32 1sq4 s VAL 93 Ca 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 1sq4 s VAL 93 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1sq4 s VAL 93 CO 0.12 0.11 -0.11 -0.76 0.00 0.00 0.00 175.10 174.46 1sq4 s LEU 94 N 0.28 2.81 -0.25 3.92 1.02 0.11 -1.97 118.68 124.59 1sq4 s LEU 94 Ca -0.03 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 53.79 1sq4 s LEU 94 Cb -0.06 -1.64 0.08 0.00 0.02 0.00 0.00 46.19 44.59 1sq4 s LEU 94 CO -0.01 0.16 0.09 0.12 0.02 0.00 0.00 176.35 176.73 1sq4 s PHE 95 N 0.39 0.84 0.02 0.29 5.36 -0.84 -0.49 117.98 123.55 1sq4 s PHE 95 Ca -0.09 -1.00 -0.30 0.00 -0.96 0.00 0.00 56.93 54.57 1sq4 s PHE 95 Cb -0.16 -1.11 -0.04 0.00 -0.34 0.00 0.00 43.02 41.37 1sq4 s PHE 95 CO 0.05 -0.74 1.11 0.08 -1.46 0.00 0.00 175.22 174.26 1sq4 s VAL 96 N 1.92 4.40 -0.37 3.12 1.01 -0.38 0.11 120.40 130.21 1sq4 s VAL 96 Ca 0.05 1.72 0.10 0.00 0.00 0.00 0.00 61.98 63.85 1sq4 s VAL 96 Cb -0.17 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1sq4 s VAL 96 CO -0.22 0.11 0.37 1.33 0.00 0.00 0.00 175.10 176.69 1sq4 n VAL 97 N 4.02 0.00 -3.64 2.92 0.24 0.28 -0.49 118.33 121.66 1sq4 n VAL 97 Ca 0.08 -0.27 -0.08 0.00 -2.04 0.00 0.00 64.34 62.03 1sq4 n VAL 97 Cb 0.48 0.87 -0.07 0.00 -1.47 0.00 0.00 33.84 33.65 1sq4 n VAL 97 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1sq4 s GLU 98 N -2.05 0.53 0.55 7.34 2.12 -0.62 -4.50 118.70 122.08 1sq4 s GLU 98 Ca 0.02 0.70 0.00 0.00 0.36 0.00 0.00 54.97 56.06 1sq4 s GLU 98 Cb 0.07 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.68 1sq4 s GLU 98 CO 0.40 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 1sq4 n GLY 99 N 2.72 -2.13 3.36 -1.50 0.00 -1.26 0.28 105.19 106.67 1sq4 n GLY 99 Ca -0.14 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 1sq4 n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sq4 s GLU 100 N -0.16 2.21 -0.01 1.61 2.12 -1.26 -3.54 118.70 119.67 1sq4 s GLU 100 Ca 0.00 -0.87 0.08 0.00 0.36 0.00 0.00 54.97 54.54 1sq4 s GLU 100 Cb 0.00 -2.13 -0.02 0.00 0.26 0.00 0.00 34.13 32.24 1sq4 s GLU 100 CO 0.00 0.58 -0.24 -1.17 -0.54 0.00 0.00 175.26 173.88 1sq4 s LEU 101 N -0.66 2.06 -0.36 2.70 2.96 -1.26 -4.69 118.68 119.43 1sq4 s LEU 101 Ca 0.10 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1sq4 s LEU 101 Cb -0.10 -1.25 0.05 0.00 0.50 0.00 0.00 46.19 45.39 1sq4 s LEU 101 CO -0.01 0.29 0.16 -0.55 -1.32 0.00 0.00 176.35 174.93 1sq4 s SER 102 N -0.64 5.47 -0.16 3.68 0.15 -0.18 -4.33 113.70 117.69 1sq4 s SER 102 Ca 0.09 -1.21 -0.05 0.00 0.70 0.00 0.00 55.95 55.49 1sq4 s SER 102 Cb -0.09 -1.92 -0.03 0.00 -1.71 0.00 0.00 66.02 62.26 1sq4 s SER 102 CO -0.01 -0.39 -0.01 -0.22 1.20 0.00 0.00 173.24 173.82 1sq4 s LEU 103 N 1.43 3.43 -0.61 3.45 2.96 -0.66 -1.21 118.68 127.48 1sq4 s LEU 103 Ca 0.00 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1sq4 s LEU 103 Cb -0.20 -1.84 0.16 0.00 0.50 0.00 0.00 46.19 44.81 1sq4 s LEU 103 CO 0.03 0.19 0.41 -0.89 -1.32 0.00 0.00 176.35 174.77 1sq4 s THR 104 N 0.26 3.52 -0.35 3.68 2.01 0.34 0.07 115.64 125.17 1sq4 s THR 104 Ca -0.01 -3.01 -0.12 0.00 0.31 0.00 0.00 61.69 58.86 1sq4 s THR 104 Cb -0.13 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.06 1sq4 s THR 104 CO 0.02 -0.86 0.22 -0.22 -0.69 0.00 0.00 174.62 173.09 1sq4 s LEU 105 N -0.09 4.55 -1.13 4.42 2.96 0.15 -1.83 118.68 127.70 1sq4 s LEU 105 Ca 0.17 -0.64 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 1sq4 s LEU 105 Cb -0.21 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.40 1sq4 s LEU 105 CO -0.03 -0.29 0.73 1.67 -1.32 0.00 0.00 176.35 177.11 1sq4 n GLN 106 N 5.06 -5.19 0.00 1.98 -0.06 -0.83 -1.80 117.38 116.55 1sq4 n GLN 106 Ca -0.13 0.68 0.00 0.00 -2.00 0.00 0.00 57.00 55.55 1sq4 n GLN 106 Cb 0.48 -5.15 0.00 0.00 -4.06 0.00 0.00 30.24 21.51 1sq4 n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sq4 n GLY 107 N -1.54 2.90 3.75 1.69 0.00 -1.26 -4.99 105.19 105.75 1sq4 n GLY 107 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1sq4 n GLY 107 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sq4 s GLN 108 N -0.06 4.27 -0.00 1.61 2.00 -0.74 -5.06 119.66 121.67 1sq4 s GLN 108 Ca 0.00 0.55 -0.02 0.00 -2.00 0.00 0.00 55.36 53.89 1sq4 s GLN 108 Cb 0.00 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.40 1sq4 s GLN 108 CO 0.00 0.32 0.18 0.08 -0.50 0.00 0.00 175.29 175.37 1sq4 s VAL 109 N 0.06 5.37 -0.01 1.34 1.01 -1.26 0.32 120.40 127.23 1sq4 s VAL 109 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1sq4 s VAL 109 Cb -0.17 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1sq4 s VAL 109 CO 0.13 0.31 0.00 -1.00 0.00 0.00 0.00 175.10 174.54 1sq4 s HIS 110 N -1.33 0.09 0.52 5.22 3.76 0.11 -4.97 115.29 118.70 1sq4 s HIS 110 Ca 0.28 0.03 0.08 0.00 -0.15 0.00 0.00 55.06 55.29 1sq4 s HIS 110 Cb -0.13 -0.15 0.06 0.00 1.11 0.00 0.00 32.58 33.47 1sq4 s HIS 110 CO 0.19 -0.04 0.72 0.00 -0.85 0.00 0.00 174.74 174.76 1sq4 s ALA 111 N 0.42 4.51 0.13 -1.40 0.00 -1.26 -1.66 121.76 122.50 1sq4 s ALA 111 Ca -0.04 -1.87 -0.26 0.00 0.00 0.00 0.00 51.96 49.80 1sq4 s ALA 111 Cb -0.06 -1.61 0.07 0.00 0.00 0.00 0.00 23.12 21.52 1sq4 s ALA 111 CO -0.01 -0.67 1.01 -0.65 0.00 0.00 0.00 175.76 175.44 1sq4 s GLN 113 N -4.59 1.08 0.07 0.00 -1.52 -1.26 -4.92 119.66 108.52 1sq4 s GLN 113 Ca 0.59 -0.61 -0.36 0.00 -1.95 0.00 0.00 55.36 53.04 1sq4 s GLN 113 Cb -0.08 0.36 -0.15 0.00 -0.22 0.00 0.00 33.01 32.92 1sq4 s GLN 113 CO 0.37 -0.50 1.49 -2.30 -0.25 0.00 0.00 175.29 174.10 1sq4 n PRO 114 N -0.49 1.53 0.00 2.91 -0.02 -1.23 0.18 135.00 137.89 1sq4 n PRO 114 Ca -0.06 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1sq4 n PRO 114 Cb 0.61 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1sq4 n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sq4 n GLY 115 N 3.07 0.42 3.72 -1.23 0.00 0.35 -4.98 105.19 106.55 1sq4 n GLY 115 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1sq4 n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sq4 s GLY 116 N -1.34 2.16 0.05 -0.02 0.00 0.13 -2.09 107.32 106.20 1sq4 s GLY 116 Ca 0.00 1.13 0.09 0.00 0.00 0.00 0.00 44.72 45.94 1sq4 s GLY 116 CO 0.00 2.25 -0.25 -0.47 0.00 0.00 0.00 173.10 174.62 1sq4 s TYR 117 N 0.70 2.23 -0.19 1.90 5.04 -0.46 -1.24 117.35 125.32 1sq4 s TYR 117 Ca 0.62 -0.40 -0.12 0.00 -2.44 0.00 0.00 57.07 54.72 1sq4 s TYR 117 Cb -0.37 -1.32 0.06 0.00 0.35 0.00 0.00 41.96 40.68 1sq4 s TYR 117 CO 0.34 0.14 0.48 0.00 -1.34 0.00 0.00 175.55 175.17 1sq4 s ALA 118 N -0.83 -1.24 -0.26 3.97 0.00 0.36 -1.80 121.76 121.96 1sq4 s ALA 118 Ca 0.11 1.66 -0.06 0.00 0.00 0.00 0.00 51.96 53.67 1sq4 s ALA 118 Cb -0.10 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 1sq4 s ALA 118 CO 0.02 -0.28 0.05 0.12 0.00 0.00 0.00 175.76 175.67 1sq4 s PHE 119 N 1.18 3.08 -0.35 0.00 2.19 -0.58 0.06 117.98 123.55 1sq4 s PHE 119 Ca -0.07 -0.74 -0.09 0.00 0.33 0.00 0.00 56.93 56.35 1sq4 s PHE 119 Cb -0.07 -2.21 0.03 0.00 -1.31 0.00 0.00 43.02 39.46 1sq4 s PHE 119 CO -0.11 -0.48 0.16 0.42 1.83 0.00 0.00 175.22 177.05 1sq4 s ILE 120 N 1.54 4.32 0.74 3.12 1.01 -0.13 -3.02 121.20 128.78 1sq4 s ILE 120 Ca 0.05 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 1sq4 s ILE 120 Cb -0.16 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 38.97 1sq4 s ILE 120 CO 0.02 -0.17 1.11 -2.16 0.00 0.00 0.00 174.94 173.73 1sq4 s PRO 121 N 1.51 2.34 0.34 2.79 0.04 -1.26 -0.72 135.00 140.04 1sq4 s PRO 121 Ca 0.01 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 1sq4 s PRO 121 Cb -0.19 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.34 1sq4 s PRO 121 CO 0.05 -1.60 1.48 -0.35 0.04 0.00 0.00 177.00 176.62 1sq4 n PRO 122 N -3.18 2.55 0.00 0.56 -0.04 -1.26 -2.36 135.00 131.28 1sq4 n PRO 122 Ca 0.10 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1sq4 n PRO 122 Cb 0.52 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1sq4 n PRO 122 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sq4 n GLY 123 N 1.04 2.75 3.59 0.55 0.00 -0.46 -4.98 105.19 107.69 1sq4 n GLY 123 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1sq4 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sq4 n ALA 124 N -0.09 -0.19 -2.66 4.61 0.00 -0.99 -4.92 120.51 116.26 1sq4 n ALA 124 Ca 0.00 0.37 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 1sq4 n ALA 124 Cb 0.00 -2.02 -0.07 0.00 0.00 0.00 0.00 19.45 17.35 1sq4 n ALA 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sq4 s ASP 125 N -0.58 6.45 0.36 0.00 1.01 -1.26 -4.99 116.67 117.66 1sq4 s ASP 125 Ca 0.59 0.54 -0.01 0.00 0.71 0.00 0.00 52.55 54.38 1sq4 s ASP 125 Cb -0.68 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.00 1sq4 s ASP 125 CO 0.60 -0.13 0.47 -0.72 0.21 0.00 0.00 175.17 175.59 1sq4 s TYR 126 N 1.56 1.18 -0.28 4.23 1.13 -1.26 -1.96 117.35 121.96 1sq4 s TYR 126 Ca 0.20 -1.37 -0.23 0.00 -1.41 0.00 0.00 57.07 54.26 1sq4 s TYR 126 Cb -0.15 -0.15 0.12 0.00 -1.10 0.00 0.00 41.96 40.68 1sq4 s TYR 126 CO 0.09 -1.14 0.99 -1.59 -2.51 0.00 0.00 175.55 171.39 1sq4 s LYS 127 N -2.97 0.52 0.16 -3.49 -2.85 -0.76 -4.64 119.74 105.69 1sq4 s LYS 127 Ca 0.32 0.66 0.07 0.00 -1.00 0.00 0.00 55.97 56.02 1sq4 s LYS 127 Cb -0.00 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 1sq4 s LYS 127 CO 0.22 -0.07 -0.01 0.14 0.10 0.00 0.00 175.35 175.73 1sq4 s VAL 128 N 0.46 3.71 -0.26 1.79 -7.23 -1.06 -0.50 120.40 117.32 1sq4 s VAL 128 Ca 0.01 -1.38 -0.25 0.00 -1.81 0.00 0.00 61.98 58.54 1sq4 s VAL 128 Cb -0.05 -2.85 0.08 0.00 0.56 0.00 0.00 36.38 34.13 1sq4 s VAL 128 CO -0.08 -0.07 0.80 -0.60 -0.31 0.00 0.00 175.10 174.84 1sq4 s ARG 129 N -2.83 0.77 -0.47 4.82 6.06 -0.35 -0.80 118.95 126.15 1sq4 s ARG 129 Ca 0.27 0.85 -0.14 0.00 -2.50 0.00 0.00 55.73 54.20 1sq4 s ARG 129 Cb -0.10 0.38 0.09 0.00 0.06 0.00 0.00 34.95 35.38 1sq4 s ARG 129 CO 0.18 -0.11 0.38 1.21 -2.50 0.00 0.00 175.30 174.47 1sq4 s ASN 130 N 0.22 6.02 -0.01 -2.12 3.04 0.15 -1.01 114.94 121.23 1sq4 s ASN 130 Ca 0.00 -1.48 0.17 0.00 0.04 0.00 0.00 52.86 51.59 1sq4 s ASN 130 Cb -0.05 -2.14 0.49 0.00 -1.54 0.00 0.00 41.25 38.02 1sq4 s ASN 130 CO -0.00 -0.66 1.40 0.35 -3.04 0.00 0.00 177.10 175.15 1sq4 n THR 131 N 5.13 0.79 -2.78 -5.21 -2.24 -1.26 -0.61 114.28 108.10 1sq4 n THR 131 Ca -0.12 -0.75 -0.21 0.00 -2.27 0.00 0.00 64.05 60.70 1sq4 n THR 131 Cb 0.43 0.33 0.07 0.00 -2.10 0.00 0.00 70.33 69.06 1sq4 n THR 131 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sq4 s THR 132 N -1.32 2.29 -2.01 4.28 -4.23 -1.26 -4.86 115.64 108.53 1sq4 s THR 132 Ca 0.37 -0.78 0.22 0.00 -1.18 0.00 0.00 61.69 60.32 1sq4 s THR 132 Cb 0.20 -2.51 0.62 0.00 1.34 0.00 0.00 72.50 72.15 1sq4 s THR 132 CO 0.24 0.00 1.52 0.61 -0.54 0.00 0.00 174.62 176.45 1sq4 n GLY 133 N -2.48 2.31 3.59 3.99 0.00 -1.26 -3.76 105.19 107.58 1sq4 n GLY 133 Ca 0.14 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 1sq4 n GLY 133 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sq4 s GLN 134 N -1.06 1.95 0.45 1.61 2.00 -1.26 -4.83 119.66 118.53 1sq4 s GLN 134 Ca 0.47 -1.87 -0.22 0.00 -2.00 0.00 0.00 55.36 51.74 1sq4 s GLN 134 Cb 0.25 -1.80 -0.08 0.00 0.80 0.00 0.00 33.01 32.17 1sq4 s GLN 134 CO 0.32 0.11 1.06 -1.01 -0.50 0.00 0.00 175.29 175.28 1sq4 s HIS 135 N -2.58 3.06 -0.08 1.67 3.76 -1.26 -4.10 115.29 115.77 1sq4 s HIS 135 Ca 0.34 1.60 0.03 0.00 -0.15 0.00 0.00 55.06 56.88 1sq4 s HIS 135 Cb 0.02 -3.14 0.01 0.00 1.11 0.00 0.00 32.58 30.58 1sq4 s HIS 135 CO 0.18 -0.88 -0.18 0.99 -0.85 0.00 0.00 174.74 174.00 1sq4 s THR 136 N -1.79 1.58 -0.09 1.30 2.01 -0.49 -4.19 115.64 113.97 1sq4 s THR 136 Ca 0.64 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.90 1sq4 s THR 136 Cb -0.20 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 70.93 1sq4 s THR 136 CO 0.25 0.45 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.38 1sq4 s ARG 137 N 0.43 1.85 0.10 4.92 0.52 0.14 -0.22 118.95 126.70 1sq4 s ARG 137 Ca -0.15 -0.43 -0.05 0.00 -0.52 0.00 0.00 55.73 54.57 1sq4 s ARG 137 Cb -0.16 -1.60 -0.02 0.00 0.52 0.00 0.00 34.95 33.68 1sq4 s ARG 137 CO 0.06 -0.06 0.12 -0.59 0.02 0.00 0.00 175.30 174.85 1sq4 s PHE 138 N 0.96 0.41 0.08 -0.53 -0.71 -0.42 -0.55 117.98 117.22 1sq4 s PHE 138 Ca -0.08 -0.86 -0.09 0.00 -1.04 0.00 0.00 56.93 54.86 1sq4 s PHE 138 Cb -0.15 -0.22 -0.06 0.00 -1.21 0.00 0.00 43.02 41.38 1sq4 s PHE 138 CO -0.00 -0.52 0.39 -1.01 -1.34 0.00 0.00 175.22 172.74 1sq4 s HIS 139 N -3.93 3.57 -0.21 3.49 3.76 0.12 -0.21 115.29 121.88 1sq4 s HIS 139 Ca 0.11 0.76 -0.01 0.00 -0.15 0.00 0.00 55.06 55.76 1sq4 s HIS 139 Cb 0.06 -2.14 0.06 0.00 1.11 0.00 0.00 32.58 31.67 1sq4 s HIS 139 CO -0.07 0.51 0.00 -0.46 -0.85 0.00 0.00 174.74 173.88 1sq4 s TRP 140 N -1.42 1.58 -0.25 1.40 -0.11 0.47 -2.00 118.94 118.62 1sq4 s TRP 140 Ca 0.33 -1.23 -0.02 0.00 1.22 0.00 0.00 56.10 56.40 1sq4 s TRP 140 Cb -0.14 -1.26 0.02 0.00 -1.50 0.00 0.00 33.47 30.60 1sq4 s TRP 140 CO 0.18 -0.68 -0.04 0.42 -4.62 0.00 0.00 176.95 172.21 1sq4 s ILE 141 N 1.67 3.04 0.37 5.86 1.01 -0.83 -0.68 121.20 131.64 1sq4 s ILE 141 Ca -0.03 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.76 1sq4 s ILE 141 Cb -0.18 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1sq4 s ILE 141 CO -0.07 0.20 0.08 0.00 0.00 0.00 0.00 174.94 175.15 1sq4 s ARG 142 N 1.36 2.16 -0.26 2.79 1.70 -0.82 -1.38 118.95 124.50 1sq4 s ARG 142 Ca 0.01 -1.77 -0.27 0.00 -0.47 0.00 0.00 55.73 53.23 1sq4 s ARG 142 Cb -0.16 -1.96 0.15 0.00 -0.57 0.00 0.00 34.95 32.40 1sq4 s ARG 142 CO -0.04 0.05 1.16 0.21 -1.08 0.00 0.00 175.30 175.60 1sq4 s LYS 143 N -3.79 0.36 -0.38 3.89 2.20 -0.63 -2.62 119.74 118.77 1sq4 s LYS 143 Ca 0.37 0.29 -0.29 0.00 -0.36 0.00 0.00 55.97 55.98 1sq4 s LYS 143 Cb 0.01 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1sq4 s LYS 143 CO 0.21 -0.07 1.46 -1.01 -0.36 0.00 0.00 175.35 175.57 1sq4 s HIS 144 N -0.29 2.34 0.40 4.03 3.76 -1.26 -0.36 115.29 123.90 1sq4 s HIS 144 Ca 0.04 0.68 -0.27 0.00 -0.15 0.00 0.00 55.06 55.36 1sq4 s HIS 144 Cb -0.03 -4.23 -0.10 0.00 1.11 0.00 0.00 32.58 29.32 1sq4 s HIS 144 CO -0.07 -2.13 1.42 0.98 -0.85 0.00 0.00 174.74 174.09 1sq4 n TYR 145 N 8.86 2.71 -3.48 1.40 4.19 -0.54 -4.95 117.16 125.35 1sq4 n TYR 145 Ca 0.17 0.47 -0.43 0.00 3.31 0.00 0.00 57.90 61.42 1sq4 n TYR 145 Cb 0.48 -2.48 -0.08 0.00 0.49 0.00 0.00 39.34 37.75 1sq4 n TYR 145 CO 0.00 0.00 0.00 -1.14 0.91 0.00 0.00 176.86 176.63 1sq4 s GLN 146 N -2.18 2.75 0.70 2.98 0.74 -1.26 -5.02 119.66 118.37 1sq4 s GLN 146 Ca 0.57 -1.55 -0.13 0.00 0.05 0.00 0.00 55.36 54.30 1sq4 s GLN 146 Cb -0.49 -4.00 0.02 0.00 1.10 0.00 0.00 33.01 29.64 1sq4 s GLN 146 CO 0.61 -1.10 1.10 0.21 -0.55 0.00 0.00 175.29 175.56 1sq4 s LYS 147 N 1.50 2.62 -0.24 1.67 2.47 -1.26 -4.94 119.74 121.55 1sq4 s LYS 147 Ca 0.04 1.29 -0.14 0.00 -1.56 0.00 0.00 55.97 55.60 1sq4 s LYS 147 Cb -0.25 -1.93 0.07 0.00 -1.46 0.00 0.00 37.83 34.25 1sq4 s LYS 147 CO 0.03 -1.38 0.59 0.54 0.16 0.00 0.00 175.35 175.29 1sq4 s VAL 148 N -2.57 -0.01 0.24 4.02 0.11 -1.26 -5.12 120.40 115.81 1sq4 s VAL 148 Ca 0.64 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.42 1sq4 s VAL 148 Cb -0.19 -0.86 -0.14 0.00 -1.53 0.00 0.00 36.38 33.65 1sq4 s VAL 148 CO 0.47 0.01 1.16 0.47 -3.33 0.00 0.00 175.10 173.89 1sq4 n ASP 149 N 4.29 1.70 0.00 3.54 10.43 -1.26 -1.48 116.55 133.76 1sq4 n ASP 149 Ca -0.21 1.16 0.00 0.00 2.57 0.00 0.00 54.79 58.31 1sq4 n ASP 149 Cb 0.58 -1.30 0.00 0.00 1.84 0.00 0.00 41.12 42.23 1sq4 n ASP 149 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sq4 n GLY 150 N 1.67 2.99 3.37 0.44 0.00 -1.26 -4.95 105.19 107.45 1sq4 n GLY 150 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1sq4 n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sq4 s VAL 151 N -1.24 4.76 0.79 1.61 1.01 -0.55 -5.08 120.40 121.70 1sq4 s VAL 151 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 1sq4 s VAL 151 Cb 0.00 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.71 1sq4 s VAL 151 CO 0.00 -0.37 1.12 -2.16 0.00 0.00 0.00 175.10 173.70 1sq4 s PRO 152 N 1.57 1.96 0.69 2.72 0.04 -1.26 -4.41 135.00 136.30 1sq4 s PRO 152 Ca 0.03 1.37 -0.17 0.00 0.04 0.00 0.00 61.00 62.28 1sq4 s PRO 152 Cb -0.21 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1sq4 s PRO 152 CO 0.06 -1.90 1.19 1.28 0.04 0.00 0.00 177.00 177.68 1sq4 n LEU 153 N -3.49 5.11 -4.78 -3.56 4.77 -1.26 -4.68 117.00 109.11 1sq4 n LEU 153 Ca 0.11 0.75 -0.35 0.00 -0.03 0.00 0.00 56.01 56.49 1sq4 n LEU 153 Cb 0.52 -1.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.08 1sq4 n LEU 153 CO 0.51 -1.38 0.76 -2.16 -1.33 0.00 0.00 177.39 173.78 1sq4 s PRO 154 N -3.45 3.79 -0.02 3.23 0.04 -1.26 -5.01 135.00 132.32 1sq4 s PRO 154 Ca 0.79 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 63.23 1sq4 s PRO 154 Cb -0.36 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 1sq4 s PRO 154 CO 0.44 -0.47 0.36 -1.21 0.04 0.00 0.00 177.00 176.16 1sq4 s GLU 155 N -2.96 3.84 1.07 4.56 2.02 -1.26 -4.71 118.70 121.27 1sq4 s GLU 155 Ca 0.65 0.31 -0.12 0.00 0.02 0.00 0.00 54.97 55.84 1sq4 s GLU 155 Cb -0.22 -3.22 0.23 0.00 0.10 0.00 0.00 34.13 31.03 1sq4 s GLU 155 CO 0.26 0.70 1.06 0.00 0.02 0.00 0.00 175.26 177.30 1sq4 s ALA 156 N -1.04 0.24 -0.27 5.21 0.00 -1.26 -4.93 121.76 119.72 1sq4 s ALA 156 Ca 0.22 -0.03 -0.32 0.00 0.00 0.00 0.00 51.96 51.83 1sq4 s ALA 156 Cb -0.16 -3.26 0.17 0.00 0.00 0.00 0.00 23.12 19.88 1sq4 s ALA 156 CO 0.12 -3.38 1.32 -0.59 0.00 0.00 0.00 175.76 173.23 1sq4 s PHE 157 N -2.61 -0.07 -0.06 0.00 -0.12 -1.17 -4.99 117.98 108.97 1sq4 s PHE 157 Ca 0.67 0.09 0.00 0.00 -0.05 0.00 0.00 56.93 57.65 1sq4 s PHE 157 Cb -0.23 0.50 0.02 0.00 -0.63 0.00 0.00 43.02 42.68 1sq4 s PHE 157 CO 0.62 -0.07 -0.04 0.08 -0.05 0.00 0.00 175.22 175.75 1sq4 s VAL 158 N -1.40 0.60 0.00 -2.49 1.01 -1.26 -1.53 120.40 115.32 1sq4 s VAL 158 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1sq4 s VAL 158 Cb -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1sq4 s VAL 158 CO -0.06 0.26 0.00 1.07 0.00 0.00 0.00 175.10 176.37 1sq4 n THR 159 N 4.38 0.00 -3.72 3.92 5.66 -0.75 -5.02 114.28 118.76 1sq4 n THR 159 Ca -0.19 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.68 1sq4 n THR 159 Cb 0.51 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.15 1sq4 n THR 159 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1sq4 s ASN 160 N 0.42 -0.12 0.38 1.09 3.84 -1.26 -1.35 114.94 117.94 1sq4 s ASN 160 Ca 0.00 0.52 0.16 0.00 0.21 0.00 0.00 52.86 53.75 1sq4 s ASN 160 Cb 0.00 0.44 1.03 0.00 -0.55 0.00 0.00 41.25 42.18 1sq4 s ASN 160 CO 0.00 -0.18 1.77 1.05 -2.79 0.00 0.00 177.10 176.95 1sq4 h GLU 161 N 7.43 0.45 0.00 0.43 -0.00 -1.79 0.62 114.58 121.72 1sq4 h GLU 161 Ca -0.35 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.98 1sq4 h GLU 161 Cb 1.15 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.80 1sq4 h GLU 161 CO 0.33 0.30 0.00 1.04 -0.00 0.00 0.00 179.01 180.67 1sq4 n GLN 162 N -4.67 0.02 -0.14 1.06 6.02 -1.26 -0.65 117.38 117.75 1sq4 n GLN 162 Ca 0.25 0.38 0.07 0.00 -0.01 0.00 0.00 57.00 57.68 1sq4 n GLN 162 Cb 0.81 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.72 1sq4 n GLN 162 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1sq4 n ASP 163 N -1.43 2.79 -4.19 1.08 10.43 0.22 -4.92 116.55 120.53 1sq4 n ASP 163 Ca 0.01 -1.86 -0.34 0.00 2.57 0.00 0.00 54.79 55.17 1sq4 n ASP 163 Cb 0.04 -0.19 -0.15 0.00 1.84 0.00 0.00 41.12 42.66 1sq4 n ASP 163 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1sq4 s ILE 164 N -1.03 2.56 -0.24 0.53 1.01 0.18 -4.99 121.20 119.22 1sq4 s ILE 164 Ca 0.24 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 1sq4 s ILE 164 Cb 0.13 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 1sq4 s ILE 164 CO 0.18 0.47 1.48 -1.58 0.00 0.00 0.00 174.94 175.49 1sq4 s GLN 165 N 1.35 3.89 0.37 2.79 2.00 -1.26 -4.96 119.66 123.84 1sq4 s GLN 165 Ca 0.05 1.54 -0.28 0.00 -2.00 0.00 0.00 55.36 54.67 1sq4 s GLN 165 Cb -0.14 -3.96 -0.11 0.00 0.80 0.00 0.00 33.01 29.60 1sq4 s GLN 165 CO -0.09 -1.17 1.40 -0.35 -0.50 0.00 0.00 175.29 174.58 1sq4 n PRO 166 N 7.44 2.41 -2.91 1.67 -0.04 -1.26 -4.90 135.00 137.41 1sq4 n PRO 166 Ca 0.17 0.85 -0.43 0.00 -0.04 0.00 0.00 63.50 64.05 1sq4 n PRO 166 Cb 0.46 -2.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.34 1sq4 n PRO 166 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1sq4 s LEU 167 N -1.68 4.13 0.00 1.53 0.20 0.31 -4.81 118.68 118.36 1sq4 s LEU 167 Ca 0.55 0.11 0.00 0.00 0.69 0.00 0.00 54.13 55.48 1sq4 s LEU 167 Cb -0.51 -3.07 0.00 0.00 -0.43 0.00 0.00 46.19 42.18 1sq4 s LEU 167 CO 0.63 -0.92 0.00 0.55 -0.29 0.00 0.00 176.35 176.32 1sq4 n VAL 168 N 6.15 0.00 -3.36 1.68 3.14 -1.26 -0.65 118.33 124.02 1sq4 n VAL 168 Ca 0.04 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.16 1sq4 n VAL 168 Cb 0.48 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.19 1sq4 n VAL 168 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1sq4 n PRO 170 N 0.00 2.25 -3.28 1.45 -0.04 -1.26 -4.96 135.00 129.16 1sq4 n PRO 170 Ca 0.00 -4.43 0.00 0.00 -0.04 0.00 0.00 63.50 59.03 1sq4 n PRO 170 Cb 0.00 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1sq4 n PRO 170 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sq4 n ASP 171 N 0.89 0.00 -3.94 3.54 3.85 -1.26 -5.04 116.55 114.59 1sq4 n ASP 171 Ca 0.29 0.00 -0.31 0.00 -0.71 0.00 0.00 54.79 54.06 1sq4 n ASP 171 Cb 0.43 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.19 1sq4 n ASP 171 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 1sq4 n THR 172 N 2.51 -1.49 -3.73 2.12 5.66 -1.26 0.06 114.28 118.15 1sq4 n THR 172 Ca 0.00 -0.41 -0.27 0.00 -3.05 0.00 0.00 64.05 60.32 1sq4 n THR 172 Cb 0.00 -1.31 -0.05 0.00 -1.55 0.00 0.00 70.33 67.42 1sq4 n THR 172 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1sq4 n GLU 173 N -3.86 -1.50 -3.09 1.09 4.71 -1.26 0.36 120.64 117.09 1sq4 n GLU 173 Ca -0.14 0.09 -0.22 0.00 -0.01 0.00 0.00 57.16 56.88 1sq4 n GLU 173 Cb 0.44 -4.47 0.02 0.00 -1.01 0.00 0.00 31.44 26.42 1sq4 n GLU 173 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sq4 n GLY 174 N -0.84 -0.51 0.03 0.62 0.00 0.11 -4.85 105.19 99.75 1sq4 n GLY 174 Ca 0.07 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1sq4 n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sq4 n ARG 175 N -3.86 0.23 -4.95 1.61 1.74 0.16 -4.87 116.66 106.72 1sq4 n ARG 175 Ca -0.09 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.67 1sq4 n ARG 175 Cb 0.60 -1.58 -0.15 0.00 -1.02 0.00 0.00 32.46 30.31 1sq4 n ARG 175 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1sq4 s TRP 176 N -3.16 2.68 0.28 -1.55 -0.00 -1.26 0.19 118.94 116.12 1sq4 s TRP 176 Ca 0.05 -0.58 -0.02 0.00 -0.00 0.00 0.00 56.10 55.55 1sq4 s TRP 176 Cb 0.15 -1.72 -0.02 0.00 -0.00 0.00 0.00 33.47 31.88 1sq4 s TRP 176 CO 0.79 -0.13 0.34 -1.54 -0.00 0.00 0.00 176.95 176.40 1sq4 s SER 177 N -0.03 0.62 0.01 5.86 1.04 -0.36 -4.67 113.70 116.17 1sq4 s SER 177 Ca -0.05 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 54.99 1sq4 s SER 177 Cb -0.14 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1sq4 s SER 177 CO 0.04 -1.09 -0.03 -0.89 0.98 0.00 0.00 173.24 172.26 1sq4 s THR 178 N -3.65 0.14 -0.25 2.02 2.01 0.18 -0.47 115.64 115.61 1sq4 s THR 178 Ca 0.33 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.73 1sq4 s THR 178 Cb 0.02 -0.23 0.04 0.00 0.01 0.00 0.00 72.50 72.34 1sq4 s THR 178 CO 0.17 -0.29 -0.08 0.42 -0.69 0.00 0.00 174.62 174.15 1sq4 s THR 179 N -0.91 2.67 0.35 -0.82 -4.23 0.34 0.11 115.64 113.15 1sq4 s THR 179 Ca -0.09 -1.19 0.07 0.00 -1.18 0.00 0.00 61.69 59.30 1sq4 s THR 179 Cb -0.06 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 1sq4 s THR 179 CO -0.00 0.14 0.33 -0.13 -0.54 0.00 0.00 174.62 174.42 1sq4 s ARG 180 N 1.27 2.75 0.00 3.99 0.52 -1.26 -1.65 118.95 124.56 1sq4 s ARG 180 Ca -0.02 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 53.90 1sq4 s ARG 180 Cb -0.17 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.78 1sq4 s ARG 180 CO -0.05 0.04 0.33 1.19 0.02 0.00 0.00 175.30 176.83 1sq4 n PHE 181 N -1.44 0.00 -3.93 -0.53 3.72 -1.26 -5.02 117.46 108.99 1sq4 n PHE 181 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1sq4 n PHE 181 Cb 0.60 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.04 1sq4 n PHE 181 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1sq4 s VAL 182 N -0.01 0.12 0.00 -4.37 1.01 -1.26 -5.14 120.40 110.75 1sq4 s VAL 182 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1sq4 s VAL 182 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1sq4 s VAL 182 CO 0.00 -0.56 0.00 -0.67 0.00 0.00 0.00 175.10 173.87 1sq4 n ASP 183 N 0.95 0.00 0.00 3.32 4.64 -1.26 -4.98 116.55 119.22 1sq4 n ASP 183 Ca -0.20 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.21 1sq4 n ASP 183 Cb 0.58 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.66 1sq4 n ASP 183 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1sq4 n SER 185 N 0.00 0.00 -4.59 1.67 3.41 -1.26 -5.02 113.62 107.83 1sq4 n SER 185 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1sq4 n SER 185 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1sq4 n SER 185 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sq4 s ASP 186 N 0.00 3.55 0.00 4.04 3.68 -1.26 -5.07 116.67 121.61 1sq4 s ASP 186 Ca 0.00 0.70 0.00 0.00 2.13 0.00 0.00 52.55 55.38 1sq4 s ASP 186 Cb 0.00 -1.09 0.00 0.00 -1.45 0.00 0.00 42.92 40.38 1sq4 s ASP 186 CO 0.00 -2.50 0.00 0.54 0.13 0.00 0.00 175.17 173.34 1sq4 n ARG 188 N -3.69 0.00 -3.42 4.34 1.74 -1.26 -4.84 116.66 109.53 1sq4 n ARG 188 Ca 0.10 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.80 1sq4 n ARG 188 Cb 0.60 -2.01 -0.06 0.00 -1.02 0.00 0.00 32.46 29.97 1sq4 n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1sq4 s HIS 189 N 0.00 3.75 -0.31 -1.55 3.76 -1.26 -4.06 115.29 115.63 1sq4 s HIS 189 Ca 0.00 1.09 0.07 0.00 -0.15 0.00 0.00 55.06 56.07 1sq4 s HIS 189 Cb 0.00 -2.36 0.46 0.00 1.11 0.00 0.00 32.58 31.79 1sq4 s HIS 189 CO 0.00 0.62 1.33 -0.40 -0.85 0.00 0.00 174.74 175.44 1sq4 n ASP 190 N 1.73 3.90 -3.68 1.40 5.75 -1.26 -4.67 116.55 119.72 1sq4 n ASP 190 Ca -0.12 -3.80 -0.10 0.00 -0.01 0.00 0.00 54.79 50.76 1sq4 n ASP 190 Cb 0.52 -0.50 -0.09 0.00 -1.03 0.00 0.00 41.12 40.01 1sq4 n ASP 190 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1sq4 s HIS 192 N -3.47 -0.75 -0.37 2.11 3.76 -0.27 -1.17 115.29 115.14 1sq4 s HIS 192 Ca 0.48 1.57 0.04 0.00 -0.15 0.00 0.00 55.06 57.00 1sq4 s HIS 192 Cb 0.41 0.38 0.11 0.00 1.11 0.00 0.00 32.58 34.58 1sq4 s HIS 192 CO -0.00 -0.40 0.09 0.08 -0.85 0.00 0.00 174.74 173.67 1sq4 s VAL 193 N 1.35 2.37 0.50 -0.90 1.01 -1.26 -2.10 120.40 121.37 1sq4 s VAL 193 Ca -0.09 -2.51 0.03 0.00 0.00 0.00 0.00 61.98 59.42 1sq4 s VAL 193 Cb -0.07 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1sq4 s VAL 193 CO -0.14 -0.64 0.23 0.59 0.00 0.00 0.00 175.10 175.15 1sq4 n ASN 194 N 4.07 2.92 -3.90 3.32 3.02 0.17 -4.62 115.26 120.24 1sq4 n ASN 194 Ca 0.04 -2.91 -0.27 0.00 -0.03 0.00 0.00 54.58 51.41 1sq4 n ASN 194 Cb 0.40 0.11 -0.17 0.00 -0.61 0.00 0.00 39.78 39.51 1sq4 n ASN 194 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sq4 s ILE 195 N -2.63 1.04 -0.14 2.41 1.01 -0.66 -0.96 121.20 121.27 1sq4 s ILE 195 Ca 0.18 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.29 1sq4 s ILE 195 Cb -0.01 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1sq4 s ILE 195 CO 0.11 0.32 0.48 -0.69 0.00 0.00 0.00 174.94 175.16 1sq4 s VAL 196 N 1.69 5.17 -0.06 2.92 1.01 -0.89 -0.50 120.40 129.74 1sq4 s VAL 196 Ca 0.04 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.97 1sq4 s VAL 196 Cb -0.13 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1sq4 s VAL 196 CO -0.08 0.29 -0.11 0.20 0.00 0.00 0.00 175.10 175.39 1sq4 s ASN 197 N 0.78 4.27 -0.11 3.32 0.01 0.38 -2.14 114.94 121.45 1sq4 s ASN 197 Ca 0.25 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1sq4 s ASN 197 Cb -0.15 -0.99 0.02 0.00 0.41 0.00 0.00 41.25 40.54 1sq4 s ASN 197 CO 0.10 0.35 -0.08 -0.36 -1.51 0.00 0.00 177.10 175.59 1sq4 s PHE 198 N -0.74 1.47 0.54 2.20 0.40 0.63 -1.23 117.98 121.26 1sq4 s PHE 198 Ca 0.11 -0.71 -0.16 0.00 -0.60 0.00 0.00 56.93 55.58 1sq4 s PHE 198 Cb -0.11 -1.20 -0.07 0.00 0.51 0.00 0.00 43.02 42.15 1sq4 s PHE 198 CO 0.01 -0.47 1.00 -1.21 0.70 0.00 0.00 175.22 175.24 1sq4 s GLU 199 N 1.53 3.85 0.00 0.44 0.41 0.13 -1.52 118.70 123.54 1sq4 s GLU 199 Ca 0.02 0.94 0.00 0.00 -0.41 0.00 0.00 54.97 55.52 1sq4 s GLU 199 Cb -0.13 -2.12 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 1sq4 s GLU 199 CO -0.06 -0.35 0.14 -0.35 -0.49 0.00 0.00 175.26 174.14 1sq4 n PRO 200 N -1.78 0.23 0.00 0.39 -0.04 -1.26 -4.61 135.00 127.94 1sq4 n PRO 200 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1sq4 n PRO 200 Cb 0.54 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1sq4 n PRO 200 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sq4 n GLY 201 N 0.50 -1.66 0.00 0.55 0.00 -1.26 -4.79 105.19 98.53 1sq4 n GLY 201 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1sq4 n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sq4 n GLY 202 N 1.83 2.19 3.73 -0.02 0.00 -1.26 -4.82 105.19 106.84 1sq4 n GLY 202 Ca 0.00 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 1sq4 n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sq4 s VAL 203 N 2.79 5.15 -0.47 1.61 1.01 -1.26 -4.17 120.40 125.06 1sq4 s VAL 203 Ca 0.00 0.99 -0.09 0.00 0.00 0.00 0.00 61.98 62.87 1sq4 s VAL 203 Cb 0.00 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.67 1sq4 s VAL 203 CO 0.00 0.35 0.34 -0.63 0.00 0.00 0.00 175.10 175.16 1sq4 s ILE 204 N 0.44 4.23 0.41 2.22 1.09 -0.09 -4.95 121.20 124.56 1sq4 s ILE 204 Ca 0.27 -1.74 0.07 0.00 -1.10 0.00 0.00 60.65 58.15 1sq4 s ILE 204 Cb -0.16 -3.77 0.26 0.00 -1.06 0.00 0.00 42.46 37.74 1sq4 s ILE 204 CO 0.11 -0.75 2.06 1.55 -0.10 0.00 0.00 174.94 177.81 1sq4 h PRO 205 N 8.46 0.54 -4.02 2.79 0.13 -1.90 -1.96 132.00 136.03 1sq4 h PRO 205 Ca -0.21 -0.03 -0.61 0.00 -0.87 0.00 0.00 66.00 64.27 1sq4 h PRO 205 Cb 1.07 -0.12 -0.40 0.00 0.13 0.00 0.00 31.00 31.68 1sq4 h PRO 205 CO 0.85 0.36 -0.74 -0.06 -0.23 0.00 0.00 178.00 178.18 1sq4 s PHE 206 N -5.48 2.54 -1.04 1.56 0.40 -1.26 -4.45 117.98 110.26 1sq4 s PHE 206 Ca -0.08 -2.24 0.14 0.00 -0.60 0.00 0.00 56.93 54.15 1sq4 s PHE 206 Cb 0.17 -2.20 0.45 0.00 0.51 0.00 0.00 43.02 41.95 1sq4 s PHE 206 CO 0.73 -0.90 1.37 0.00 0.70 0.00 0.00 175.22 177.12 1sq4 n ALA 207 N 4.61 2.42 -2.29 5.36 0.00 0.21 -4.99 120.51 125.83 1sq4 n ALA 207 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 53.44 51.65 1sq4 n ALA 207 Cb 0.42 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 1sq4 n ALA 207 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1sq4 s GLU 208 N -1.33 4.48 -0.00 0.00 2.12 -1.25 -4.90 118.70 117.82 1sq4 s GLU 208 Ca 0.34 1.77 0.05 0.00 0.36 0.00 0.00 54.97 57.48 1sq4 s GLU 208 Cb 0.20 -3.32 -0.06 0.00 0.26 0.00 0.00 34.13 31.21 1sq4 s GLU 208 CO 0.19 -0.15 0.17 0.25 -0.54 0.00 0.00 175.26 175.18 1sq4 n THR 209 N 3.35 0.00 -4.01 -1.70 -2.24 -1.26 -5.01 114.28 103.42 1sq4 n THR 209 Ca 0.07 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1sq4 n THR 209 Cb 0.46 0.74 -0.13 0.00 -2.10 0.00 0.00 70.33 69.31 1sq4 n THR 209 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1sq4 s HIS 210 N -1.84 0.33 -1.35 4.78 5.65 -1.26 -5.21 115.29 116.39 1sq4 s HIS 210 Ca 0.00 -0.29 0.09 0.00 0.25 0.00 0.00 55.06 55.11 1sq4 s HIS 210 Cb 0.04 -0.21 0.34 0.00 -1.18 0.00 0.00 32.58 31.57 1sq4 s HIS 210 CO 0.21 -0.08 1.17 1.55 -0.65 0.00 0.00 174.74 176.95 1sq4 n VAL 211 N 2.25 0.87 -2.86 0.89 3.14 -1.26 -4.80 118.33 116.56 1sq4 n VAL 211 Ca -0.18 -0.56 -0.39 0.00 -2.96 0.00 0.00 64.34 60.25 1sq4 n VAL 211 Cb 0.57 -0.07 -0.06 0.00 -1.06 0.00 0.00 33.84 33.22 1sq4 n VAL 211 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1sq4 s GLU 213 N -1.68 4.66 0.13 1.45 1.03 -0.92 -0.15 118.70 123.22 1sq4 s GLU 213 Ca 0.24 1.30 -0.24 0.00 0.03 0.00 0.00 54.97 56.30 1sq4 s GLU 213 Cb 0.16 -3.14 0.07 0.00 -0.80 0.00 0.00 34.13 30.42 1sq4 s GLU 213 CO 0.12 0.48 0.70 -3.38 -1.33 0.00 0.00 175.26 171.84 1sq4 s HIS 214 N -1.29 -0.45 0.07 4.83 -3.43 -1.12 -4.68 115.29 109.22 1sq4 s HIS 214 Ca 0.41 0.23 0.05 0.00 -0.80 0.00 0.00 55.06 54.95 1sq4 s HIS 214 Cb -0.23 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.45 1sq4 s HIS 214 CO 0.28 -0.80 -0.02 0.20 -2.00 0.00 0.00 174.74 172.40 1sq4 s GLY 215 N -2.70 1.89 -0.10 -1.38 0.00 -1.15 -2.14 107.32 101.74 1sq4 s GLY 215 Ca 0.03 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.67 1sq4 s GLY 215 CO -0.10 -1.06 -0.16 1.08 0.00 0.00 0.00 173.10 172.86 1sq4 s LEU 216 N -2.14 1.76 -0.20 0.66 1.02 -1.26 -2.95 118.68 115.56 1sq4 s LEU 216 Ca 0.24 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 53.98 1sq4 s LEU 216 Cb -0.12 -1.07 0.05 0.00 0.02 0.00 0.00 46.19 45.07 1sq4 s LEU 216 CO 0.16 0.04 -0.08 -0.47 0.02 0.00 0.00 176.35 176.02 1sq4 s TYR 217 N 0.81 2.28 0.08 0.29 6.14 0.12 -4.33 117.35 122.75 1sq4 s TYR 217 Ca -0.10 -1.55 -0.31 0.00 0.64 0.00 0.00 57.07 55.75 1sq4 s TYR 217 Cb -0.16 -1.56 -0.08 0.00 0.42 0.00 0.00 41.96 40.59 1sq4 s TYR 217 CO 0.01 -0.73 1.47 0.08 0.64 0.00 0.00 175.55 177.02 1sq4 s VAL 218 N 1.44 3.26 -0.07 3.14 1.01 -0.59 0.16 120.40 128.74 1sq4 s VAL 218 Ca -0.02 0.82 0.16 0.00 0.00 0.00 0.00 61.98 62.94 1sq4 s VAL 218 Cb -0.17 -3.53 -0.24 0.00 0.00 0.00 0.00 36.38 32.44 1sq4 s VAL 218 CO -0.07 0.03 0.25 0.18 0.00 0.00 0.00 175.10 175.49 1sq4 n LEU 219 N 4.63 0.00 -3.56 3.92 4.77 0.11 -0.77 117.00 126.11 1sq4 n LEU 219 Ca 0.13 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 1sq4 n LEU 219 Cb 0.42 0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 1sq4 n LEU 219 CO 0.60 0.15 0.58 -0.70 -1.33 0.00 0.00 177.39 176.69 1sq4 s GLU 220 N -2.88 0.84 0.59 3.23 2.12 -0.98 -1.85 118.70 119.76 1sq4 s GLU 220 Ca -0.07 0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.54 1sq4 s GLU 220 Cb 0.09 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.87 1sq4 s GLU 220 CO 0.69 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 1sq4 n GLY 221 N 1.02 -2.12 3.02 -1.50 0.00 -1.23 -1.66 105.19 102.71 1sq4 n GLY 221 Ca -0.15 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 1sq4 n GLY 221 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sq4 s LYS 222 N -0.16 0.37 -0.10 1.61 2.20 -1.26 -1.99 119.74 120.42 1sq4 s LYS 222 Ca 0.00 -0.62 -0.31 0.00 -0.36 0.00 0.00 55.97 54.68 1sq4 s LYS 222 Cb 0.00 0.14 0.12 0.00 -1.51 0.00 0.00 37.83 36.58 1sq4 s LYS 222 CO 0.00 -0.07 1.02 0.00 -0.36 0.00 0.00 175.35 175.94 1sq4 s ALA 223 N -1.67 -1.93 -0.49 3.13 0.00 -0.68 -3.82 121.76 116.30 1sq4 s ALA 223 Ca -0.14 1.33 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 1sq4 s ALA 223 Cb -0.08 -0.01 0.10 0.00 0.00 0.00 0.00 23.12 23.13 1sq4 s ALA 223 CO -0.01 -0.58 0.42 0.08 0.00 0.00 0.00 175.76 175.67 1sq4 s VAL 224 N -2.48 5.01 0.22 0.00 1.01 -1.12 -1.19 120.40 121.86 1sq4 s VAL 224 Ca 0.05 -1.36 -0.10 0.00 0.00 0.00 0.00 61.98 60.58 1sq4 s VAL 224 Cb -0.01 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 1sq4 s VAL 224 CO -0.06 -0.71 0.55 -0.47 0.00 0.00 0.00 175.10 174.41 1sq4 s TYR 225 N 1.57 3.44 -0.45 5.22 5.04 -0.41 -2.01 117.35 129.76 1sq4 s TYR 225 Ca 0.04 0.89 -0.03 0.00 -2.44 0.00 0.00 57.07 55.52 1sq4 s TYR 225 Cb -0.27 -2.27 0.12 0.00 0.35 0.00 0.00 41.96 39.89 1sq4 s TYR 225 CO 0.04 0.28 0.25 0.50 -1.34 0.00 0.00 175.55 175.28 1sq4 s ARG 226 N -2.74 2.11 -0.67 4.97 6.06 0.18 -0.14 118.95 128.71 1sq4 s ARG 226 Ca 0.47 -1.93 -0.19 0.00 -2.50 0.00 0.00 55.73 51.57 1sq4 s ARG 226 Cb -0.11 -3.62 0.12 0.00 0.06 0.00 0.00 34.95 31.39 1sq4 s ARG 226 CO 0.21 -1.10 0.79 -0.51 -2.50 0.00 0.00 175.30 172.19 1sq4 s LEU 227 N 0.96 5.40 -0.27 -0.88 1.43 0.12 -1.73 118.68 123.69 1sq4 s LEU 227 Ca 0.10 -1.61 -0.19 0.00 -1.03 0.00 0.00 54.13 51.40 1sq4 s LEU 227 Cb -0.23 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.71 1sq4 s LEU 227 CO -0.04 -1.08 0.36 -3.20 0.23 0.00 0.00 176.35 172.61 1sq4 n ASN 228 N 6.25 -6.42 0.00 2.29 5.15 -0.71 -1.94 115.26 119.88 1sq4 n ASN 228 Ca -0.02 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 1sq4 n ASN 228 Cb 0.44 -2.44 0.00 0.00 -0.53 0.00 0.00 39.78 37.25 1sq4 n ASN 228 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1sq4 n GLN 229 N 0.41 0.00 -4.03 1.20 -0.06 -1.26 -4.92 117.38 108.71 1sq4 n GLN 229 Ca -0.02 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.63 1sq4 n GLN 229 Cb 0.52 -3.36 -0.14 0.00 -4.06 0.00 0.00 30.24 23.20 1sq4 n GLN 229 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1sq4 s ASP 230 N -2.49 4.24 -0.09 1.69 -0.00 -0.82 -5.10 116.67 114.11 1sq4 s ASP 230 Ca 0.00 -0.38 -0.19 0.00 -0.00 0.00 0.00 52.55 51.98 1sq4 s ASP 230 Cb 0.00 -1.72 -0.04 0.00 -0.00 0.00 0.00 42.92 41.16 1sq4 s ASP 230 CO 0.00 0.01 0.50 0.26 -0.00 0.00 0.00 175.17 175.95 1sq4 s TRP 231 N 1.29 3.55 -0.02 4.23 0.52 -1.26 0.13 118.94 127.38 1sq4 s TRP 231 Ca 0.03 0.96 -0.01 0.00 0.02 0.00 0.00 56.10 57.11 1sq4 s TRP 231 Cb -0.14 -2.56 0.02 0.00 -1.15 0.00 0.00 33.47 29.63 1sq4 s TRP 231 CO -0.02 0.21 0.05 0.14 0.02 0.00 0.00 176.95 177.35 1sq4 s VAL 232 N 0.43 -0.02 0.25 4.03 -7.23 0.80 -4.98 120.40 113.68 1sq4 s VAL 232 Ca 0.27 0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.23 1sq4 s VAL 232 Cb -0.16 -0.09 -0.09 0.00 0.56 0.00 0.00 36.38 36.60 1sq4 s VAL 232 CO 0.12 0.03 1.05 -1.61 -0.31 0.00 0.00 175.10 174.39 1sq4 s GLU 233 N 0.45 4.70 0.03 4.82 2.02 -1.26 -1.29 118.70 128.17 1sq4 s GLU 233 Ca -0.04 1.70 -0.01 0.00 0.02 0.00 0.00 54.97 56.65 1sq4 s GLU 233 Cb -0.05 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 1sq4 s GLU 233 CO -0.02 0.28 -0.02 0.14 0.02 0.00 0.00 175.26 175.66 1sq4 s VAL 234 N -1.03 0.16 0.24 2.63 -7.23 -0.33 -4.94 120.40 109.91 1sq4 s VAL 234 Ca 0.44 -1.32 -0.06 0.00 -1.81 0.00 0.00 61.98 59.23 1sq4 s VAL 234 Cb -0.30 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 35.78 1sq4 s VAL 234 CO 0.38 -0.73 0.33 -1.83 -0.31 0.00 0.00 175.10 172.94 1sq4 s GLU 235 N -2.60 1.46 -0.10 4.82 -1.05 -1.26 -1.69 118.70 118.28 1sq4 s GLU 235 Ca -0.05 -1.50 -0.40 0.00 -0.15 0.00 0.00 54.97 52.87 1sq4 s GLU 235 Cb -0.02 0.38 -0.17 0.00 -0.44 0.00 0.00 34.13 33.88 1sq4 s GLU 235 CO -0.05 -0.56 1.43 0.00 0.95 0.00 0.00 175.26 177.03 1sq4 n ALA 236 N -0.37 -1.31 0.00 -0.84 0.00 -0.84 -0.72 120.51 116.42 1sq4 n ALA 236 Ca 0.01 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1sq4 n ALA 236 Cb 0.63 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1sq4 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sq4 n GLY 237 N 2.97 2.49 3.82 0.00 0.00 0.05 -4.91 105.19 109.61 1sq4 n GLY 237 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1sq4 n GLY 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sq4 s ASP 238 N -0.53 5.98 0.32 1.61 1.01 0.10 -3.90 116.67 121.26 1sq4 s ASP 238 Ca 0.00 1.70 0.02 0.00 0.71 0.00 0.00 52.55 54.98 1sq4 s ASP 238 Cb 0.00 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1sq4 s ASP 238 CO 0.00 -1.03 0.08 0.33 0.21 0.00 0.00 175.17 174.76 1sq4 n PHE 239 N -2.11 0.31 -3.49 4.23 7.35 -0.70 -1.54 117.46 121.50 1sq4 n PHE 239 Ca 0.08 -1.89 0.02 0.00 -0.76 0.00 0.00 57.45 54.90 1sq4 n PHE 239 Cb 0.53 -0.07 -0.05 0.00 0.35 0.00 0.00 39.48 40.24 1sq4 n PHE 239 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 1sq4 s TRP 241 N -2.57 -0.20 -0.16 -5.13 -0.11 -0.85 -1.20 118.94 108.72 1sq4 s TRP 241 Ca 0.11 0.37 -0.03 0.00 1.22 0.00 0.00 56.10 57.77 1sq4 s TRP 241 Cb 0.01 0.12 -0.02 0.00 -1.50 0.00 0.00 33.47 32.07 1sq4 s TRP 241 CO 0.08 -0.10 -0.07 -0.51 -4.62 0.00 0.00 176.95 171.73 1sq4 s LEU 242 N 1.50 3.00 0.05 5.86 1.02 -0.91 -1.47 118.68 127.73 1sq4 s LEU 242 Ca -0.05 -0.25 -0.25 0.00 0.02 0.00 0.00 54.13 53.60 1sq4 s LEU 242 Cb -0.02 -1.72 -0.13 0.00 0.02 0.00 0.00 46.19 44.34 1sq4 s LEU 242 CO -0.13 0.12 1.38 0.03 0.02 0.00 0.00 176.35 177.77 1sq4 h ARG 243 N 7.05 -0.79 0.00 1.70 2.47 -1.26 -2.98 114.38 120.58 1sq4 h ARG 243 Ca -0.32 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1sq4 h ARG 243 Cb 1.19 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 1sq4 h ARG 243 CO 0.60 -0.52 0.00 0.00 0.56 0.00 0.00 179.97 180.60 1sq4 n ALA 244 N -2.53 0.00 -0.27 0.04 0.00 -1.26 -2.18 120.51 114.31 1sq4 n ALA 244 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1sq4 n ALA 244 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1sq4 n ALA 244 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sq4 n PHE 245 N -0.17 0.00 -1.47 0.00 3.72 0.79 -4.88 117.46 115.46 1sq4 n PHE 245 Ca 0.00 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.91 1sq4 n PHE 245 Cb 0.00 -0.80 -0.06 0.00 -0.94 0.00 0.00 39.48 37.67 1sq4 n PHE 245 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sq4 n PRO 247 N 8.31 0.74 -4.00 0.00 -0.02 -1.26 -4.77 135.00 133.99 1sq4 n PRO 247 Ca 0.39 0.27 -0.18 0.00 -2.02 0.00 0.00 63.50 61.97 1sq4 n PRO 247 Cb 0.27 -1.73 -0.16 0.00 -0.02 0.00 0.00 33.50 31.85 1sq4 n PRO 247 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1sq4 s GLN 248 N -1.93 0.47 -0.00 -0.52 -0.21 -1.26 -1.73 119.66 114.48 1sq4 s GLN 248 Ca 0.66 0.02 -0.04 0.00 0.02 0.00 0.00 55.36 56.02 1sq4 s GLN 248 Cb -0.53 -0.60 -0.00 0.00 1.00 0.00 0.00 33.01 32.88 1sq4 s GLN 248 CO 0.56 -0.12 0.08 0.00 -2.12 0.00 0.00 175.29 173.69 1sq4 s ALA 249 N 0.99 -0.17 -0.04 6.09 0.00 -0.71 -0.62 121.76 127.31 1sq4 s ALA 249 Ca -0.10 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.74 1sq4 s ALA 249 Cb -0.14 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1sq4 s ALA 249 CO -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 175.76 175.51 1sq4 s TYR 251 N 0.46 3.23 -0.32 0.00 5.04 -0.85 -0.91 117.35 124.00 1sq4 s TYR 251 Ca -0.08 -3.20 -0.29 0.00 -2.44 0.00 0.00 57.07 51.06 1sq4 s TYR 251 Cb -0.12 -2.47 0.01 0.00 0.35 0.00 0.00 41.96 39.73 1sq4 s TYR 251 CO 0.01 -0.59 1.23 -1.54 -1.34 0.00 0.00 175.55 173.33 1sq4 s SER 252 N -1.23 6.73 -0.00 4.32 1.04 -1.26 -2.81 113.70 120.49 1sq4 s SER 252 Ca 0.26 1.11 0.02 0.00 0.48 0.00 0.00 55.95 57.82 1sq4 s SER 252 Cb -0.04 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 1sq4 s SER 252 CO -0.17 -1.05 0.08 0.61 0.98 0.00 0.00 173.24 173.70 1sq4 n GLY 253 N 4.26 0.59 3.44 7.32 0.00 -1.26 -4.37 105.19 115.16 1sq4 n GLY 253 Ca 0.14 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1sq4 n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sq4 n GLY 254 N 1.35 -1.69 0.26 -0.02 0.00 -1.25 -4.85 105.19 99.00 1sq4 n GLY 254 Ca 0.00 -0.32 0.16 0.00 0.00 0.00 0.00 46.02 45.87 1sq4 n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sq4 h PRO 255 N -0.17 0.00 0.00 1.61 0.13 -1.95 -3.42 132.00 128.20 1sq4 h PRO 255 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1sq4 h PRO 255 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1sq4 h PRO 255 CO 0.43 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.61 1sq4 n GLY 256 N 0.12 4.44 3.80 1.56 0.00 -1.26 -4.88 105.19 108.97 1sq4 n GLY 256 Ca 0.01 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 1sq4 n GLY 256 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sq4 s ARG 257 N 1.85 4.31 -0.23 1.61 3.52 -1.26 -4.02 118.95 124.73 1sq4 s ARG 257 Ca 0.00 0.90 -0.03 0.00 -0.13 0.00 0.00 55.73 56.47 1sq4 s ARG 257 Cb 0.00 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1sq4 s ARG 257 CO 0.00 0.50 -0.05 0.12 -0.81 0.00 0.00 175.30 175.07 1sq4 s PHE 258 N -1.32 2.98 0.01 5.12 5.36 -0.58 -3.52 117.98 126.03 1sq4 s PHE 258 Ca 0.37 -1.09 -0.02 0.00 -0.96 0.00 0.00 56.93 55.23 1sq4 s PHE 258 Cb -0.19 -2.10 -0.01 0.00 -0.34 0.00 0.00 43.02 40.38 1sq4 s PHE 258 CO 0.22 -0.60 0.03 1.03 -1.46 0.00 0.00 175.22 174.44 1sq4 s ARG 259 N 1.44 0.32 0.01 10.12 0.52 -0.66 -0.27 118.95 130.43 1sq4 s ARG 259 Ca 0.05 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 1sq4 s ARG 259 Cb -0.15 0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.44 1sq4 s ARG 259 CO -0.04 -0.06 -0.02 1.52 0.02 0.00 0.00 175.30 176.72 1sq4 s TYR 260 N -1.24 0.20 0.39 -0.53 1.13 -0.91 0.06 117.35 116.45 1sq4 s TYR 260 Ca -0.13 -0.23 -0.25 0.00 -1.41 0.00 0.00 57.07 55.04 1sq4 s TYR 260 Cb -0.08 -0.13 -0.09 0.00 -1.10 0.00 0.00 41.96 40.56 1sq4 s TYR 260 CO -0.00 -0.07 1.13 -1.17 -2.51 0.00 0.00 175.55 172.93 1sq4 s LEU 261 N -0.64 4.21 -0.03 -3.49 2.96 0.41 -2.10 118.68 120.01 1sq4 s LEU 261 Ca -0.06 2.25 -0.01 0.00 -0.22 0.00 0.00 54.13 56.09 1sq4 s LEU 261 Cb -0.04 -4.03 0.02 0.00 0.50 0.00 0.00 46.19 42.64 1sq4 s LEU 261 CO -0.00 -0.58 0.06 -0.22 -1.32 0.00 0.00 176.35 174.28 1sq4 s LEU 262 N -2.44 1.21 -0.00 -0.68 0.20 -0.13 -0.70 118.68 116.13 1sq4 s LEU 262 Ca 0.56 0.10 0.04 0.00 0.69 0.00 0.00 54.13 55.52 1sq4 s LEU 262 Cb -0.28 0.08 -0.01 0.00 -0.43 0.00 0.00 46.19 45.54 1sq4 s LEU 262 CO 0.36 -0.10 -0.12 -0.72 -0.29 0.00 0.00 176.35 175.47 1sq4 s TYR 263 N 0.82 1.08 0.09 5.38 -0.85 -1.15 -0.66 117.35 122.06 1sq4 s TYR 263 Ca -0.07 -0.22 -0.22 0.00 -0.52 0.00 0.00 57.07 56.04 1sq4 s TYR 263 Cb -0.09 -0.69 0.05 0.00 0.38 0.00 0.00 41.96 41.61 1sq4 s TYR 263 CO -0.03 -0.01 0.53 -1.59 -1.52 0.00 0.00 175.55 172.93 1sq4 s LYS 264 N -0.39 1.11 0.04 -3.49 -2.85 -0.89 -2.93 119.74 110.34 1sq4 s LYS 264 Ca 0.04 -0.37 -0.07 0.00 -1.00 0.00 0.00 55.97 54.57 1sq4 s LYS 264 Cb -0.05 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.18 1sq4 s LYS 264 CO -0.00 -0.43 0.31 0.16 0.10 0.00 0.00 175.35 175.48 1sq4 s ASP 265 N -2.32 6.53 0.26 0.03 -4.77 -1.26 -1.11 116.67 114.02 1sq4 s ASP 265 Ca -0.02 0.61 -0.07 0.00 -3.30 0.00 0.00 52.55 49.77 1sq4 s ASP 265 Cb -0.00 -2.11 0.03 0.00 -1.09 0.00 0.00 42.92 39.75 1sq4 s ASP 265 CO -0.06 0.21 0.46 1.33 0.70 0.00 0.00 175.17 177.81 1sq4 n VAL 266 N 0.95 0.00 -2.11 2.11 0.24 -0.31 -4.94 118.33 114.26 1sq4 n VAL 266 Ca -0.09 -0.89 -0.14 0.00 -2.04 0.00 0.00 64.34 61.17 1sq4 n VAL 266 Cb 0.52 0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 33.58 1sq4 n VAL 266 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1sq4 n ASN 267 N -1.52 -4.06 -4.15 -1.34 3.02 -1.26 -4.43 115.26 101.52 1sq4 n ASN 267 Ca -0.04 0.22 -0.10 0.00 -0.03 0.00 0.00 54.58 54.63 1sq4 n ASN 267 Cb 0.41 -3.53 -0.10 0.00 -0.61 0.00 0.00 39.78 35.95 1sq4 n ASN 267 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1sq4 s ARG 268 N -4.45 0.97 0.00 3.52 6.06 -1.26 -4.98 118.95 118.81 1sq4 s ARG 268 Ca 0.00 -1.45 0.00 0.00 -2.50 0.00 0.00 55.73 51.78 1sq4 s ARG 268 Cb 0.00 0.25 0.00 0.00 0.06 0.00 0.00 34.95 35.26 1sq4 s ARG 268 CO 0.00 -0.28 0.00 0.72 -2.50 0.00 0.00 175.30 173.24 1sq4 n HIS 269 N -0.12 0.00 -4.33 5.12 8.25 -1.26 -5.22 115.22 117.65 1sq4 n HIS 269 Ca -0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.08 1sq4 n HIS 269 Cb 0.64 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.61 1sq4 n HIS 269 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1sq4 s ARG 271 N 0.00 3.38 0.00 -0.41 3.03 -1.26 -5.12 118.95 118.57 1sq4 s ARG 271 Ca 0.00 -0.66 0.03 0.00 2.03 0.00 0.00 55.73 57.13 1sq4 s ARG 271 Cb 0.00 -2.81 -0.03 0.00 -1.03 0.00 0.00 34.95 31.08 1sq4 s ARG 271 CO 0.00 0.01 -0.06 -0.51 -1.13 0.00 0.00 175.30 173.62 1sq4 s LEU 272 N 0.89 3.22 0.19 -1.89 1.43 -1.26 -5.07 118.68 116.19 1sq4 s LEU 272 Ca -0.02 -0.12 -0.32 0.00 -1.03 0.00 0.00 54.13 52.64 1sq4 s LEU 272 Cb -0.15 -1.84 -0.11 0.00 0.03 0.00 0.00 46.19 44.12 1sq4 s LEU 272 CO 0.00 0.28 1.72 -0.89 0.23 0.00 0.00 176.35 177.69 1sq4 s THR 273 N -1.01 2.21 -1.55 5.49 2.01 -1.26 -4.86 115.64 116.68 1sq4 s THR 273 Ca 0.17 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 1sq4 s THR 273 Cb -0.11 -3.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.26 1sq4 s THR 273 CO 0.08 0.01 2.95 0.18 -0.69 0.00 0.00 174.62 177.14 1sq4 n LEU 274 N 4.28 8.60 -0.44 4.42 4.32 -1.26 -5.41 117.00 131.52 1sq4 n LEU 274 Ca 0.16 -4.36 0.14 0.00 -0.02 0.00 0.00 56.01 51.93 1sq4 n LEU 274 Cb 0.36 -1.54 0.56 0.00 -1.62 0.00 0.00 43.42 41.18 1sq4 n LEU 274 CO 0.64 2.06 0.89 0.59 -1.22 0.00 0.00 177.39 180.35