#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl4 n PRO 12 N 0.00 1.00 -3.02 -1.58 -0.02 -1.26 -4.90 135.00 125.22 1xl4 n PRO 12 Ca 0.00 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.42 1xl4 n PRO 12 Cb 0.00 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 1xl4 n PRO 12 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1xl4 s ARG 13 N 3.96 4.07 0.28 -0.52 1.70 -1.26 -4.95 118.95 122.24 1xl4 s ARG 13 Ca 1.01 0.62 0.02 0.00 -0.47 0.00 0.00 55.73 56.92 1xl4 s ARG 13 Cb -1.10 -3.67 0.66 0.00 -0.57 0.00 0.00 34.95 30.26 1xl4 s ARG 13 CO 0.65 -0.52 1.71 0.82 -1.08 0.00 0.00 175.30 176.89 1xl4 h ILE 14 N 5.47 0.55 -4.16 4.99 1.08 -1.92 -3.40 117.51 120.11 1xl4 h ILE 14 Ca -0.25 -0.16 -0.69 0.00 -0.39 0.00 0.00 64.86 63.37 1xl4 h ILE 14 Cb 1.11 0.05 -0.27 0.00 -3.07 0.00 0.00 36.82 34.64 1xl4 h ILE 14 CO 0.82 0.08 -0.83 -0.76 -0.69 0.00 0.00 178.15 176.78 1xl4 s LEU 15 N -10.46 2.41 0.89 1.44 1.43 -1.26 -1.74 118.68 111.39 1xl4 s LEU 15 Ca -0.12 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 1xl4 s LEU 15 Cb 0.24 -1.46 0.13 0.00 0.03 0.00 0.00 46.19 45.13 1xl4 s LEU 15 CO 0.78 0.31 1.18 0.20 0.23 0.00 0.00 176.35 179.05 1xl4 s ASN 16 N -0.52 3.73 0.38 2.29 0.01 0.23 -4.89 114.94 116.17 1xl4 s ASN 16 Ca 0.07 0.77 0.08 0.00 -0.71 0.00 0.00 52.86 53.07 1xl4 s ASN 16 Cb -0.11 -1.22 0.77 0.00 0.41 0.00 0.00 41.25 41.10 1xl4 s ASN 16 CO 0.01 -2.39 1.94 0.28 -1.51 0.00 0.00 177.10 175.43 1xl4 h SER 17 N -1.39 0.32 -0.18 -1.22 0.02 -1.88 -1.96 113.55 107.26 1xl4 h SER 17 Ca -0.48 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.39 1xl4 h SER 17 Cb 1.32 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1xl4 h SER 17 CO 0.59 0.40 0.05 -0.90 -1.14 0.00 0.00 176.83 175.83 1xl4 n ASP 18 N -4.32 2.52 0.00 3.07 5.75 -1.26 -0.34 116.55 121.96 1xl4 n ASP 18 Ca 0.00 -2.30 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 1xl4 n ASP 18 Cb 0.22 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 1xl4 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xl4 n GLY 19 N 0.14 1.49 3.82 6.12 0.00 -0.74 -4.52 105.19 111.50 1xl4 n GLY 19 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1xl4 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xl4 s SER 20 N -3.06 4.68 0.21 1.61 1.04 -1.26 -4.71 113.70 112.20 1xl4 s SER 20 Ca 0.00 1.25 -0.23 0.00 0.48 0.00 0.00 55.95 57.45 1xl4 s SER 20 Cb 0.00 -1.99 -0.08 0.00 0.10 0.00 0.00 66.02 64.04 1xl4 s SER 20 CO 0.00 -1.84 0.77 -0.55 0.98 0.00 0.00 173.24 172.60 1xl4 s SER 21 N -4.02 7.25 -0.26 7.02 0.15 -1.26 -0.60 113.70 121.97 1xl4 s SER 21 Ca 0.60 1.58 0.12 0.00 0.70 0.00 0.00 55.95 58.95 1xl4 s SER 21 Cb -0.14 -2.48 0.57 0.00 -1.71 0.00 0.00 66.02 62.27 1xl4 s SER 21 CO 0.54 0.10 1.54 -3.20 1.20 0.00 0.00 173.24 173.42 1xl4 n ASN 22 N 1.11 3.61 -4.86 5.45 5.15 -0.71 -4.81 115.26 120.19 1xl4 n ASN 22 Ca -0.03 -3.34 -0.28 0.00 -0.60 0.00 0.00 54.58 50.32 1xl4 n ASN 22 Cb 0.50 -0.63 -0.05 0.00 -0.53 0.00 0.00 39.78 39.07 1xl4 n ASN 22 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xl4 s ILE 23 N -3.03 4.94 0.08 -1.44 1.01 -1.26 -4.95 121.20 116.55 1xl4 s ILE 23 Ca 0.46 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 1xl4 s ILE 23 Cb 0.39 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.33 1xl4 s ILE 23 CO 0.07 0.02 0.58 -0.89 0.00 0.00 0.00 174.94 174.72 1xl4 s THR 24 N -1.60 4.72 -0.22 2.92 2.01 -1.26 -5.07 115.64 117.15 1xl4 s THR 24 Ca 0.32 1.22 -0.12 0.00 0.31 0.00 0.00 61.69 63.42 1xl4 s THR 24 Cb -0.12 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1xl4 s THR 24 CO 0.25 0.54 0.25 -0.13 -0.69 0.00 0.00 174.62 174.84 1xl4 s ARG 25 N -1.16 4.12 0.00 4.92 3.00 -1.26 -4.95 118.95 123.62 1xl4 s ARG 25 Ca 0.30 -0.09 0.15 0.00 0.00 0.00 0.00 55.73 56.09 1xl4 s ARG 25 Cb -0.19 -3.53 0.17 0.00 0.00 0.00 0.00 34.95 31.40 1xl4 s ARG 25 CO 0.19 0.05 1.05 1.28 0.00 0.00 0.00 175.30 177.87 1xl4 n LEU 26 N 4.28 2.45 -1.92 2.53 4.77 -1.26 -4.19 117.00 123.67 1xl4 n LEU 26 Ca -0.13 -1.18 -0.16 0.00 -0.03 0.00 0.00 56.01 54.52 1xl4 n LEU 26 Cb 0.52 -0.06 0.16 0.00 -2.33 0.00 0.00 43.42 41.71 1xl4 n LEU 26 CO 0.37 0.48 1.07 0.61 -1.33 0.00 0.00 177.39 178.60 1xl4 n GLY 27 N 0.87 3.81 3.03 -0.72 0.00 -1.26 -4.97 105.19 105.94 1xl4 n GLY 27 Ca 0.10 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1xl4 n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xl4 n LEU 28 N -0.64 0.41 -3.58 0.99 4.77 -1.26 -4.91 117.00 112.78 1xl4 n LEU 28 Ca 0.44 0.32 -0.28 0.00 -0.03 0.00 0.00 56.01 56.46 1xl4 n LEU 28 Cb 1.38 -0.81 -0.16 0.00 -2.33 0.00 0.00 43.42 41.50 1xl4 n LEU 28 CO 0.45 -0.66 -0.33 -1.61 -1.33 0.00 0.00 177.39 173.92 1xl4 s GLU 29 N 7.02 0.19 0.00 3.23 2.02 -1.26 -5.12 118.70 124.78 1xl4 s GLU 29 Ca 1.16 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.72 1xl4 s GLU 29 Cb -1.20 -1.42 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1xl4 s GLU 29 CO 0.49 -0.91 0.00 1.17 0.02 0.00 0.00 175.26 176.03 1xl4 n LYS 30 N 5.23 0.00 -1.76 1.61 3.00 -1.26 -4.98 118.16 120.00 1xl4 n LYS 30 Ca -0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.16 1xl4 n LYS 30 Cb 0.44 -0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.50 1xl4 n LYS 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1xl4 n ARG 31 N 0.00 0.70 0.00 1.64 1.74 -1.26 -5.12 116.66 114.36 1xl4 n ARG 31 Ca 0.00 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 1xl4 n ARG 31 Cb 0.00 -0.15 0.00 0.00 -1.02 0.00 0.00 32.46 31.29 1xl4 n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xl4 n GLY 32 N 1.87 3.26 3.74 -0.13 0.00 -1.26 -5.07 105.19 107.60 1xl4 n GLY 32 Ca 0.07 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1xl4 n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xl4 s TRP 33 N -0.10 3.39 -1.38 1.61 0.51 -1.26 -4.04 118.94 117.68 1xl4 s TRP 33 Ca 0.00 0.30 0.00 0.00 -2.12 0.00 0.00 56.10 54.28 1xl4 s TRP 33 Cb 0.00 -2.02 0.00 0.00 -0.81 0.00 0.00 33.47 30.64 1xl4 s TRP 33 CO 0.00 0.42 0.00 -0.11 -0.51 0.00 0.00 176.95 176.75 1xl4 n LEU 34 N 2.86 -0.77 -1.41 2.99 7.94 -1.26 -4.83 117.00 122.52 1xl4 n LEU 34 Ca -0.18 0.32 0.02 0.00 -1.11 0.00 0.00 56.01 55.06 1xl4 n LEU 34 Cb 0.53 -2.31 0.09 0.00 0.53 0.00 0.00 43.42 42.26 1xl4 n LEU 34 CO 0.33 -0.85 0.16 0.47 -1.11 0.00 0.00 177.39 176.40 1xl4 n ASP 35 N -0.70 1.64 0.00 1.96 8.00 -1.26 -4.80 116.55 121.39 1xl4 n ASP 35 Ca -0.13 -2.78 0.00 0.00 0.71 0.00 0.00 54.79 52.59 1xl4 n ASP 35 Cb 0.51 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1xl4 n ASP 35 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xl4 n ASP 36 N -0.27 0.00 -0.98 -2.24 -0.08 -1.26 -4.06 116.55 107.66 1xl4 n ASP 36 Ca 0.14 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.49 1xl4 n ASP 36 Cb 0.94 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.64 1xl4 n ASP 36 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1xl4 n HIS 37 N 0.00 0.85 -0.31 -0.67 8.25 -1.26 -4.55 115.22 117.53 1xl4 n HIS 37 Ca 0.00 -0.61 0.35 0.00 -0.26 0.00 0.00 57.72 57.20 1xl4 n HIS 37 Cb 0.00 -0.13 0.75 0.00 1.12 0.00 0.00 29.99 31.72 1xl4 n HIS 37 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1xl4 h TYR 38 N 2.67 0.00 0.00 4.41 3.20 -1.87 1.07 116.97 126.45 1xl4 h TYR 38 Ca 0.00 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 1xl4 h TYR 38 Cb 1.07 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 1xl4 h TYR 38 CO 0.43 0.00 -1.31 0.45 -1.64 0.00 0.00 178.16 176.09 1xl4 h HIS 39 N 0.00 0.00 0.00 -3.82 3.86 -1.89 -3.25 115.15 110.04 1xl4 h HIS 39 Ca 0.55 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.73 1xl4 h HIS 39 Cb 2.23 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.69 1xl4 h HIS 39 CO 0.00 0.88 -0.14 -0.44 0.86 0.00 0.00 177.93 179.09 1xl4 h ASP 40 N 0.00 0.00 1.18 2.45 3.32 0.80 -0.80 116.42 123.38 1xl4 h ASP 40 Ca -0.15 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 1xl4 h ASP 40 Cb 1.80 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.33 1xl4 h ASP 40 CO 0.09 0.14 -0.86 -0.07 -1.72 0.00 0.00 179.24 176.82 1xl4 h LEU 41 N 0.00 0.00 0.00 1.55 3.38 -1.23 -2.59 115.31 116.43 1xl4 h LEU 41 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1xl4 h LEU 41 Cb 0.71 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1xl4 h LEU 41 CO 0.02 0.44 -1.34 -0.07 0.09 0.00 0.00 178.44 177.58 1xl4 h LEU 42 N 0.00 0.00 0.03 1.67 3.38 -1.52 -3.40 115.31 115.47 1xl4 h LEU 42 Ca -0.06 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.57 1xl4 h LEU 42 Cb 1.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.10 1xl4 h LEU 42 CO 0.05 0.53 -1.86 0.41 0.09 0.00 0.00 178.44 177.66 1xl4 n THR 43 N -2.89 1.59 -0.74 0.22 -1.04 -0.33 -4.82 114.28 106.27 1xl4 n THR 43 Ca -0.08 -0.32 -0.34 0.00 -2.04 0.00 0.00 64.05 61.27 1xl4 n THR 43 Cb 0.81 -1.86 0.14 0.00 -1.82 0.00 0.00 70.33 67.61 1xl4 n THR 43 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1xl4 n VAL 44 N -4.02 0.00 -2.36 12.58 3.14 -0.97 -4.96 118.33 121.73 1xl4 n VAL 44 Ca -0.39 -0.24 -0.31 0.00 -2.96 0.00 0.00 64.34 60.44 1xl4 n VAL 44 Cb 0.85 -0.47 -0.02 0.00 -1.06 0.00 0.00 33.84 33.14 1xl4 n VAL 44 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1xl4 s SER 45 N -1.66 6.49 0.21 6.55 1.04 -1.26 -4.81 113.70 120.27 1xl4 s SER 45 Ca 0.52 1.43 -0.10 0.00 0.48 0.00 0.00 55.95 58.27 1xl4 s SER 45 Cb -0.07 -2.45 0.30 0.00 0.10 0.00 0.00 66.02 63.90 1xl4 s SER 45 CO 0.66 -0.62 1.70 -0.50 0.98 0.00 0.00 173.24 175.45 1xl4 h TRP 46 N 0.63 0.16 -0.75 5.02 4.06 -1.97 0.69 115.95 123.79 1xl4 h TRP 46 Ca -0.46 0.04 0.07 0.00 2.06 0.00 0.00 58.89 60.60 1xl4 h TRP 46 Cb 1.19 0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 29.31 1xl4 h TRP 46 CO 0.64 -0.06 0.42 -1.35 -3.56 0.00 0.00 178.44 174.52 1xl4 h PRO 47 N 0.23 0.72 -0.15 0.49 0.11 -1.99 0.32 132.00 131.73 1xl4 h PRO 47 Ca 0.32 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.17 1xl4 h PRO 47 Cb 0.49 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.45 1xl4 h PRO 47 CO -0.43 0.48 -0.76 0.28 -0.21 0.00 0.00 178.00 177.35 1xl4 h VAL 48 N 0.74 1.28 -0.07 3.15 2.07 -1.59 -1.18 116.25 120.65 1xl4 h VAL 48 Ca 0.35 -1.96 0.03 0.00 0.82 0.00 0.00 66.70 65.93 1xl4 h VAL 48 Cb 0.26 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1xl4 h VAL 48 CO -0.21 0.62 -0.10 0.15 0.02 0.00 0.00 177.57 178.04 1xl4 h PHE 49 N 0.52 -0.26 -0.71 1.57 3.57 0.11 0.23 116.94 121.97 1xl4 h PHE 49 Ca -0.05 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1xl4 h PHE 49 Cb 1.39 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.23 1xl4 h PHE 49 CO 0.09 -0.16 0.30 0.82 -2.23 0.00 0.00 178.31 177.13 1xl4 h ILE 50 N -0.14 1.24 -0.24 1.41 2.04 -0.40 -1.32 117.51 120.09 1xl4 h ILE 50 Ca 0.06 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1xl4 h ILE 50 Cb 0.23 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1xl4 h ILE 50 CO -0.16 0.30 0.12 0.74 0.00 0.00 0.00 178.15 179.15 1xl4 h THR 51 N 1.01 1.14 -0.69 -0.27 2.02 -0.70 0.83 112.91 116.25 1xl4 h THR 51 Ca 0.24 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 67.05 1xl4 h THR 51 Cb 0.18 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1xl4 h THR 51 CO -0.02 0.14 0.43 -0.07 0.37 0.00 0.00 175.52 176.36 1xl4 h LEU 52 N 0.26 0.69 0.07 2.58 3.38 -0.30 0.35 115.31 122.36 1xl4 h LEU 52 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xl4 h LEU 52 Cb 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xl4 h LEU 52 CO -0.01 0.48 -0.03 0.40 0.09 0.00 0.00 178.44 179.36 1xl4 h ILE 53 N 0.83 1.08 -0.88 1.22 2.04 -0.97 0.96 117.51 121.79 1xl4 h ILE 53 Ca 0.28 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.72 1xl4 h ILE 53 Cb 0.04 1.41 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 1xl4 h ILE 53 CO -0.12 0.13 0.53 0.74 0.00 0.00 0.00 178.15 179.43 1xl4 h THR 54 N -0.32 0.97 0.46 -0.27 2.02 -0.56 0.80 112.91 116.00 1xl4 h THR 54 Ca -0.01 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1xl4 h THR 54 Cb 0.28 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1xl4 h THR 54 CO 0.02 0.17 -0.35 1.23 0.37 0.00 0.00 175.52 176.96 1xl4 h GLY 55 N 0.92 -0.87 1.96 2.16 0.00 0.21 0.20 103.07 107.66 1xl4 h GLY 55 Ca 0.41 0.39 0.00 0.00 0.00 0.00 0.00 47.33 48.13 1xl4 h GLY 55 CO -0.22 -0.31 0.01 -2.00 0.00 0.00 0.00 176.54 174.02 1xl4 h LEU 56 N -0.79 0.00 0.02 3.11 5.85 -0.24 -2.06 115.31 121.20 1xl4 h LEU 56 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1xl4 h LEU 56 Cb 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1xl4 h LEU 56 CO 0.00 0.00 -0.01 0.22 -0.34 0.00 0.00 178.44 178.32 1xl4 h TYR 57 N 0.00 -0.02 0.34 1.25 3.20 0.13 -2.06 116.97 119.81 1xl4 h TYR 57 Ca 0.01 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1xl4 h TYR 57 Cb 0.03 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1xl4 h TYR 57 CO 0.00 0.35 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.64 1xl4 h LEU 58 N -0.40 -0.39 -0.81 2.82 3.38 -0.53 -2.65 115.31 116.73 1xl4 h LEU 58 Ca -0.00 -0.10 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1xl4 h LEU 58 Cb 0.39 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 1xl4 h LEU 58 CO 0.00 -0.12 0.44 1.62 0.09 0.00 0.00 178.44 180.48 1xl4 h VAL 59 N -0.66 0.85 -0.59 1.22 3.04 -1.49 0.12 116.25 118.76 1xl4 h VAL 59 Ca -0.05 -0.24 0.01 0.00 -1.01 0.00 0.00 66.70 65.41 1xl4 h VAL 59 Cb 0.47 0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 29.79 1xl4 h VAL 59 CO 0.08 0.13 0.38 0.74 -1.01 0.00 0.00 177.57 177.89 1xl4 h THR 60 N 0.71 1.13 -0.15 3.17 2.02 -1.35 0.26 112.91 118.71 1xl4 h THR 60 Ca 0.40 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 1xl4 h THR 60 Cb 0.43 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1xl4 h THR 60 CO -0.28 0.14 -0.26 0.78 0.37 0.00 0.00 175.52 176.28 1xl4 h ASN 61 N 0.78 0.28 -0.17 4.18 2.35 -0.95 -2.39 115.58 119.66 1xl4 h ASN 61 Ca 0.22 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1xl4 h ASN 61 Cb -0.07 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1xl4 h ASN 61 CO -0.06 0.54 0.05 0.00 -1.65 0.00 0.00 177.43 176.31 1xl4 h ALA 62 N 1.48 0.23 -0.62 -0.83 0.00 0.82 -0.65 119.26 119.70 1xl4 h ALA 62 Ca 0.04 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xl4 h ALA 62 Cb 0.60 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1xl4 h ALA 62 CO 0.04 -0.14 0.36 -0.07 0.00 0.00 0.00 179.25 179.44 1xl4 h LEU 63 N 0.09 0.56 -0.23 0.00 3.38 -0.24 -2.26 115.31 116.61 1xl4 h LEU 63 Ca 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1xl4 h LEU 63 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xl4 h LEU 63 CO -0.00 0.38 0.01 -0.26 0.09 0.00 0.00 178.44 178.67 1xl4 h PHE 64 N 0.69 0.43 -0.95 1.13 -1.00 -1.31 -1.80 116.94 114.15 1xl4 h PHE 64 Ca 0.26 -0.07 0.25 0.00 2.81 0.00 0.00 57.97 61.22 1xl4 h PHE 64 Cb 0.09 -0.12 -0.13 0.00 3.61 0.00 0.00 35.95 39.41 1xl4 h PHE 64 CO -0.07 0.56 0.48 0.00 -1.61 0.00 0.00 178.31 177.67 1xl4 h ALA 65 N 0.82 1.63 -0.19 2.45 0.00 -0.72 0.21 119.26 123.47 1xl4 h ALA 65 Ca 0.07 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1xl4 h ALA 65 Cb 0.38 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xl4 h ALA 65 CO 0.01 -0.37 -0.14 -0.07 0.00 0.00 0.00 179.25 178.68 1xl4 h LEU 66 N 0.43 0.45 -1.96 0.00 3.38 -1.17 -2.94 115.31 113.50 1xl4 h LEU 66 Ca 0.62 -0.45 0.15 0.00 0.09 0.00 0.00 57.88 58.29 1xl4 h LEU 66 Cb 1.22 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1xl4 h LEU 66 CO -0.54 0.80 0.39 0.00 0.09 0.00 0.00 178.44 179.19 1xl4 h ALA 67 N 0.66 2.47 0.02 1.53 0.00 0.25 0.17 119.26 124.35 1xl4 h ALA 67 Ca 0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1xl4 h ALA 67 Cb 0.66 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xl4 h ALA 67 CO 0.04 -0.62 -0.97 1.88 0.00 0.00 0.00 179.25 179.58 1xl4 h TYR 68 N 0.04 0.44 0.00 0.00 0.99 -1.09 -3.16 116.97 114.18 1xl4 h TYR 68 Ca 0.26 -0.25 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 1xl4 h TYR 68 Cb 1.00 -0.04 -0.01 0.00 1.00 0.00 0.00 36.73 38.67 1xl4 h TYR 68 CO -0.00 1.09 -0.40 -0.07 -0.00 0.00 0.00 178.16 178.78 1xl4 h LEU 69 N 0.15 0.00 -1.35 3.88 3.38 -0.57 -2.39 115.31 118.41 1xl4 h LEU 69 Ca -0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1xl4 h LEU 69 Cb 1.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 1xl4 h LEU 69 CO 0.16 0.40 -0.31 0.00 0.09 0.00 0.00 178.44 178.77 1xl4 h ALA 70 N 1.60 1.30 -0.24 1.53 0.00 -1.11 -0.67 119.26 121.67 1xl4 h ALA 70 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xl4 h ALA 70 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1xl4 h ALA 70 CO 0.05 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1xl4 n GLY 72 N 0.94 0.37 3.27 0.00 0.00 -0.26 -4.47 105.19 105.04 1xl4 n GLY 72 Ca 0.10 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 1xl4 n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xl4 s ASP 73 N -4.00 6.38 0.00 1.61 1.11 -1.26 -4.29 116.67 116.22 1xl4 s ASP 73 Ca 0.00 -2.72 0.04 0.00 0.18 0.00 0.00 52.55 50.05 1xl4 s ASP 73 Cb 0.00 -2.12 0.08 0.00 1.07 0.00 0.00 42.92 41.94 1xl4 s ASP 73 CO 0.00 -0.53 0.89 1.33 1.18 0.00 0.00 175.17 178.04 1xl4 n VAL 74 N 3.86 0.56 -3.35 -1.27 0.24 -1.26 -4.89 118.33 112.21 1xl4 n VAL 74 Ca 0.12 -0.78 -0.45 0.00 -2.04 0.00 0.00 64.34 61.19 1xl4 n VAL 74 Cb 0.45 0.76 -0.05 0.00 -1.47 0.00 0.00 33.84 33.53 1xl4 n VAL 74 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xl4 s ILE 75 N -0.71 5.16 0.32 1.34 -1.09 -1.26 0.11 121.20 125.08 1xl4 s ILE 75 Ca 0.07 -1.84 -0.29 0.00 -2.23 0.00 0.00 60.65 56.36 1xl4 s ILE 75 Cb 0.04 -4.28 -0.11 0.00 -1.58 0.00 0.00 42.46 36.52 1xl4 s ILE 75 CO 0.06 -0.90 1.58 -0.70 -1.23 0.00 0.00 174.94 173.74 1xl4 s GLU 76 N 1.13 4.10 -1.08 2.79 2.12 -0.26 -2.01 118.70 125.50 1xl4 s GLU 76 Ca 0.08 2.61 0.00 0.00 0.36 0.00 0.00 54.97 58.01 1xl4 s GLU 76 Cb -0.24 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1xl4 s GLU 76 CO -0.01 -0.63 0.00 0.09 -0.54 0.00 0.00 175.26 174.18 1xl4 n ASN 77 N 1.62 -4.20 -4.53 -1.70 3.02 -1.26 -4.04 115.26 104.17 1xl4 n ASN 77 Ca 0.06 0.24 -0.31 0.00 -0.03 0.00 0.00 54.58 54.55 1xl4 n ASN 77 Cb 0.38 -2.64 -0.11 0.00 -0.61 0.00 0.00 39.78 36.80 1xl4 n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xl4 s ALA 78 N -2.39 2.81 -0.05 5.41 0.00 -0.85 -4.85 121.76 121.84 1xl4 s ALA 78 Ca 0.00 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 1xl4 s ALA 78 Cb 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 1xl4 s ALA 78 CO 0.00 0.60 1.51 1.03 0.00 0.00 0.00 175.76 178.90 1xl4 s ARG 79 N -1.68 4.22 0.12 0.00 0.52 -1.26 -4.93 118.95 115.93 1xl4 s ARG 79 Ca 0.17 2.03 -0.35 0.00 -0.52 0.00 0.00 55.73 57.06 1xl4 s ARG 79 Cb -0.11 -3.81 -0.16 0.00 0.52 0.00 0.00 34.95 31.39 1xl4 s ARG 79 CO 0.08 -0.74 1.25 -2.30 0.02 0.00 0.00 175.30 173.62 1xl4 n PRO 80 N 6.46 1.13 0.00 3.54 -0.02 -1.26 -1.57 135.00 143.27 1xl4 n PRO 80 Ca 0.15 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1xl4 n PRO 80 Cb 0.43 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1xl4 n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xl4 n GLY 81 N 2.28 1.70 3.72 -1.23 0.00 -1.26 -4.96 105.19 105.44 1xl4 n GLY 81 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xl4 n GLY 81 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xl4 s SER 82 N -2.83 6.66 -0.06 1.61 0.15 -0.61 -4.91 113.70 113.70 1xl4 s SER 82 Ca 0.00 2.53 -0.23 0.00 0.70 0.00 0.00 55.95 58.95 1xl4 s SER 82 Cb 0.00 -2.59 -0.30 0.00 -1.71 0.00 0.00 66.02 61.41 1xl4 s SER 82 CO 0.00 -0.77 0.88 0.15 1.20 0.00 0.00 173.24 174.70 1xl4 h PHE 83 N 6.75 0.45 -0.53 3.44 3.57 -1.93 -3.13 116.94 125.55 1xl4 h PHE 83 Ca -0.43 -0.33 0.10 0.00 3.53 0.00 0.00 57.97 60.85 1xl4 h PHE 83 Cb 1.21 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.82 1xl4 h PHE 83 CO 0.65 1.25 -0.27 1.15 -2.23 0.00 0.00 178.31 178.87 1xl4 h THR 84 N -0.48 0.26 -0.30 4.41 2.02 -1.96 0.92 112.91 117.78 1xl4 h THR 84 Ca -0.12 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 1xl4 h THR 84 Cb 1.53 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1xl4 h THR 84 CO 0.13 0.00 -0.23 0.44 0.37 0.00 0.00 175.52 176.22 1xl4 h ASP 85 N -0.14 0.58 0.55 4.18 5.19 -1.90 -1.64 116.42 123.24 1xl4 h ASP 85 Ca 0.24 -0.20 -0.20 0.00 -0.62 0.00 0.00 57.03 56.25 1xl4 h ASP 85 Cb 0.51 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1xl4 h ASP 85 CO -0.62 0.81 -0.88 0.00 -3.12 0.00 0.00 179.24 175.43 1xl4 h ALA 86 N 1.24 0.50 -0.29 3.45 0.00 -1.19 -2.31 119.26 120.67 1xl4 h ALA 86 Ca 0.07 -0.72 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 1xl4 h ALA 86 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1xl4 h ALA 86 CO 0.05 0.90 -0.04 0.35 0.00 0.00 0.00 179.25 180.50 1xl4 h PHE 87 N 0.13 0.60 0.00 0.00 3.57 0.98 -1.54 116.94 120.67 1xl4 h PHE 87 Ca -0.05 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1xl4 h PHE 87 Cb 1.51 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.10 1xl4 h PHE 87 CO 0.03 0.72 0.00 0.74 -2.23 0.00 0.00 178.31 177.57 1xl4 h PHE 88 N 0.31 0.00 -0.01 0.41 0.05 -1.34 -1.76 116.94 114.60 1xl4 h PHE 88 Ca 0.08 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.82 1xl4 h PHE 88 Cb 0.51 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.46 1xl4 h PHE 88 CO 0.05 0.00 -0.15 0.35 -0.18 0.00 0.00 178.31 178.37 1xl4 h PHE 89 N 0.00 0.18 0.15 -0.55 3.57 -1.12 -2.44 116.94 116.73 1xl4 h PHE 89 Ca 0.00 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.42 1xl4 h PHE 89 Cb 0.61 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1xl4 h PHE 89 CO 0.00 0.85 -0.52 1.03 -2.23 0.00 0.00 178.31 177.44 1xl4 h SER 90 N -0.54 -1.56 -0.49 0.41 0.87 -1.02 0.31 113.55 111.53 1xl4 h SER 90 Ca -0.02 0.16 0.08 0.00 -1.23 0.00 0.00 61.79 60.79 1xl4 h SER 90 Cb 0.88 0.57 -0.10 0.00 -0.44 0.00 0.00 62.40 63.31 1xl4 h SER 90 CO 0.03 -0.56 -0.40 0.58 -0.53 0.00 0.00 176.83 175.95 1xl4 h VAL 91 N -0.76 0.13 -0.77 2.23 2.07 -1.42 0.55 116.25 118.28 1xl4 h VAL 91 Ca -0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.67 1xl4 h VAL 91 Cb 0.76 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1xl4 h VAL 91 CO -0.27 0.00 0.52 1.56 0.02 0.00 0.00 177.57 179.40 1xl4 h GLN 92 N -0.25 0.36 0.01 1.57 4.20 -0.91 0.13 115.11 120.22 1xl4 h GLN 92 Ca 0.17 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1xl4 h GLN 92 Cb 0.57 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1xl4 h GLN 92 CO -0.62 0.24 -0.01 1.15 -0.67 0.00 0.00 178.83 178.92 1xl4 h THR 93 N 0.37 0.71 -0.95 -0.54 2.02 0.13 0.22 112.91 114.86 1xl4 h THR 93 Ca 0.38 -1.50 0.06 0.00 0.77 0.00 0.00 66.41 66.12 1xl4 h THR 93 Cb 0.96 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 68.63 1xl4 h THR 93 CO -0.12 0.24 0.61 -0.03 0.37 0.00 0.00 175.52 176.59 1xl4 h MET 94 N -1.00 1.10 -0.00 6.66 1.85 0.23 0.15 114.93 123.92 1xl4 h MET 94 Ca -0.00 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.02 1xl4 h MET 94 Cb 0.40 -0.25 0.00 0.00 0.43 0.00 0.00 31.60 32.18 1xl4 h MET 94 CO 0.00 0.72 -0.04 0.00 -0.40 0.00 0.00 176.91 177.19 1xl4 n ALA 95 N -2.36 2.60 -2.08 0.39 0.00 0.01 -4.52 120.51 114.55 1xl4 n ALA 95 Ca 0.14 -0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 1xl4 n ALA 95 Cb 0.16 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1xl4 n ALA 95 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xl4 n THR 96 N -1.18 -0.57 -0.05 0.00 -2.24 0.54 -4.91 114.28 105.87 1xl4 n THR 96 Ca 0.14 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.80 1xl4 n THR 96 Cb 0.25 -2.26 -0.06 0.00 -2.10 0.00 0.00 70.33 66.16 1xl4 n THR 96 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xl4 h ILE 97 N 0.00 1.27 -6.29 2.28 2.04 -0.85 -3.48 117.51 112.48 1xl4 h ILE 97 Ca -0.38 -0.93 -0.41 0.00 1.00 0.00 0.00 64.86 64.14 1xl4 h ILE 97 Cb 1.24 1.59 0.05 0.00 -0.74 0.00 0.00 36.82 38.96 1xl4 h ILE 97 CO 0.48 0.27 -0.87 0.61 0.00 0.00 0.00 178.15 178.64 1xl4 n GLY 98 N -0.19 -1.06 0.18 5.37 0.00 -0.58 -4.93 105.19 103.97 1xl4 n GLY 98 Ca -0.05 0.47 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 1xl4 n GLY 98 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xl4 h TYR 99 N -1.44 -0.55 0.00 1.61 -1.99 -1.92 -3.47 116.97 109.20 1xl4 h TYR 99 Ca -0.59 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.15 1xl4 h TYR 99 Cb 1.33 0.23 0.00 0.00 2.00 0.00 0.00 36.73 40.29 1xl4 h TYR 99 CO 0.31 -0.22 0.00 0.41 -0.00 0.00 0.00 178.16 178.65 1xl4 n GLY 100 N -1.18 0.55 0.12 3.88 0.00 -1.26 -5.02 105.19 102.28 1xl4 n GLY 100 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 1xl4 n GLY 100 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xl4 h LYS 101 N 0.00 0.27 -0.04 1.61 3.64 -1.93 -3.37 116.57 116.76 1xl4 h LYS 101 Ca 0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1xl4 h LYS 101 Cb 0.00 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1xl4 h LYS 101 CO 0.00 1.22 0.00 1.28 -2.27 0.00 0.00 179.45 179.68 1xl4 n LEU 102 N -3.98 0.57 -0.73 5.20 4.77 -1.26 -4.38 117.00 117.18 1xl4 n LEU 102 Ca -0.21 -0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 55.48 1xl4 n LEU 102 Cb 0.88 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1xl4 n LEU 102 CO 0.44 0.11 -0.08 2.30 -1.33 0.00 0.00 177.39 178.83 1xl4 n ILE 103 N -0.47 0.10 -0.48 -0.08 -5.35 -1.26 -3.81 119.36 108.02 1xl4 n ILE 103 Ca 0.18 -0.09 -0.30 0.00 -0.27 0.00 0.00 62.75 62.27 1xl4 n ILE 103 Cb 0.17 0.00 0.28 0.00 -1.74 0.00 0.00 39.64 38.35 1xl4 n ILE 103 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1xl4 n PRO 104 N 0.23 -4.35 -3.40 6.28 -0.02 -1.26 -1.10 135.00 131.37 1xl4 n PRO 104 Ca 0.02 -1.54 -0.01 0.00 -2.02 0.00 0.00 63.50 59.95 1xl4 n PRO 104 Cb 0.07 -1.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 1xl4 n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xl4 s ILE 105 N -2.36 -0.90 0.00 4.25 -1.09 0.12 -4.31 121.20 116.91 1xl4 s ILE 105 Ca 0.68 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 1xl4 s ILE 105 Cb -0.10 -0.93 0.00 0.00 -1.58 0.00 0.00 42.46 39.85 1xl4 s ILE 105 CO 0.55 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1xl4 n GLY 106 N 5.42 -1.81 0.49 6.18 0.00 -1.26 -4.04 105.19 110.18 1xl4 n GLY 106 Ca -0.06 -1.41 0.36 0.00 0.00 0.00 0.00 46.02 44.91 1xl4 n GLY 106 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xl4 h PRO 107 N 0.00 0.12 0.27 1.61 0.11 -2.01 -1.78 132.00 130.31 1xl4 h PRO 107 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1xl4 h PRO 107 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1xl4 h PRO 107 CO 0.00 0.08 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.67 1xl4 h LEU 108 N 0.12 -0.30 -0.95 2.35 3.38 -2.00 -2.16 115.31 115.74 1xl4 h LEU 108 Ca 0.76 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.58 1xl4 h LEU 108 Cb 2.49 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 43.26 1xl4 h LEU 108 CO -0.29 0.03 0.62 0.00 0.09 0.00 0.00 178.44 178.90 1xl4 h ALA 109 N -0.04 1.25 0.00 1.53 0.00 -1.48 -2.27 119.26 118.26 1xl4 h ALA 109 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xl4 h ALA 109 Cb 0.47 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xl4 h ALA 109 CO 0.06 0.53 0.00 -0.91 0.00 0.00 0.00 179.25 178.93 1xl4 h ASN 110 N 1.23 0.00 1.09 0.00 2.35 -1.45 -2.04 115.58 116.76 1xl4 h ASN 110 Ca 0.37 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.98 1xl4 h ASN 110 Cb -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1xl4 h ASN 110 CO -0.11 0.00 -0.96 0.74 -1.65 0.00 0.00 177.43 175.45 1xl4 h THR 111 N 0.00 0.75 0.03 2.81 2.02 -0.80 -2.63 112.91 115.09 1xl4 h THR 111 Ca 0.00 -2.20 -0.24 0.00 0.77 0.00 0.00 66.41 64.75 1xl4 h THR 111 Cb 0.52 2.27 0.02 0.00 -1.74 0.00 0.00 68.15 69.22 1xl4 h THR 111 CO 0.00 0.43 -0.94 -0.07 0.37 0.00 0.00 175.52 175.31 1xl4 h LEU 112 N 0.00 0.77 -0.19 2.58 3.38 -1.25 -2.72 115.31 117.88 1xl4 h LEU 112 Ca -0.08 -0.77 0.04 0.00 0.09 0.00 0.00 57.88 57.16 1xl4 h LEU 112 Cb 1.50 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1xl4 h LEU 112 CO 0.06 1.45 -0.04 0.58 0.09 0.00 0.00 178.44 180.58 1xl4 h VAL 113 N 0.19 0.82 -0.78 1.22 2.07 -1.41 0.92 116.25 119.28 1xl4 h VAL 113 Ca -0.12 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1xl4 h VAL 113 Cb 1.62 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.13 1xl4 h VAL 113 CO 0.18 0.00 0.45 0.74 0.02 0.00 0.00 177.57 178.97 1xl4 h THR 114 N 0.01 0.97 -0.17 2.57 2.02 -1.51 0.15 112.91 116.95 1xl4 h THR 114 Ca 0.09 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 1xl4 h THR 114 Cb 0.14 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1xl4 h THR 114 CO -0.19 0.15 -0.43 0.25 0.37 0.00 0.00 175.52 175.67 1xl4 h LEU 115 N 0.81 0.67 -1.58 2.58 5.85 -1.01 -2.87 115.31 119.76 1xl4 h LEU 115 Ca 0.36 -0.58 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1xl4 h LEU 115 Cb 0.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1xl4 h LEU 115 CO -0.20 1.13 -0.22 -0.08 -0.34 0.00 0.00 178.44 178.72 1xl4 h GLU 116 N 0.24 0.00 -0.45 1.25 4.81 0.13 -1.44 114.58 119.12 1xl4 h GLU 116 Ca -0.01 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1xl4 h GLU 116 Cb 1.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1xl4 h GLU 116 CO 0.09 0.22 -0.19 0.00 -0.73 0.00 0.00 179.01 178.41 1xl4 h ALA 117 N 1.78 0.81 -0.32 2.92 0.00 -0.63 -2.04 119.26 121.77 1xl4 h ALA 117 Ca -0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 1xl4 h ALA 117 Cb 0.42 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1xl4 h ALA 117 CO 0.03 0.65 -0.46 1.25 0.00 0.00 0.00 179.25 180.72 1xl4 h LEU 118 N 0.78 0.92 -0.26 0.00 5.85 -1.13 -2.21 115.31 119.26 1xl4 h LEU 118 Ca 0.11 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1xl4 h LEU 118 Cb 0.73 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1xl4 h LEU 118 CO 0.06 1.23 0.12 0.00 -0.34 0.00 0.00 178.44 179.52 1xl4 h GLY 120 N 0.29 0.67 0.83 0.00 0.00 -1.38 0.82 103.07 104.29 1xl4 h GLY 120 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1xl4 h GLY 120 CO -0.01 0.36 -0.13 1.98 0.00 0.00 0.00 176.54 178.73 1xl4 h MET 121 N 0.60 -0.36 -0.58 4.80 -1.53 -0.84 -0.61 114.93 116.42 1xl4 h MET 121 Ca 0.13 0.02 -0.05 0.00 -3.44 0.00 0.00 59.70 56.37 1xl4 h MET 121 Cb 0.29 0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.39 1xl4 h MET 121 CO 0.00 -0.12 0.17 -0.07 0.14 0.00 0.00 176.91 177.03 1xl4 h LEU 122 N -0.55 0.81 -0.53 3.39 3.38 -0.39 -2.64 115.31 118.77 1xl4 h LEU 122 Ca -0.04 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1xl4 h LEU 122 Cb 0.40 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1xl4 h LEU 122 CO 0.06 0.77 0.27 1.23 0.09 0.00 0.00 178.44 180.87 1xl4 h GLY 123 N 0.99 0.75 0.95 0.83 0.00 0.97 0.02 103.07 107.58 1xl4 h GLY 123 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1xl4 h GLY 123 CO -0.01 0.12 0.19 -2.00 0.00 0.00 0.00 176.54 174.84 1xl4 h LEU 124 N 0.53 0.50 -0.32 3.11 5.85 -0.81 -0.29 115.31 123.88 1xl4 h LEU 124 Ca 0.23 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1xl4 h LEU 124 Cb 0.14 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1xl4 h LEU 124 CO -0.16 0.48 0.17 0.00 -0.34 0.00 0.00 178.44 178.60 1xl4 h ALA 125 N 1.04 0.39 0.26 1.25 0.00 -1.10 0.15 119.26 121.24 1xl4 h ALA 125 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xl4 h ALA 125 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xl4 h ALA 125 CO -0.02 -0.19 -0.12 0.28 0.00 0.00 0.00 179.25 179.20 1xl4 h VAL 126 N 0.36 0.80 -0.75 0.00 2.07 -0.82 -1.18 116.25 116.73 1xl4 h VAL 126 Ca 0.13 -0.41 0.14 0.00 0.82 0.00 0.00 66.70 67.37 1xl4 h VAL 126 Cb 0.01 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1xl4 h VAL 126 CO -0.07 0.09 0.50 0.00 0.02 0.00 0.00 177.57 178.11 1xl4 h ALA 127 N 0.12 2.03 -0.08 1.67 0.00 -0.87 0.19 119.26 122.32 1xl4 h ALA 127 Ca -0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1xl4 h ALA 127 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xl4 h ALA 127 CO 0.06 -0.22 -0.62 0.00 0.00 0.00 0.00 179.25 178.46 1xl4 h ALA 128 N 1.64 0.78 0.67 0.00 0.00 -0.46 -2.03 119.26 119.87 1xl4 h ALA 128 Ca 0.36 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1xl4 h ALA 128 Cb 0.75 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1xl4 h ALA 128 CO -0.12 0.74 -0.32 0.77 0.00 0.00 0.00 179.25 180.31 1xl4 h SER 129 N 0.22 -0.76 -0.46 0.00 0.02 0.56 -1.74 113.55 111.38 1xl4 h SER 129 Ca -0.01 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.03 1xl4 h SER 129 Cb 1.15 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.79 1xl4 h SER 129 CO 0.10 -0.41 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.11 1xl4 h LEU 130 N -1.12 -0.70 -0.80 5.07 3.38 -1.09 0.18 115.31 120.23 1xl4 h LEU 130 Ca -0.09 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1xl4 h LEU 130 Cb 0.72 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 1xl4 h LEU 130 CO 0.15 -0.23 0.47 0.40 0.09 0.00 0.00 178.44 179.32 1xl4 h ILE 131 N -0.11 0.98 -0.16 1.22 2.04 -1.34 0.74 117.51 120.89 1xl4 h ILE 131 Ca 0.22 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1xl4 h ILE 131 Cb 0.44 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1xl4 h ILE 131 CO -0.53 0.15 -0.01 0.22 0.00 0.00 0.00 178.15 177.99 1xl4 h TYR 132 N 0.84 0.32 -0.34 1.37 3.20 -0.24 -2.68 116.97 119.44 1xl4 h TYR 132 Ca 0.36 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.24 1xl4 h TYR 132 Cb 0.23 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 1xl4 h TYR 132 CO -0.05 0.52 -0.05 0.00 -1.64 0.00 0.00 178.16 176.94 1xl4 h ALA 133 N 0.75 0.26 -0.17 1.82 0.00 -0.09 0.22 119.26 122.05 1xl4 h ALA 133 Ca 0.04 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1xl4 h ALA 133 Cb 0.40 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xl4 h ALA 133 CO 0.01 -0.44 0.16 0.00 0.00 0.00 0.00 179.25 178.98 1xl4 h ARG 134 N 0.04 0.00 0.00 0.00 3.08 -0.83 0.28 114.38 116.95 1xl4 h ARG 134 Ca 0.16 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1xl4 h ARG 134 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1xl4 h ARG 134 CO -0.32 0.00 -0.17 0.74 -1.07 0.00 0.00 179.97 179.15 1xl4 h PHE 135 N 0.00 0.00 -0.69 3.04 0.04 -0.25 -3.26 116.94 115.82 1xl4 h PHE 135 Ca 0.08 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.71 1xl4 h PHE 135 Cb 0.39 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.46 1xl4 h PHE 135 CO 0.00 0.17 0.18 0.25 -0.60 0.00 0.00 178.31 178.31 1xl4 n THR 136 N -3.20 2.88 -2.72 -1.55 -2.24 0.98 -4.42 114.28 104.02 1xl4 n THR 136 Ca 0.02 -1.54 -0.18 0.00 -2.27 0.00 0.00 64.05 60.08 1xl4 n THR 136 Cb 0.51 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1xl4 n THR 136 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xl4 n ARG 137 N 0.13 2.04 -1.61 -0.78 1.74 -1.19 -5.06 116.66 111.94 1xl4 n ARG 137 Ca 0.37 -3.83 -0.35 0.00 -0.77 0.00 0.00 57.85 53.26 1xl4 n ARG 137 Cb 1.33 -1.73 0.08 0.00 -1.02 0.00 0.00 32.46 31.12 1xl4 n ARG 137 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1xl4 s PRO 138 N -3.18 2.38 0.40 5.56 0.02 -1.26 -5.00 135.00 133.92 1xl4 s PRO 138 Ca 0.38 1.85 -0.12 0.00 0.02 0.00 0.00 61.00 63.13 1xl4 s PRO 138 Cb 0.40 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 33.00 1xl4 s PRO 138 CO -0.07 -1.67 0.78 0.95 -0.33 0.00 0.00 177.00 176.66 1xl4 s THR 139 N -1.77 4.75 -0.28 0.99 -4.23 -1.26 -4.88 115.64 108.97 1xl4 s THR 139 Ca 0.77 0.72 0.28 0.00 -1.18 0.00 0.00 61.69 62.28 1xl4 s THR 139 Cb -0.31 -3.71 0.34 0.00 1.34 0.00 0.00 72.50 70.15 1xl4 s THR 139 CO 0.42 -0.48 1.79 0.00 -0.54 0.00 0.00 174.62 175.81 1xl4 h ALA 140 N 1.38 1.00 -6.20 3.99 0.00 -1.95 -3.48 119.26 114.01 1xl4 h ALA 140 Ca -0.47 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.00 1xl4 h ALA 140 Cb 1.19 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.01 1xl4 h ALA 140 CO 0.64 0.00 -0.86 0.41 0.00 0.00 0.00 179.25 179.43 1xl4 n GLY 141 N 0.55 -0.41 3.22 0.00 0.00 -1.26 -4.83 105.19 102.46 1xl4 n GLY 141 Ca 0.03 0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1xl4 n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xl4 s VAL 142 N -3.71 2.09 -0.16 1.61 1.01 -1.26 -0.92 120.40 119.06 1xl4 s VAL 142 Ca 0.09 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 1xl4 s VAL 142 Cb -0.03 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1xl4 s VAL 142 CO 0.84 0.56 0.13 -0.22 0.00 0.00 0.00 175.10 176.41 1xl4 s LEU 143 N 0.35 4.26 -0.00 3.92 2.96 0.43 -4.91 118.68 125.68 1xl4 s LEU 143 Ca -0.18 0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1xl4 s LEU 143 Cb -0.18 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1xl4 s LEU 143 CO 0.09 0.29 0.08 -0.36 -1.32 0.00 0.00 176.35 175.12 1xl4 s PHE 144 N -0.29 3.27 0.40 5.38 0.40 -1.26 -0.98 117.98 124.89 1xl4 s PHE 144 Ca 0.11 0.20 -0.26 0.00 -0.60 0.00 0.00 56.93 56.38 1xl4 s PHE 144 Cb -0.12 -1.73 -0.09 0.00 0.51 0.00 0.00 43.02 41.60 1xl4 s PHE 144 CO 0.01 0.55 1.19 -1.54 0.70 0.00 0.00 175.22 176.13 1xl4 s SER 145 N -1.74 6.52 0.59 1.36 1.04 -0.37 -4.89 113.70 116.21 1xl4 s SER 145 Ca 0.23 2.40 0.35 0.00 0.48 0.00 0.00 55.95 59.41 1xl4 s SER 145 Cb -0.12 -2.62 1.85 0.00 0.10 0.00 0.00 66.02 65.23 1xl4 s SER 145 CO 0.14 -0.68 2.19 0.77 0.98 0.00 0.00 173.24 176.64 1xl4 h SER 146 N 2.70 0.00 -4.68 7.02 4.64 -1.89 -3.45 113.55 117.89 1xl4 h SER 146 Ca -0.49 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.49 1xl4 h SER 146 Cb 1.24 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.18 1xl4 h SER 146 CO 0.63 0.04 -0.60 -0.13 -0.87 0.00 0.00 176.83 175.89 1xl4 s ARG 147 N -4.14 1.42 0.41 4.77 1.81 -1.26 -4.98 118.95 116.98 1xl4 s ARG 147 Ca -0.03 -1.77 0.07 0.00 -1.72 0.00 0.00 55.73 52.28 1xl4 s ARG 147 Cb 0.13 -0.16 -0.05 0.00 -0.45 0.00 0.00 34.95 34.41 1xl4 s ARG 147 CO 0.51 -0.34 0.18 -1.64 -0.68 0.00 0.00 175.30 173.33 1xl4 s MET 148 N -4.01 2.23 0.03 3.54 -1.94 0.10 -4.67 119.30 114.58 1xl4 s MET 148 Ca 0.38 -1.82 -0.10 0.00 -1.71 0.00 0.00 55.69 52.44 1xl4 s MET 148 Cb 0.07 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.92 1xl4 s MET 148 CO 0.14 -0.11 0.19 0.14 -0.01 0.00 0.00 175.02 175.38 1xl4 s VAL 149 N -2.59 0.10 -0.22 -6.03 -7.23 -0.12 -1.59 120.40 102.73 1xl4 s VAL 149 Ca 0.41 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 1xl4 s VAL 149 Cb 0.03 -0.80 0.06 0.00 0.56 0.00 0.00 36.38 36.23 1xl4 s VAL 149 CO 0.23 -0.45 -0.05 -0.63 -0.31 0.00 0.00 175.10 173.89 1xl4 s ILE 150 N -2.25 1.35 0.29 -0.62 1.01 -1.16 1.00 121.20 120.82 1xl4 s ILE 150 Ca -0.08 -1.03 -0.15 0.00 0.00 0.00 0.00 60.65 59.40 1xl4 s ILE 150 Cb -0.03 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.84 1xl4 s ILE 150 CO -0.02 -0.05 0.61 -0.94 0.00 0.00 0.00 174.94 174.53 1xl4 s SER 151 N 1.49 -0.01 0.12 3.58 1.04 -0.78 -0.61 113.70 118.54 1xl4 s SER 151 Ca -0.04 -0.93 -0.31 0.00 0.48 0.00 0.00 55.95 55.15 1xl4 s SER 151 Cb -0.18 0.69 -0.08 0.00 0.10 0.00 0.00 66.02 66.54 1xl4 s SER 151 CO -0.07 -1.32 1.43 -1.81 0.98 0.00 0.00 173.24 172.45 1xl4 s ASP 152 N -3.02 6.78 -0.06 7.02 -0.00 -1.25 -0.00 116.67 126.12 1xl4 s ASP 152 Ca 0.19 2.38 -0.03 0.00 -0.00 0.00 0.00 52.55 55.09 1xl4 s ASP 152 Cb -0.03 -2.59 0.04 0.00 -0.00 0.00 0.00 42.92 40.34 1xl4 s ASP 152 CO 0.10 -0.69 0.12 0.12 -0.00 0.00 0.00 175.17 174.82 1xl4 s PHE 153 N 1.13 -0.09 -1.51 4.23 5.36 -0.46 -4.81 117.98 121.83 1xl4 s PHE 153 Ca 0.66 0.46 -0.06 0.00 -0.96 0.00 0.00 56.93 57.02 1xl4 s PHE 153 Cb -0.38 -0.30 0.01 0.00 -0.34 0.00 0.00 43.02 42.01 1xl4 s PHE 153 CO 0.30 -0.22 0.72 0.39 -1.46 0.00 0.00 175.22 174.95 1xl4 n GLU 154 N 5.09 -5.37 -1.06 10.12 -0.58 -1.26 -2.06 120.64 125.52 1xl4 n GLU 154 Ca -0.09 0.85 -0.02 0.00 -0.42 0.00 0.00 57.16 57.49 1xl4 n GLU 154 Cb 0.50 -5.74 -0.01 0.00 -0.57 0.00 0.00 31.44 25.62 1xl4 n GLU 154 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xl4 n GLY 155 N -1.59 0.52 3.10 0.62 0.00 -1.26 -5.03 105.19 101.54 1xl4 n GLY 155 Ca -0.08 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 1xl4 n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl4 s LYS 156 N -1.22 0.84 0.23 1.61 1.02 -0.87 -5.05 119.74 116.29 1xl4 s LYS 156 Ca 0.00 -0.64 -0.31 0.00 0.02 0.00 0.00 55.97 55.04 1xl4 s LYS 156 Cb 0.00 -0.81 -0.11 0.00 -0.52 0.00 0.00 37.83 36.39 1xl4 s LYS 156 CO 0.00 0.20 1.63 -2.14 -0.92 0.00 0.00 175.35 174.12 1xl4 s PRO 157 N -0.92 4.15 -0.05 -1.68 0.02 -1.26 -1.36 135.00 133.90 1xl4 s PRO 157 Ca 0.01 2.52 0.01 0.00 0.02 0.00 0.00 61.00 63.56 1xl4 s PRO 157 Cb -0.07 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.39 1xl4 s PRO 157 CO 0.01 -0.66 -0.06 0.99 -0.33 0.00 0.00 177.00 176.95 1xl4 s THR 158 N 0.72 0.65 0.02 0.99 2.01 1.00 -0.91 115.64 120.12 1xl4 s THR 158 Ca 0.69 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 1xl4 s THR 158 Cb -0.47 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1xl4 s THR 158 CO 0.37 0.25 1.02 -0.22 -0.69 0.00 0.00 174.62 175.35 1xl4 s LEU 159 N 0.84 4.38 0.09 4.42 2.96 -0.68 -1.86 118.68 128.84 1xl4 s LEU 159 Ca -0.12 1.73 0.02 0.00 -0.22 0.00 0.00 54.13 55.54 1xl4 s LEU 159 Cb -0.15 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1xl4 s LEU 159 CO 0.01 -0.29 -0.06 -0.04 -1.32 0.00 0.00 176.35 174.65 1xl4 s MET 160 N 0.96 0.80 0.15 1.98 -1.94 0.28 -0.63 119.30 120.90 1xl4 s MET 160 Ca 0.53 -1.29 -0.25 0.00 -1.71 0.00 0.00 55.69 52.98 1xl4 s MET 160 Cb -0.23 -0.18 0.06 0.00 2.01 0.00 0.00 34.83 36.49 1xl4 s MET 160 CO 0.28 -0.02 0.83 0.00 -0.01 0.00 0.00 175.02 176.11 1xl4 s MET 161 N -3.68 1.26 0.08 2.03 0.23 -1.06 -0.94 119.30 117.23 1xl4 s MET 161 Ca 0.10 -0.63 -0.06 0.00 -1.03 0.00 0.00 55.69 54.07 1xl4 s MET 161 Cb 0.04 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.81 1xl4 s MET 161 CO -0.05 -0.57 0.13 -0.98 -2.03 0.00 0.00 175.02 171.52 1xl4 s ARG 162 N -3.47 0.78 0.17 3.16 1.70 -1.26 -1.33 118.95 118.69 1xl4 s ARG 162 Ca 0.09 -1.04 0.08 0.00 -0.47 0.00 0.00 55.73 54.38 1xl4 s ARG 162 Cb -0.02 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 1xl4 s ARG 162 CO -0.02 -0.22 -0.16 -0.51 -1.08 0.00 0.00 175.30 173.31 1xl4 s LEU 163 N -2.88 2.47 0.01 -1.89 1.02 -0.32 -1.24 118.68 115.85 1xl4 s LEU 163 Ca 0.06 -0.90 0.00 0.00 0.02 0.00 0.00 54.13 53.31 1xl4 s LEU 163 Cb 0.06 -0.72 -0.01 0.00 0.02 0.00 0.00 46.19 45.54 1xl4 s LEU 163 CO -0.10 -0.10 -0.03 0.00 0.02 0.00 0.00 176.35 176.14 1xl4 s ALA 164 N -2.35 0.16 -0.15 4.21 0.00 -0.15 -0.70 121.76 122.77 1xl4 s ALA 164 Ca 0.16 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 1xl4 s ALA 164 Cb -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 1xl4 s ALA 164 CO 0.06 -0.06 0.72 1.21 0.00 0.00 0.00 175.76 177.69 1xl4 s ASN 165 N -0.81 6.87 0.00 0.00 3.84 -0.35 -0.43 114.94 124.06 1xl4 s ASN 165 Ca -0.08 1.05 0.22 0.00 0.21 0.00 0.00 52.86 54.27 1xl4 s ASN 165 Cb -0.06 -2.40 0.74 0.00 -0.55 0.00 0.00 41.25 38.98 1xl4 s ASN 165 CO -0.00 -0.27 1.55 0.18 -2.79 0.00 0.00 177.10 175.77 1xl4 n LEU 166 N 4.73 1.90 -4.56 3.21 4.77 -0.09 -4.84 117.00 122.11 1xl4 n LEU 166 Ca 0.01 -0.77 -0.25 0.00 -0.03 0.00 0.00 56.01 54.97 1xl4 n LEU 166 Cb 0.50 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 1xl4 n LEU 166 CO 0.46 0.38 -0.38 -0.13 -1.33 0.00 0.00 177.39 176.40 1xl4 s ARG 167 N -1.80 1.88 0.12 3.23 0.52 -1.26 -5.04 118.95 116.60 1xl4 s ARG 167 Ca 0.34 -1.85 -0.02 0.00 -0.52 0.00 0.00 55.73 53.68 1xl4 s ARG 167 Cb 0.19 -1.79 -0.13 0.00 0.52 0.00 0.00 34.95 33.74 1xl4 s ARG 167 CO 0.28 0.18 1.27 0.82 0.02 0.00 0.00 175.30 177.87 1xl4 h ILE 168 N 2.00 1.47 -3.95 1.52 2.04 -1.93 -3.44 117.51 115.21 1xl4 h ILE 168 Ca -0.42 -2.73 -0.50 0.00 1.00 0.00 0.00 64.86 62.21 1xl4 h ILE 168 Cb 1.25 2.62 0.05 0.00 -0.74 0.00 0.00 36.82 40.00 1xl4 h ILE 168 CO 0.68 0.80 0.49 -1.61 0.00 0.00 0.00 178.15 178.50 1xl4 s GLU 169 N -3.04 4.03 0.32 2.37 8.01 -1.26 -5.01 118.70 124.12 1xl4 s GLU 169 Ca -0.04 1.78 -0.07 0.00 0.01 0.00 0.00 54.97 56.65 1xl4 s GLU 169 Cb 0.09 -2.62 -0.06 0.00 -4.31 0.00 0.00 34.13 27.24 1xl4 s GLU 169 CO 0.86 -0.32 0.62 -0.65 0.01 0.00 0.00 175.26 175.78 1xl4 s GLN 170 N -2.38 3.68 -0.14 1.61 -0.21 -1.26 -4.90 119.66 116.05 1xl4 s GLN 170 Ca 0.58 0.15 -0.04 0.00 0.02 0.00 0.00 55.36 56.07 1xl4 s GLN 170 Cb -0.29 -2.57 -0.03 0.00 1.00 0.00 0.00 33.01 31.12 1xl4 s GLN 170 CO 0.36 0.14 -0.02 0.42 -2.12 0.00 0.00 175.29 174.07 1xl4 s ILE 171 N -2.17 4.11 0.31 1.08 1.01 -0.80 -2.58 121.20 122.16 1xl4 s ILE 171 Ca 0.46 -0.29 0.10 0.00 0.00 0.00 0.00 60.65 60.92 1xl4 s ILE 171 Cb -0.11 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1xl4 s ILE 171 CO 0.30 0.51 -0.08 0.27 0.00 0.00 0.00 174.94 175.94 1xl4 s ILE 172 N 0.07 2.65 -1.43 2.92 -4.36 0.68 0.09 121.20 121.81 1xl4 s ILE 172 Ca 0.01 -2.16 -0.09 0.00 -0.26 0.00 0.00 60.65 58.15 1xl4 s ILE 172 Cb -0.13 -2.61 0.05 0.00 1.25 0.00 0.00 42.46 41.02 1xl4 s ILE 172 CO 0.02 -0.30 0.96 -0.62 0.24 0.00 0.00 174.94 175.24 1xl4 n GLU 173 N -0.80 -5.93 -3.23 0.37 1.02 -0.89 -0.65 120.64 110.54 1xl4 n GLU 173 Ca -0.05 0.66 -0.33 0.00 -0.02 0.00 0.00 57.16 57.42 1xl4 n GLU 173 Cb 0.61 -5.52 -0.06 0.00 -0.02 0.00 0.00 31.44 26.46 1xl4 n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xl4 s ALA 174 N -3.39 3.41 0.08 0.62 0.00 -0.78 -4.41 121.76 117.29 1xl4 s ALA 174 Ca 0.47 -0.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 1xl4 s ALA 174 Cb -0.23 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.25 1xl4 s ALA 174 CO 0.80 0.39 0.33 0.16 0.00 0.00 0.00 175.76 177.44 1xl4 s ASP 175 N -2.22 -0.13 0.11 0.00 -4.77 -0.44 -0.59 116.67 108.63 1xl4 s ASP 175 Ca 0.50 -0.29 0.04 0.00 -3.30 0.00 0.00 52.55 49.51 1xl4 s ASP 175 Cb -0.11 0.40 -0.04 0.00 -1.09 0.00 0.00 42.92 42.08 1xl4 s ASP 175 CO 0.19 -0.71 -0.11 0.54 0.70 0.00 0.00 175.17 175.77 1xl4 s VAL 176 N -3.14 1.09 -0.11 2.11 0.11 0.12 -1.57 120.40 119.00 1xl4 s VAL 176 Ca -0.01 -1.70 0.01 0.00 -2.93 0.00 0.00 61.98 57.35 1xl4 s VAL 176 Cb 0.01 -1.45 0.02 0.00 -1.53 0.00 0.00 36.38 33.43 1xl4 s VAL 176 CO -0.07 -0.53 -0.13 -1.00 -3.33 0.00 0.00 175.10 170.04 1xl4 s HIS 177 N -2.41 1.85 -0.31 1.54 3.76 0.15 -4.83 115.29 115.05 1xl4 s HIS 177 Ca 0.07 -0.90 -0.03 0.00 -0.15 0.00 0.00 55.06 54.05 1xl4 s HIS 177 Cb -0.03 -1.38 0.05 0.00 1.11 0.00 0.00 32.58 32.33 1xl4 s HIS 177 CO 0.01 -0.50 0.03 -1.17 -0.85 0.00 0.00 174.74 172.26 1xl4 s LEU 178 N 1.20 4.03 -0.12 0.89 2.96 -1.26 -1.30 118.68 125.08 1xl4 s LEU 178 Ca -0.03 -1.25 0.01 0.00 -0.22 0.00 0.00 54.13 52.64 1xl4 s LEU 178 Cb -0.14 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 1xl4 s LEU 178 CO -0.04 -0.28 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.85 1xl4 s VAL 179 N 1.29 2.72 0.11 1.68 1.01 0.68 0.41 120.40 128.32 1xl4 s VAL 179 Ca -0.04 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 1xl4 s VAL 179 Cb -0.20 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 1xl4 s VAL 179 CO -0.00 0.54 0.68 -0.22 0.00 0.00 0.00 175.10 176.09 1xl4 s LEU 180 N 0.33 4.56 -0.15 3.92 2.96 0.33 0.13 118.68 130.74 1xl4 s LEU 180 Ca -0.13 1.45 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 1xl4 s LEU 180 Cb -0.17 -3.10 0.04 0.00 0.50 0.00 0.00 46.19 43.46 1xl4 s LEU 180 CO 0.07 0.23 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.61 1xl4 s VAL 181 N -1.06 0.82 0.15 1.68 1.01 -0.01 -1.00 120.40 122.00 1xl4 s VAL 181 Ca 0.33 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1xl4 s VAL 181 Cb -0.21 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1xl4 s VAL 181 CO 0.23 0.09 0.22 0.00 0.00 0.00 0.00 175.10 175.63 1xl4 s ARG 182 N 1.76 1.07 0.02 2.72 1.70 -1.15 -0.39 118.95 124.68 1xl4 s ARG 182 Ca 0.01 -1.23 -0.21 0.00 -0.47 0.00 0.00 55.73 53.84 1xl4 s ARG 182 Cb -0.15 0.34 -0.06 0.00 -0.57 0.00 0.00 34.95 34.51 1xl4 s ARG 182 CO -0.07 -0.37 0.62 -1.12 -1.08 0.00 0.00 175.30 173.29 1xl4 s SER 183 N -2.98 7.04 0.21 -2.89 0.01 0.35 -1.28 113.70 114.16 1xl4 s SER 183 Ca 0.18 1.24 0.01 0.00 1.31 0.00 0.00 55.95 58.69 1xl4 s SER 183 Cb 0.05 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 1xl4 s SER 183 CO -0.01 0.12 0.07 -1.61 0.41 0.00 0.00 173.24 172.23 1xl4 s GLU 184 N -0.38 1.22 -0.16 12.44 2.02 -0.08 -4.76 118.70 128.99 1xl4 s GLU 184 Ca 0.32 -1.63 0.01 0.00 0.02 0.00 0.00 54.97 53.69 1xl4 s GLU 184 Cb -0.19 -0.07 0.01 0.00 0.10 0.00 0.00 34.13 33.98 1xl4 s GLU 184 CO 0.19 -0.27 -0.20 0.42 0.02 0.00 0.00 175.26 175.42 1xl4 s ILE 185 N -3.86 2.18 0.95 -1.63 1.01 -1.26 -1.66 121.20 116.93 1xl4 s ILE 185 Ca 0.33 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1xl4 s ILE 185 Cb 0.07 -1.90 0.17 0.00 0.01 0.00 0.00 42.46 40.81 1xl4 s ILE 185 CO 0.09 0.54 1.21 -0.94 0.00 0.00 0.00 174.94 175.83 1xl4 s SER 186 N 1.06 3.17 0.20 3.58 1.04 0.17 -4.86 113.70 118.07 1xl4 s SER 186 Ca -0.01 0.64 -0.08 0.00 0.48 0.00 0.00 55.95 56.98 1xl4 s SER 186 Cb -0.14 -0.96 0.13 0.00 0.10 0.00 0.00 66.02 65.14 1xl4 s SER 186 CO -0.07 -2.73 1.74 1.56 0.98 0.00 0.00 173.24 174.72 1xl4 h GLN 187 N -1.63 1.16 -0.17 4.02 4.20 -2.00 -0.70 115.11 119.99 1xl4 h GLN 187 Ca -0.47 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 57.99 1xl4 h GLN 187 Cb 1.29 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1xl4 h GLN 187 CO 0.50 0.99 0.00 0.39 -0.67 0.00 0.00 178.83 180.05 1xl4 n GLU 188 N -4.25 0.47 -2.59 1.46 4.71 -1.26 -4.77 120.64 114.41 1xl4 n GLU 188 Ca 0.06 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 57.03 1xl4 n GLU 188 Cb 0.24 -1.09 0.01 0.00 -1.01 0.00 0.00 31.44 29.59 1xl4 n GLU 188 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xl4 n GLY 189 N 0.08 -0.33 3.81 0.62 0.00 -0.27 -5.00 105.19 104.09 1xl4 n GLY 189 Ca 0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1xl4 n GLY 189 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xl4 s MET 190 N -5.16 3.22 -0.26 1.61 0.00 -1.25 -4.82 119.30 112.64 1xl4 s MET 190 Ca 0.12 -0.32 -0.09 0.00 0.00 0.00 0.00 55.69 55.39 1xl4 s MET 190 Cb -0.05 -2.99 -0.04 0.00 0.00 0.00 0.00 34.83 31.75 1xl4 s MET 190 CO 0.15 0.71 0.13 0.14 0.00 0.00 0.00 175.02 176.14 1xl4 s VAL 191 N -1.08 4.78 0.12 10.11 -7.23 -1.26 0.41 120.40 126.25 1xl4 s VAL 191 Ca 0.18 -0.01 -0.04 0.00 -1.81 0.00 0.00 61.98 60.31 1xl4 s VAL 191 Cb -0.12 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.54 1xl4 s VAL 191 CO 0.08 0.30 0.11 0.72 -0.31 0.00 0.00 175.10 176.00 1xl4 s PHE 192 N 1.66 0.59 -0.20 2.82 -0.12 -0.66 -4.96 117.98 117.11 1xl4 s PHE 192 Ca 0.07 -1.01 -0.13 0.00 -0.05 0.00 0.00 56.93 55.81 1xl4 s PHE 192 Cb -0.15 -0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 41.88 1xl4 s PHE 192 CO 0.07 -0.54 0.27 1.03 -0.05 0.00 0.00 175.22 176.00 1xl4 s ARG 193 N -3.98 4.16 -0.06 1.99 1.81 -1.26 -0.91 118.95 120.71 1xl4 s ARG 193 Ca 0.17 -0.02 0.06 0.00 -1.72 0.00 0.00 55.73 54.22 1xl4 s ARG 193 Cb 0.06 -3.50 -0.01 0.00 -0.45 0.00 0.00 34.95 31.05 1xl4 s ARG 193 CO -0.03 0.10 -0.24 0.50 -0.68 0.00 0.00 175.30 174.95 1xl4 s ARG 194 N 0.92 2.55 0.06 3.54 3.52 -0.40 -4.96 118.95 124.18 1xl4 s ARG 194 Ca 0.14 -0.88 -0.18 0.00 -0.13 0.00 0.00 55.73 54.67 1xl4 s ARG 194 Cb -0.13 -2.19 -0.06 0.00 -1.56 0.00 0.00 34.95 31.00 1xl4 s ARG 194 CO 0.05 0.40 0.54 -0.06 -0.81 0.00 0.00 175.30 175.42 1xl4 s PHE 195 N -0.21 3.79 -0.24 5.12 0.40 -1.26 -2.93 117.98 122.64 1xl4 s PHE 195 Ca -0.02 1.21 -0.01 0.00 -0.60 0.00 0.00 56.93 57.51 1xl4 s PHE 195 Cb -0.13 -2.45 0.07 0.00 0.51 0.00 0.00 43.02 41.02 1xl4 s PHE 195 CO 0.03 0.60 0.04 -1.01 0.70 0.00 0.00 175.22 175.58 1xl4 s HIS 196 N -1.11 1.54 0.14 0.36 3.76 -0.17 -4.96 115.29 114.84 1xl4 s HIS 196 Ca 0.28 -1.35 -0.31 0.00 -0.15 0.00 0.00 55.06 53.54 1xl4 s HIS 196 Cb -0.19 -1.38 -0.08 0.00 1.11 0.00 0.00 32.58 32.04 1xl4 s HIS 196 CO 0.18 -0.74 1.33 0.34 -0.85 0.00 0.00 174.74 175.00 1xl4 s ASP 197 N 1.68 6.90 -0.15 1.40 -1.08 -1.26 -0.52 116.67 123.64 1xl4 s ASP 197 Ca 0.02 2.30 -0.12 0.00 -0.52 0.00 0.00 52.55 54.23 1xl4 s ASP 197 Cb -0.17 -2.59 -0.05 0.00 -1.46 0.00 0.00 42.92 38.64 1xl4 s ASP 197 CO -0.14 -0.57 0.26 -0.76 0.52 0.00 0.00 175.17 174.48 1xl4 s LEU 198 N 0.64 4.27 -0.01 -1.34 1.43 0.17 -4.93 118.68 118.91 1xl4 s LEU 198 Ca 0.61 0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.90 1xl4 s LEU 198 Cb -0.35 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.49 1xl4 s LEU 198 CO 0.33 0.17 1.74 -0.89 0.23 0.00 0.00 176.35 177.93 1xl4 s THR 199 N 0.15 3.33 0.22 5.49 2.01 -1.26 -4.59 115.64 120.98 1xl4 s THR 199 Ca 0.15 0.47 0.03 0.00 0.31 0.00 0.00 61.69 62.65 1xl4 s THR 199 Cb -0.13 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 1xl4 s THR 199 CO 0.04 -0.03 0.37 -0.76 -0.69 0.00 0.00 174.62 173.54 1xl4 s LEU 200 N 3.91 4.27 0.33 4.42 1.43 -1.26 -4.20 118.68 127.58 1xl4 s LEU 200 Ca 0.78 0.20 0.12 0.00 -1.03 0.00 0.00 54.13 54.20 1xl4 s LEU 200 Cb -0.37 -2.99 0.55 0.00 0.03 0.00 0.00 46.19 43.42 1xl4 s LEU 200 CO 0.33 -0.06 1.73 0.71 0.23 0.00 0.00 176.35 179.29 1xl4 h THR 201 N 1.32 1.34 -1.76 5.49 1.35 -1.41 -3.42 112.91 115.82 1xl4 h THR 201 Ca -0.50 -1.67 0.05 0.00 -0.55 0.00 0.00 66.41 63.74 1xl4 h THR 201 Cb 1.21 1.90 -0.22 0.00 -1.73 0.00 0.00 68.15 69.32 1xl4 h THR 201 CO 0.64 0.48 -0.22 -0.60 -0.25 0.00 0.00 175.52 175.57 1xl4 s ARG 202 N -3.91 0.53 -0.04 4.72 3.52 -1.26 -5.04 118.95 117.47 1xl4 s ARG 202 Ca -0.02 1.22 0.17 0.00 -0.13 0.00 0.00 55.73 56.97 1xl4 s ARG 202 Cb 0.13 0.64 0.53 0.00 -1.56 0.00 0.00 34.95 34.69 1xl4 s ARG 202 CO 0.74 -0.36 1.45 -1.13 -0.81 0.00 0.00 175.30 175.19 1xl4 n SER 203 N 5.43 3.77 -3.99 -2.12 3.41 -1.26 -4.74 113.62 114.12 1xl4 n SER 203 Ca -0.08 -2.20 -0.12 0.00 -0.26 0.00 0.00 58.87 56.21 1xl4 n SER 203 Cb 0.50 -0.42 -0.12 0.00 -0.26 0.00 0.00 64.21 63.90 1xl4 n SER 203 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xl4 s ARG 204 N -1.37 0.36 -0.15 4.33 0.52 -1.26 -0.70 118.95 120.67 1xl4 s ARG 204 Ca 0.39 -0.49 -0.01 0.00 -0.52 0.00 0.00 55.73 55.11 1xl4 s ARG 204 Cb 0.23 -0.14 0.04 0.00 0.52 0.00 0.00 34.95 35.60 1xl4 s ARG 204 CO 0.23 0.02 -0.03 0.45 0.02 0.00 0.00 175.30 175.99 1xl4 s SER 205 N -1.03 2.61 0.16 0.23 0.15 0.24 -4.97 113.70 111.10 1xl4 s SER 205 Ca -0.08 -0.58 -0.15 0.00 0.70 0.00 0.00 55.95 55.83 1xl4 s SER 205 Cb -0.07 -0.78 0.04 0.00 -1.71 0.00 0.00 66.02 63.50 1xl4 s SER 205 CO -0.00 -0.20 1.81 1.55 1.20 0.00 0.00 173.24 177.59 1xl4 h PRO 206 N 8.18 0.51 -3.62 5.44 0.13 -1.93 -2.08 132.00 138.62 1xl4 h PRO 206 Ca -0.22 -0.03 -0.57 0.00 -0.87 0.00 0.00 66.00 64.31 1xl4 h PRO 206 Cb 1.12 -0.12 -0.40 0.00 0.13 0.00 0.00 31.00 31.73 1xl4 h PRO 206 CO 0.37 0.34 -0.76 0.42 -0.23 0.00 0.00 178.00 178.14 1xl4 s ILE 207 N -6.15 0.85 -0.58 -3.56 1.01 -1.26 -2.08 121.20 109.42 1xl4 s ILE 207 Ca -0.13 -1.19 -0.21 0.00 0.00 0.00 0.00 60.65 59.12 1xl4 s ILE 207 Cb 0.11 -1.53 0.07 0.00 0.01 0.00 0.00 42.46 41.12 1xl4 s ILE 207 CO 0.73 -0.52 0.81 0.12 0.00 0.00 0.00 174.94 176.08 1xl4 s PHE 208 N 1.65 2.87 0.00 3.97 5.36 0.11 -4.83 117.98 127.11 1xl4 s PHE 208 Ca 0.06 -0.52 0.00 0.00 -0.96 0.00 0.00 56.93 55.51 1xl4 s PHE 208 Cb -0.17 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.53 1xl4 s PHE 208 CO -0.20 -1.34 0.00 -1.13 -1.46 0.00 0.00 175.22 171.09 1xl4 n SER 209 N 6.95 4.37 0.00 6.13 3.41 -1.26 -1.91 113.62 131.31 1xl4 n SER 209 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1xl4 n SER 209 Cb 0.45 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 1xl4 n SER 209 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xl4 n LEU 210 N -1.71 0.00 -4.19 1.04 4.77 -1.26 -4.60 117.00 111.06 1xl4 n LEU 210 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1xl4 n LEU 210 Cb 0.35 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 1xl4 n LEU 210 CO 0.00 0.00 -0.41 -0.55 -1.33 0.00 0.00 177.39 175.10 1xl4 s SER 211 N 0.85 1.47 -0.12 -1.43 0.15 -1.26 -1.21 113.70 112.14 1xl4 s SER 211 Ca 0.00 -0.86 -0.05 0.00 0.70 0.00 0.00 55.95 55.74 1xl4 s SER 211 Cb 0.00 0.01 0.06 0.00 -1.71 0.00 0.00 66.02 64.38 1xl4 s SER 211 CO 0.00 -0.29 0.24 0.86 1.20 0.00 0.00 173.24 175.25 1xl4 s TRP 212 N -2.70 -0.37 -0.38 3.44 -0.00 0.12 -4.99 118.94 114.06 1xl4 s TRP 212 Ca 0.08 0.88 -0.15 0.00 -0.00 0.00 0.00 56.10 56.91 1xl4 s TRP 212 Cb -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 33.47 33.42 1xl4 s TRP 212 CO -0.00 -0.31 0.32 0.99 -0.00 0.00 0.00 176.95 177.94 1xl4 s THR 213 N 2.12 5.22 -0.02 5.86 2.01 -1.26 -1.18 115.64 128.39 1xl4 s THR 213 Ca -0.01 -0.36 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 1xl4 s THR 213 Cb -0.12 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 1xl4 s THR 213 CO -0.08 -0.21 0.57 -0.69 -0.69 0.00 0.00 174.62 173.52 1xl4 s VAL 214 N 1.83 4.95 0.01 3.82 1.01 -0.45 -4.97 120.40 126.60 1xl4 s VAL 214 Ca 0.08 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.28 1xl4 s VAL 214 Cb -0.18 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1xl4 s VAL 214 CO 0.11 0.42 -0.13 -0.04 0.00 0.00 0.00 175.10 175.46 1xl4 s MET 215 N -0.18 0.97 -0.36 2.72 -1.94 -1.26 -2.55 119.30 116.71 1xl4 s MET 215 Ca 0.30 -0.60 0.02 0.00 -1.71 0.00 0.00 55.69 53.70 1xl4 s MET 215 Cb -0.18 -0.95 0.11 0.00 2.01 0.00 0.00 34.83 35.82 1xl4 s MET 215 CO 0.16 0.25 0.10 -1.58 -0.01 0.00 0.00 175.02 173.94 1xl4 s HIS 216 N -0.58 2.89 0.27 -0.03 2.46 0.20 -0.90 115.29 119.60 1xl4 s HIS 216 Ca 0.03 -2.57 -0.30 0.00 0.47 0.00 0.00 55.06 52.69 1xl4 s HIS 216 Cb -0.06 -2.44 -0.11 0.00 -0.13 0.00 0.00 32.58 29.84 1xl4 s HIS 216 CO 0.00 -0.89 1.52 -2.14 -2.47 0.00 0.00 174.74 170.76 1xl4 s PRO 217 N 0.95 4.19 -1.19 2.88 0.02 -1.26 -1.68 135.00 138.91 1xl4 s PRO 217 Ca 0.12 2.44 -0.10 0.00 0.02 0.00 0.00 61.00 63.48 1xl4 s PRO 217 Cb -0.20 -3.06 0.21 0.00 0.02 0.00 0.00 34.50 31.47 1xl4 s PRO 217 CO -0.12 -0.53 1.50 -0.89 -0.33 0.00 0.00 177.00 176.64 1xl4 n ILE 218 N 2.22 4.50 -2.81 2.83 5.41 -0.08 -4.79 119.36 126.64 1xl4 n ILE 218 Ca 0.07 -4.94 -0.22 0.00 1.00 0.00 0.00 62.75 58.66 1xl4 n ILE 218 Cb 0.39 -2.40 0.10 0.00 -0.71 0.00 0.00 39.64 37.01 1xl4 n ILE 218 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1xl4 s ASP 219 N 1.33 4.58 0.52 4.38 3.84 -1.26 -4.72 116.67 125.33 1xl4 s ASP 219 Ca 0.38 -0.67 0.34 0.00 -0.00 0.00 0.00 52.55 52.59 1xl4 s ASP 219 Cb 0.00 0.29 1.48 0.00 -1.38 0.00 0.00 42.92 43.31 1xl4 s ASP 219 CO 0.00 -1.72 1.79 0.45 -0.00 0.00 0.00 175.17 175.69 1xl4 h HIS 220 N -0.27 0.13 0.00 2.11 3.86 -1.98 0.30 115.15 119.30 1xl4 h HIS 220 Ca -0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 1xl4 h HIS 220 Cb 1.27 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1xl4 h HIS 220 CO 0.05 0.00 0.00 0.72 0.86 0.00 0.00 177.93 179.56 1xl4 n HIS 221 N -4.27 0.00 -2.64 2.45 8.25 -1.26 -4.89 115.22 112.87 1xl4 n HIS 221 Ca 0.26 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.32 1xl4 n HIS 221 Cb 1.21 -0.46 -0.05 0.00 1.12 0.00 0.00 29.99 31.81 1xl4 n HIS 221 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xl4 s SER 222 N -2.92 7.49 0.48 0.41 0.15 0.11 -4.95 113.70 114.47 1xl4 s SER 222 Ca 0.16 2.08 0.32 0.00 0.70 0.00 0.00 55.95 59.21 1xl4 s SER 222 Cb 0.18 -2.62 1.45 0.00 -1.71 0.00 0.00 66.02 63.32 1xl4 s SER 222 CO 0.48 0.03 1.96 -0.65 1.20 0.00 0.00 173.24 176.26 1xl4 h PRO 223 N 4.00 0.00 -0.30 5.44 0.11 -1.90 -2.14 132.00 137.21 1xl4 h PRO 223 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xl4 h PRO 223 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xl4 h PRO 223 CO 0.67 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.90 1xl4 n ILE 224 N -2.81 2.19 -2.01 4.15 -5.35 -1.26 -4.91 119.36 109.36 1xl4 n ILE 224 Ca 0.00 -1.75 -0.42 0.00 -0.27 0.00 0.00 62.75 60.31 1xl4 n ILE 224 Cb 0.22 -0.18 -0.03 0.00 -1.74 0.00 0.00 39.64 37.92 1xl4 n ILE 224 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1xl4 s TYR 225 N -2.63 1.98 0.00 4.28 5.04 -0.81 -1.83 117.35 123.38 1xl4 s TYR 225 Ca 0.41 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 1xl4 s TYR 225 Cb 0.33 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.72 1xl4 s TYR 225 CO 0.10 -3.83 0.00 0.41 -1.34 0.00 0.00 175.55 170.89 1xl4 n GLY 226 N 4.15 1.05 3.86 8.97 0.00 -1.26 -5.03 105.19 116.92 1xl4 n GLY 226 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1xl4 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xl4 s GLU 227 N -0.49 2.71 0.27 1.61 0.41 -0.76 -5.06 118.70 117.39 1xl4 s GLU 227 Ca 0.00 0.55 0.02 0.00 -0.41 0.00 0.00 54.97 55.13 1xl4 s GLU 227 Cb 0.00 -2.00 -0.04 0.00 -1.78 0.00 0.00 34.13 30.31 1xl4 s GLU 227 CO 0.00 -1.16 0.16 0.95 -0.49 0.00 0.00 175.26 174.72 1xl4 s THR 228 N -3.28 0.25 0.36 3.63 -4.23 -1.26 -4.99 115.64 106.11 1xl4 s THR 228 Ca 0.59 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 1xl4 s THR 228 Cb -0.12 -2.53 0.30 0.00 1.34 0.00 0.00 72.50 71.49 1xl4 s THR 228 CO 0.53 0.00 1.94 -0.78 -0.54 0.00 0.00 174.62 175.76 1xl4 h ASP 229 N 2.33 0.68 0.39 3.99 1.82 -1.98 -0.47 116.42 123.18 1xl4 h ASP 229 Ca -0.34 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.29 1xl4 h ASP 229 Cb 1.25 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1xl4 h ASP 229 CO 0.52 0.42 -0.19 -0.08 -1.61 0.00 0.00 179.24 178.30 1xl4 h GLU 230 N 0.76 -0.51 -0.79 0.28 4.81 -2.00 -2.36 114.58 114.78 1xl4 h GLU 230 Ca 0.35 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.64 1xl4 h GLU 230 Cb 0.35 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1xl4 h GLU 230 CO -0.13 -0.20 0.52 1.79 -0.73 0.00 0.00 179.01 180.27 1xl4 h THR 231 N -0.87 1.14 -0.63 0.32 1.35 -1.87 -1.32 112.91 111.03 1xl4 h THR 231 Ca -0.05 -0.34 -0.06 0.00 -0.55 0.00 0.00 66.41 65.41 1xl4 h THR 231 Cb 0.55 0.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.00 1xl4 h THR 231 CO 0.09 0.18 0.18 -0.07 -0.25 0.00 0.00 175.52 175.65 1xl4 h LEU 232 N 0.99 0.94 -0.44 3.87 3.38 -1.11 -2.92 115.31 120.02 1xl4 h LEU 232 Ca 0.31 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1xl4 h LEU 232 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1xl4 h LEU 232 CO -0.09 0.91 0.28 0.03 0.09 0.00 0.00 178.44 179.67 1xl4 h ARG 233 N 0.92 0.56 -0.14 1.13 3.08 -0.71 -1.79 114.38 117.43 1xl4 h ARG 233 Ca 0.20 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1xl4 h ARG 233 Cb 0.32 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1xl4 h ARG 233 CO -0.00 0.37 0.03 -0.91 -1.07 0.00 0.00 179.97 178.39 1xl4 h ASN 234 N 0.58 0.18 0.22 7.04 2.35 -1.22 -0.77 115.58 123.96 1xl4 h ASN 234 Ca 0.17 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1xl4 h ASN 234 Cb -0.04 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1xl4 h ASN 234 CO -0.05 0.19 -0.17 -1.54 -1.65 0.00 0.00 177.43 174.21 1xl4 n SER 235 N -4.44 0.93 -3.36 5.81 3.41 -1.04 -4.93 113.62 109.99 1xl4 n SER 235 Ca -0.01 -0.90 -0.19 0.00 -0.26 0.00 0.00 58.87 57.51 1xl4 n SER 235 Cb 0.13 0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.22 1xl4 n SER 235 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1xl4 n HIS 236 N -0.61 -2.37 -2.14 7.33 -0.00 -0.29 -0.50 115.22 116.63 1xl4 n HIS 236 Ca 0.14 0.93 -0.41 0.00 0.46 0.00 0.00 57.72 58.83 1xl4 n HIS 236 Cb 0.32 -4.89 -0.03 0.00 -0.12 0.00 0.00 29.99 25.27 1xl4 n HIS 236 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xl4 s SER 237 N -3.86 6.81 0.25 0.26 0.01 -0.72 -4.58 113.70 111.88 1xl4 s SER 237 Ca 0.25 2.48 0.03 0.00 1.31 0.00 0.00 55.95 60.02 1xl4 s SER 237 Cb -0.11 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 1xl4 s SER 237 CO 0.69 -0.60 0.03 -1.61 0.41 0.00 0.00 173.24 172.16 1xl4 s GLU 238 N -0.07 1.41 -0.08 12.44 2.02 0.48 -3.56 118.70 131.34 1xl4 s GLU 238 Ca 0.58 -1.74 -0.00 0.00 0.02 0.00 0.00 54.97 53.84 1xl4 s GLU 238 Cb -0.38 -0.59 0.02 0.00 0.10 0.00 0.00 34.13 33.28 1xl4 s GLU 238 CO 0.39 -0.15 -0.05 -0.06 0.02 0.00 0.00 175.26 175.41 1xl4 s PHE 239 N -3.47 1.04 -0.10 1.61 0.40 0.29 -0.83 117.98 116.92 1xl4 s PHE 239 Ca 0.32 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 56.22 1xl4 s PHE 239 Cb 0.07 -0.94 -0.03 0.00 0.51 0.00 0.00 43.02 42.63 1xl4 s PHE 239 CO 0.11 -0.35 0.02 -1.17 0.70 0.00 0.00 175.22 174.53 1xl4 s LEU 240 N 1.49 3.70 -0.08 -0.37 2.96 0.12 -0.26 118.68 126.24 1xl4 s LEU 240 Ca -0.01 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1xl4 s LEU 240 Cb -0.13 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.71 1xl4 s LEU 240 CO -0.04 0.37 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.56 1xl4 s VAL 241 N -0.80 1.04 -0.06 1.68 1.01 0.23 -0.23 120.40 123.27 1xl4 s VAL 241 Ca 0.12 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1xl4 s VAL 241 Cb -0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1xl4 s VAL 241 CO 0.02 0.35 -0.25 -0.22 0.00 0.00 0.00 175.10 175.00 1xl4 s LEU 242 N 0.98 2.07 -0.02 3.92 2.96 -0.42 -1.58 118.68 126.59 1xl4 s LEU 242 Ca -0.09 -0.52 0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1xl4 s LEU 242 Cb -0.15 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 1xl4 s LEU 242 CO 0.00 0.23 -0.20 0.12 -1.32 0.00 0.00 176.35 175.18 1xl4 s PHE 243 N -0.09 1.80 0.04 5.38 5.36 0.58 0.34 117.98 131.39 1xl4 s PHE 243 Ca -0.06 -0.35 -0.04 0.00 -0.96 0.00 0.00 56.93 55.52 1xl4 s PHE 243 Cb -0.14 -1.16 -0.02 0.00 -0.34 0.00 0.00 43.02 41.36 1xl4 s PHE 243 CO 0.04 -0.04 0.06 0.95 -1.46 0.00 0.00 175.22 174.78 1xl4 s THR 244 N -0.44 0.15 -0.01 0.12 -4.23 -0.61 -0.52 115.64 110.11 1xl4 s THR 244 Ca 0.07 -1.25 -0.29 0.00 -1.18 0.00 0.00 61.69 59.04 1xl4 s THR 244 Cb -0.08 -1.02 0.11 0.00 1.34 0.00 0.00 72.50 72.85 1xl4 s THR 244 CO -0.01 -0.69 1.28 -0.83 -0.54 0.00 0.00 174.62 173.84 1xl4 s GLY 245 N -2.31 -0.26 -0.32 3.99 0.00 -0.46 -1.33 107.32 106.63 1xl4 s GLY 245 Ca -0.02 0.35 -0.10 0.00 0.00 0.00 0.00 44.72 44.94 1xl4 s GLY 245 CO -0.06 2.79 0.18 -1.58 0.00 0.00 0.00 173.10 174.43 1xl4 s HIS 246 N -2.21 3.19 -0.36 1.90 5.65 0.17 -0.33 115.29 123.30 1xl4 s HIS 246 Ca 0.22 -0.49 -0.23 0.00 0.25 0.00 0.00 55.06 54.80 1xl4 s HIS 246 Cb 0.02 -2.39 0.01 0.00 -1.18 0.00 0.00 32.58 29.04 1xl4 s HIS 246 CO -0.02 -0.44 0.79 -1.58 -0.65 0.00 0.00 174.74 172.84 1xl4 s HIS 247 N 1.64 3.11 0.43 3.88 2.46 -0.58 -0.23 115.29 126.00 1xl4 s HIS 247 Ca 0.05 0.56 0.13 0.00 0.47 0.00 0.00 55.06 56.26 1xl4 s HIS 247 Cb -0.17 -3.40 0.93 0.00 -0.13 0.00 0.00 32.58 29.80 1xl4 s HIS 247 CO 0.07 -0.73 1.97 0.93 -2.47 0.00 0.00 174.74 174.51 1xl4 h GLU 248 N 8.47 0.09 -0.72 2.88 5.08 -1.79 0.15 114.58 128.74 1xl4 h GLU 248 Ca -0.25 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1xl4 h GLU 248 Cb 1.09 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 1xl4 h GLU 248 CO 0.91 0.25 0.30 0.00 -1.00 0.00 0.00 179.01 179.47 1xl4 h ALA 249 N 1.76 1.00 -0.02 3.43 0.00 -1.91 -2.60 119.26 120.93 1xl4 h ALA 249 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xl4 h ALA 249 Cb 0.33 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xl4 h ALA 249 CO 0.02 -0.17 -0.08 1.19 0.00 0.00 0.00 179.25 180.21 1xl4 n PHE 250 N -4.97 0.00 -2.21 0.00 3.01 -1.07 -4.98 117.46 107.24 1xl4 n PHE 250 Ca 0.13 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.40 1xl4 n PHE 250 Cb 0.36 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.81 1xl4 n PHE 250 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xl4 n ALA 251 N 0.52 -0.57 -2.41 4.37 0.00 0.49 -4.96 120.51 117.95 1xl4 n ALA 251 Ca 0.08 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 1xl4 n ALA 251 Cb 0.33 -2.02 -0.08 0.00 0.00 0.00 0.00 19.45 17.68 1xl4 n ALA 251 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1xl4 s GLN 252 N -4.71 0.86 0.55 0.00 -2.07 -1.08 -4.97 119.66 108.24 1xl4 s GLN 252 Ca 0.00 -1.14 -0.19 0.00 -1.82 0.00 0.00 55.36 52.22 1xl4 s GLN 252 Cb 0.00 0.30 -0.06 0.00 -1.09 0.00 0.00 33.01 32.17 1xl4 s GLN 252 CO 0.00 -0.26 1.09 -0.80 -1.32 0.00 0.00 175.29 174.00 1xl4 s ASN 253 N -2.92 5.83 0.10 12.60 0.01 -1.26 -1.53 114.94 127.77 1xl4 s ASN 253 Ca 0.11 2.05 -0.00 0.00 -0.71 0.00 0.00 52.86 54.30 1xl4 s ASN 253 Cb 0.06 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1xl4 s ASN 253 CO -0.07 -1.14 0.00 0.68 -1.51 0.00 0.00 177.10 175.07 1xl4 s VAL 254 N -1.97 0.28 0.09 1.60 -7.23 0.55 -4.85 120.40 108.87 1xl4 s VAL 254 Ca 0.69 -1.88 -0.10 0.00 -1.81 0.00 0.00 61.98 58.88 1xl4 s VAL 254 Cb -0.20 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 34.92 1xl4 s VAL 254 CO 0.28 -0.71 0.23 -1.38 -0.31 0.00 0.00 175.10 173.21 1xl4 s HIS 255 N -3.91 0.08 -0.02 2.82 -3.43 -1.26 -1.35 115.29 108.21 1xl4 s HIS 255 Ca 0.16 -0.48 -0.11 0.00 -0.80 0.00 0.00 55.06 53.83 1xl4 s HIS 255 Cb 0.07 0.00 0.02 0.00 -1.43 0.00 0.00 32.58 31.24 1xl4 s HIS 255 CO -0.03 -0.57 0.25 0.00 -2.00 0.00 0.00 174.74 172.39 1xl4 s ALA 256 N -3.80 -0.61 0.07 -1.38 0.00 0.32 -4.39 121.76 111.97 1xl4 s ALA 256 Ca 0.04 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.29 1xl4 s ALA 256 Cb 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1xl4 s ALA 256 CO -0.11 -0.22 -0.11 -0.98 0.00 0.00 0.00 175.76 174.34 1xl4 s ARG 257 N -1.09 0.74 0.08 0.00 1.70 -1.26 -0.30 118.95 118.82 1xl4 s ARG 257 Ca -0.12 -0.96 -0.20 0.00 -0.47 0.00 0.00 55.73 53.99 1xl4 s ARG 257 Cb -0.05 -0.58 0.05 0.00 -0.57 0.00 0.00 34.95 33.79 1xl4 s ARG 257 CO 0.03 0.11 0.47 -1.58 -1.08 0.00 0.00 175.30 173.25 1xl4 s HIS 258 N -1.66 -0.34 0.02 5.89 2.46 -0.61 -4.27 115.29 116.77 1xl4 s HIS 258 Ca -0.02 0.23 -0.03 0.00 0.47 0.00 0.00 55.06 55.72 1xl4 s HIS 258 Cb -0.08 0.32 -0.02 0.00 -0.13 0.00 0.00 32.58 32.68 1xl4 s HIS 258 CO 0.01 -0.67 0.03 0.00 -2.47 0.00 0.00 174.74 171.63 1xl4 s ALA 259 N -3.01 0.03 0.05 1.58 0.00 0.54 -0.60 121.76 120.34 1xl4 s ALA 259 Ca -0.02 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.44 1xl4 s ALA 259 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1xl4 s ALA 259 CO -0.06 -0.21 -0.11 0.71 0.00 0.00 0.00 175.76 176.08 1xl4 s TYR 260 N -1.81 0.98 0.44 0.00 1.51 0.65 -4.36 117.35 114.76 1xl4 s TYR 260 Ca -0.12 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.61 1xl4 s TYR 260 Cb -0.07 -0.58 0.01 0.00 -0.11 0.00 0.00 41.96 41.21 1xl4 s TYR 260 CO -0.02 0.00 0.52 -1.54 -1.11 0.00 0.00 175.55 173.40 1xl4 s SER 261 N -1.35 5.36 0.35 2.29 1.04 -1.26 -0.55 113.70 119.57 1xl4 s SER 261 Ca -0.03 -0.60 0.08 0.00 0.48 0.00 0.00 55.95 55.88 1xl4 s SER 261 Cb -0.09 -0.51 0.79 0.00 0.10 0.00 0.00 66.02 66.32 1xl4 s SER 261 CO 0.01 -0.78 1.86 0.00 0.98 0.00 0.00 173.24 175.31 1xl4 h ASP 263 N 0.72 0.00 -0.46 0.00 3.32 -1.94 -2.32 116.42 115.74 1xl4 h ASP 263 Ca 0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.50 1xl4 h ASP 263 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1xl4 h ASP 263 CO -0.22 0.00 0.01 -0.62 -1.72 0.00 0.00 179.24 176.69 1xl4 n GLU 264 N -3.48 4.00 -3.98 3.56 1.02 -0.11 -4.79 120.64 116.85 1xl4 n GLU 264 Ca -0.03 -2.46 -0.35 0.00 -0.02 0.00 0.00 57.16 54.30 1xl4 n GLU 264 Cb 0.09 -2.10 -0.14 0.00 -0.02 0.00 0.00 31.44 29.27 1xl4 n GLU 264 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xl4 s ILE 265 N -2.38 3.50 -0.62 -3.67 1.01 -0.87 0.02 121.20 118.18 1xl4 s ILE 265 Ca 0.43 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.47 1xl4 s ILE 265 Cb 0.33 -2.59 0.15 0.00 0.01 0.00 0.00 42.46 40.37 1xl4 s ILE 265 CO 0.12 0.43 0.58 -0.63 0.00 0.00 0.00 174.94 175.44 1xl4 s ILE 266 N 1.33 5.32 0.09 2.92 -1.09 -0.62 -4.97 121.20 124.19 1xl4 s ILE 266 Ca 0.04 -1.77 -0.31 0.00 -2.23 0.00 0.00 60.65 56.38 1xl4 s ILE 266 Cb -0.14 -4.38 -0.09 0.00 -1.58 0.00 0.00 42.46 36.27 1xl4 s ILE 266 CO -0.01 -0.92 1.70 0.26 -1.23 0.00 0.00 174.94 174.74 1xl4 s TRP 267 N 1.21 2.38 0.00 3.97 0.52 -1.26 -1.72 118.94 124.03 1xl4 s TRP 267 Ca 0.07 0.23 0.00 0.00 0.02 0.00 0.00 56.10 56.42 1xl4 s TRP 267 Cb -0.24 -4.03 0.00 0.00 -1.15 0.00 0.00 33.47 28.05 1xl4 s TRP 267 CO -0.00 -4.16 0.00 0.41 0.02 0.00 0.00 176.95 173.22 1xl4 n GLY 268 N 4.06 2.36 3.74 0.98 0.00 0.22 -4.92 105.19 111.61 1xl4 n GLY 268 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1xl4 n GLY 268 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xl4 s GLY 269 N -2.17 1.62 -0.07 -0.02 0.00 -0.70 -4.76 107.32 101.22 1xl4 s GLY 269 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 44.72 44.56 1xl4 s GLY 269 CO 0.00 0.38 0.18 0.30 0.00 0.00 0.00 173.10 173.96 1xl4 s HIS 270 N -2.98 -0.20 0.57 1.90 3.76 -0.77 -4.41 115.29 113.16 1xl4 s HIS 270 Ca 0.63 0.49 -0.18 0.00 -0.15 0.00 0.00 55.06 55.85 1xl4 s HIS 270 Cb -0.17 0.06 -0.05 0.00 1.11 0.00 0.00 32.58 33.53 1xl4 s HIS 270 CO 0.56 -0.11 1.09 -0.06 -0.85 0.00 0.00 174.74 175.38 1xl4 s PHE 271 N 0.22 2.78 -0.01 1.40 0.40 -1.26 -0.49 117.98 121.02 1xl4 s PHE 271 Ca -0.01 1.55 -0.05 0.00 -0.60 0.00 0.00 56.93 57.82 1xl4 s PHE 271 Cb -0.02 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.30 1xl4 s PHE 271 CO -0.01 -1.37 0.22 0.08 0.70 0.00 0.00 175.22 174.85 1xl4 s VAL 272 N -2.08 5.38 0.17 -0.44 1.01 -1.18 -4.78 120.40 118.49 1xl4 s VAL 272 Ca 0.68 0.02 -0.33 0.00 0.00 0.00 0.00 61.98 62.35 1xl4 s VAL 272 Cb -0.20 -3.54 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 1xl4 s VAL 272 CO 0.31 0.36 1.34 0.47 0.00 0.00 0.00 175.10 177.58 1xl4 n ASP 273 N 1.09 2.11 -0.46 3.32 8.00 -1.26 -4.86 116.55 124.49 1xl4 n ASP 273 Ca -0.12 1.13 0.12 0.00 0.71 0.00 0.00 54.79 56.64 1xl4 n ASP 273 Cb 0.53 -1.31 0.49 0.00 -0.02 0.00 0.00 41.12 40.81 1xl4 n ASP 273 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1xl4 n VAL 274 N 2.12 0.09 -3.81 2.53 0.24 -1.26 -4.92 118.33 113.32 1xl4 n VAL 274 Ca 0.15 -0.26 -0.36 0.00 -2.04 0.00 0.00 64.34 61.83 1xl4 n VAL 274 Cb 0.26 0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 32.93 1xl4 n VAL 274 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xl4 s PHE 275 N -1.91 3.60 0.00 6.34 0.40 -1.26 0.14 117.98 125.29 1xl4 s PHE 275 Ca 0.36 0.57 0.00 0.00 -0.60 0.00 0.00 56.93 57.25 1xl4 s PHE 275 Cb 0.19 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.75 1xl4 s PHE 275 CO 0.30 0.68 0.00 0.25 0.70 0.00 0.00 175.22 177.15 1xl4 n THR 276 N 1.57 0.00 -3.60 0.64 -2.24 -0.78 -4.89 114.28 104.98 1xl4 n THR 276 Ca -0.16 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.46 1xl4 n THR 276 Cb 0.54 -0.17 -0.14 0.00 -2.10 0.00 0.00 70.33 68.46 1xl4 n THR 276 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xl4 s THR 277 N 1.41 -0.34 0.77 4.28 2.01 -1.26 -3.53 115.64 118.98 1xl4 s THR 277 Ca 0.00 0.16 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 1xl4 s THR 277 Cb 0.00 -0.49 0.06 0.00 0.01 0.00 0.00 72.50 72.08 1xl4 s THR 277 CO 0.00 0.01 1.09 -0.76 -0.69 0.00 0.00 174.62 174.27 1xl4 s LEU 278 N 2.35 3.05 0.38 4.42 1.43 -0.54 -4.86 118.68 124.92 1xl4 s LEU 278 Ca 0.04 1.85 0.18 0.00 -1.03 0.00 0.00 54.13 55.17 1xl4 s LEU 278 Cb -0.13 -4.52 1.11 0.00 0.03 0.00 0.00 46.19 42.67 1xl4 s LEU 278 CO -0.09 -2.04 1.73 1.55 0.23 0.00 0.00 176.35 177.73 1xl4 h PRO 279 N -1.08 0.36 -0.32 1.29 0.13 -2.01 0.26 132.00 130.63 1xl4 h PRO 279 Ca -0.44 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1xl4 h PRO 279 Cb 1.23 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1xl4 h PRO 279 CO 0.51 0.24 -0.23 0.38 -0.23 0.00 0.00 178.00 178.67 1xl4 h ASP 280 N 0.37 0.62 0.00 1.44 2.03 -2.03 -3.47 116.42 115.38 1xl4 h ASP 280 Ca 0.65 -0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 1xl4 h ASP 280 Cb 1.63 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.96 1xl4 h ASP 280 CO -0.38 0.84 0.00 0.61 -1.03 0.00 0.00 179.24 179.28 1xl4 n GLY 281 N -0.32 0.62 3.85 7.15 0.00 0.90 -5.13 105.19 112.25 1xl4 n GLY 281 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1xl4 n GLY 281 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xl4 s ARG 282 N 0.00 3.95 1.31 1.61 1.70 -1.26 -4.74 118.95 121.52 1xl4 s ARG 282 Ca 0.00 0.46 -0.17 0.00 -0.47 0.00 0.00 55.73 55.54 1xl4 s ARG 282 Cb 0.00 -2.85 0.34 0.00 -0.57 0.00 0.00 34.95 31.87 1xl4 s ARG 282 CO 0.00 0.43 0.96 1.03 -1.08 0.00 0.00 175.30 176.64 1xl4 s ARG 283 N -2.20 -2.10 -0.30 3.89 1.81 -1.26 -1.46 118.95 117.33 1xl4 s ARG 283 Ca 0.41 0.55 -0.18 0.00 -1.72 0.00 0.00 55.73 54.79 1xl4 s ARG 283 Cb -0.14 -1.44 0.19 0.00 -0.45 0.00 0.00 34.95 33.11 1xl4 s ARG 283 CO 0.20 -4.43 1.21 0.00 -0.68 0.00 0.00 175.30 171.60 1xl4 s ALA 284 N -2.29 -3.00 -0.21 2.13 0.00 -1.23 -4.71 121.76 112.46 1xl4 s ALA 284 Ca 0.69 1.90 -0.28 0.00 0.00 0.00 0.00 51.96 54.26 1xl4 s ALA 284 Cb -0.21 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 1xl4 s ALA 284 CO 0.63 -0.79 2.15 -1.17 0.00 0.00 0.00 175.76 176.57 1xl4 s LEU 285 N 1.86 3.54 -0.86 0.00 2.96 -1.26 -1.87 118.68 123.04 1xl4 s LEU 285 Ca -0.02 1.89 -0.17 0.00 -0.22 0.00 0.00 54.13 55.61 1xl4 s LEU 285 Cb -0.02 -3.51 0.17 0.00 0.50 0.00 0.00 46.19 43.32 1xl4 s LEU 285 CO -0.15 -1.85 0.94 -0.62 -1.32 0.00 0.00 176.35 173.35 1xl4 s ASP 286 N 7.70 6.66 0.00 3.68 -1.08 0.37 -4.83 116.67 129.17 1xl4 s ASP 286 Ca 0.97 -2.29 0.07 0.00 -0.52 0.00 0.00 52.55 50.78 1xl4 s ASP 286 Cb -0.32 -2.31 0.39 0.00 -1.46 0.00 0.00 42.92 39.21 1xl4 s ASP 286 CO 0.35 -0.85 0.81 0.18 0.52 0.00 0.00 175.17 176.18 1xl4 n LEU 287 N 5.40 0.00 0.17 -1.34 4.77 -1.26 -0.89 117.00 123.85 1xl4 n LEU 287 Ca 0.17 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.22 1xl4 n LEU 287 Cb 0.48 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1xl4 n LEU 287 CO 0.43 0.00 0.57 1.23 -1.33 0.00 0.00 177.39 178.29 1xl4 h GLY 288 N 1.27 0.00 -1.00 -0.72 0.00 -1.91 -3.13 103.07 97.58 1xl4 h GLY 288 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xl4 h GLY 288 CO 0.00 0.00 -0.42 0.28 0.00 0.00 0.00 176.54 176.40 1xl4 n LYS 289 N -3.15 1.38 -0.34 4.80 5.02 -0.07 -4.51 118.16 121.29 1xl4 n LYS 289 Ca 0.02 -1.02 0.20 0.00 -2.02 0.00 0.00 58.31 55.49 1xl4 n LYS 289 Cb 0.65 -1.43 0.44 0.00 -0.02 0.00 0.00 35.03 34.67 1xl4 n LYS 289 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1xl4 h PHE 290 N 2.45 0.88 -0.23 2.13 3.57 -1.54 0.23 116.94 124.43 1xl4 h PHE 290 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1xl4 h PHE 290 Cb 0.73 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1xl4 h PHE 290 CO 0.00 0.04 0.00 0.72 -2.23 0.00 0.00 178.31 176.84 1xl4 n HIS 291 N -4.81 0.29 -2.67 0.41 8.25 -1.26 -4.87 115.22 110.56 1xl4 n HIS 291 Ca 0.27 -0.15 -0.40 0.00 -0.26 0.00 0.00 57.72 57.19 1xl4 n HIS 291 Cb 0.82 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.88 1xl4 n HIS 291 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1xl4 s GLU 292 N -1.71 4.75 -0.08 -0.41 2.02 0.79 -4.82 118.70 119.24 1xl4 s GLU 292 Ca 0.34 1.56 -0.00 0.00 0.02 0.00 0.00 54.97 56.90 1xl4 s GLU 292 Cb 0.20 -3.19 0.02 0.00 0.10 0.00 0.00 34.13 31.26 1xl4 s GLU 292 CO 0.29 0.39 -0.05 0.42 0.02 0.00 0.00 175.26 176.33 1xl4 s ILE 293 N -1.23 0.71 0.28 -1.63 1.01 -1.26 -3.09 121.20 116.00 1xl4 s ILE 293 Ca 0.43 -0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.66 1xl4 s ILE 293 Cb -0.27 -0.76 -0.09 0.00 0.01 0.00 0.00 42.46 41.34 1xl4 s ILE 293 CO 0.34 0.30 0.98 0.00 0.00 0.00 0.00 174.94 176.55 1xl4 s ALA 294 N 1.48 3.30 -0.05 9.38 0.00 0.35 -4.84 121.76 131.39 1xl4 s ALA 294 Ca -0.01 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 1xl4 s ALA 294 Cb -0.13 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1xl4 s ALA 294 CO -0.04 0.10 0.26 -0.65 0.00 0.00 0.00 175.76 175.44 1xl4 s GLN 295 N -1.54 0.50 0.04 0.00 -0.21 -1.26 -1.84 119.66 115.34 1xl4 s GLN 295 Ca 0.45 -0.01 -0.25 0.00 0.02 0.00 0.00 55.36 55.57 1xl4 s GLN 295 Cb -0.25 0.23 -0.05 0.00 1.00 0.00 0.00 33.01 33.93 1xl4 s GLN 295 CO 0.31 -0.11 0.77 -1.58 -2.12 0.00 0.00 175.29 172.56 1xl4 s HIS 296 N -0.78 3.72 -0.10 0.91 5.65 -1.26 -5.05 115.29 118.38 1xl4 s HIS 296 Ca -0.09 1.47 0.00 0.00 0.25 0.00 0.00 55.06 56.70 1xl4 s HIS 296 Cb -0.04 -2.83 -0.02 0.00 -1.18 0.00 0.00 32.58 28.50 1xl4 s HIS 296 CO 0.02 0.25 -0.10 -1.01 -0.65 0.00 0.00 174.74 173.25 1xl4 s HIS 297 N 0.05 2.86 0.26 3.88 3.76 -1.26 -5.12 115.29 119.72 1xl4 s HIS 297 Ca 0.39 -0.27 -0.11 0.00 -0.15 0.00 0.00 55.06 54.92 1xl4 s HIS 297 Cb -0.20 -1.78 -0.07 0.00 1.11 0.00 0.00 32.58 31.64 1xl4 s HIS 297 CO 0.23 0.07 0.60 -1.01 -0.85 0.00 0.00 174.74 173.78 1xl4 s HIS 298 N -0.23 3.42 -2.00 1.40 3.76 -1.26 -5.36 115.29 115.01 1xl4 s HIS 298 Ca 0.02 0.95 0.24 0.00 -0.15 0.00 0.00 55.06 56.12 1xl4 s HIS 298 Cb -0.13 -2.32 1.42 0.00 1.11 0.00 0.00 32.58 32.66 1xl4 s HIS 298 CO 0.03 0.21 1.79 0.72 -0.85 0.00 0.00 174.74 176.63