#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lr4 s LYS 8 N 0.00 1.47 0.38 -1.46 -0.14 -1.26 -4.38 119.74 114.35 1lr4 s LYS 8 Ca 0.00 -1.67 -0.27 0.00 -1.36 0.00 0.00 55.97 52.67 1lr4 s LYS 8 Cb 0.00 -1.33 -0.09 0.00 -1.68 0.00 0.00 37.83 34.73 1lr4 s LYS 8 CO 0.00 0.21 1.32 0.00 -0.76 0.00 0.00 175.35 176.12 1lr4 s ALA 9 N -2.83 3.36 -0.41 5.17 0.00 -1.26 -4.93 121.76 120.86 1lr4 s ALA 9 Ca 0.26 1.27 0.23 0.00 0.00 0.00 0.00 51.96 53.72 1lr4 s ALA 9 Cb -0.01 -3.50 0.37 0.00 0.00 0.00 0.00 23.12 19.98 1lr4 s ALA 9 CO 0.10 -0.79 1.62 0.00 0.00 0.00 0.00 175.76 176.69 1lr4 h ARG 10 N 2.92 0.00 -4.81 0.00 3.08 -1.97 -3.41 114.38 110.19 1lr4 h ARG 10 Ca -0.50 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.27 1lr4 h ARG 10 Cb 1.24 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.12 1lr4 h ARG 10 CO 0.64 0.02 -0.72 0.14 -1.07 0.00 0.00 179.97 178.97 1lr4 s VAL 11 N -3.22 0.81 -1.33 2.04 -7.23 -1.26 -4.86 120.40 105.35 1lr4 s VAL 11 Ca 0.07 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1lr4 s VAL 11 Cb 0.05 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.65 1lr4 s VAL 11 CO 0.67 -0.63 0.00 -1.22 -0.31 0.00 0.00 175.10 173.61 1lr4 n TYR 12 N 0.50 -0.83 0.26 2.82 4.01 -1.26 -4.85 117.16 117.80 1lr4 n TYR 12 Ca -0.16 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.67 1lr4 n TYR 12 Cb 0.58 -2.81 0.64 0.00 -0.31 0.00 0.00 39.34 37.45 1lr4 n TYR 12 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1lr4 h ALA 13 N 0.84 1.81 -0.59 -0.72 0.00 -1.89 -3.19 119.26 115.51 1lr4 h ALA 13 Ca -0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1lr4 h ALA 13 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1lr4 h ALA 13 CO 0.40 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.33 1lr4 n ASP 14 N -4.33 3.63 -0.05 0.00 3.85 -1.26 -4.42 116.55 113.97 1lr4 n ASP 14 Ca -0.03 -2.04 -0.07 0.00 -0.71 0.00 0.00 54.79 51.94 1lr4 n ASP 14 Cb 0.14 -0.40 -0.01 0.00 -1.35 0.00 0.00 41.12 39.49 1lr4 n ASP 14 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1lr4 h VAL 15 N 3.44 0.57 0.00 2.12 2.07 -1.90 -0.71 116.25 121.84 1lr4 h VAL 15 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1lr4 h VAL 15 Cb 0.93 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1lr4 h VAL 15 CO 0.01 0.00 -0.07 0.59 0.02 0.00 0.00 177.57 178.13 1lr4 n ASN 16 N -5.31 0.51 0.11 0.57 3.02 -1.26 -2.12 115.26 110.78 1lr4 n ASN 16 Ca -0.01 0.48 -0.20 0.00 -0.03 0.00 0.00 54.58 54.83 1lr4 n ASN 16 Cb 0.22 -0.58 -0.15 0.00 -0.61 0.00 0.00 39.78 38.67 1lr4 n ASN 16 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1lr4 h VAL 17 N 0.00 1.31 0.10 2.41 2.07 -1.67 -3.32 116.25 117.15 1lr4 h VAL 17 Ca 0.00 -2.84 -0.26 0.00 0.82 0.00 0.00 66.70 64.42 1lr4 h VAL 17 Cb 0.65 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1lr4 h VAL 17 CO 0.00 0.85 -1.17 -0.07 0.02 0.00 0.00 177.57 177.20 1lr4 h LEU 18 N 0.10 0.39-10.35 2.57 3.38 -1.07 -3.47 115.31 106.86 1lr4 h LEU 18 Ca -0.22 -0.40 -0.51 0.00 0.09 0.00 0.00 57.88 56.84 1lr4 h LEU 18 Cb 2.06 -0.13 0.06 0.00 0.09 0.00 0.00 40.66 42.75 1lr4 h LEU 18 CO 0.22 1.29 0.42 -0.13 0.09 0.00 0.00 178.44 180.33 1lr4 s ARG 19 N -2.76 3.58 0.51 1.13 0.52 -0.90 -5.00 118.95 116.02 1lr4 s ARG 19 Ca -0.04 0.77 -0.22 0.00 -0.52 0.00 0.00 55.73 55.72 1lr4 s ARG 19 Cb 0.08 -2.08 -0.06 0.00 0.52 0.00 0.00 34.95 33.41 1lr4 s ARG 19 CO 0.87 -0.59 1.26 -2.14 0.02 0.00 0.00 175.30 174.72 1lr4 s PRO 20 N -5.12 3.42 0.57 3.54 0.02 -1.26 -4.88 135.00 131.29 1lr4 s PRO 20 Ca 0.55 1.99 0.28 0.00 0.02 0.00 0.00 61.00 63.84 1lr4 s PRO 20 Cb -0.11 -2.30 1.48 0.00 0.02 0.00 0.00 34.50 33.59 1lr4 s PRO 20 CO 0.53 -0.89 1.94 -0.22 -0.33 0.00 0.00 177.00 178.03 1lr4 h LYS 21 N 1.70 0.00 0.00 5.54 3.64 -1.95 0.34 116.57 125.84 1lr4 h LYS 21 Ca -0.50 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 1lr4 h LYS 21 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1lr4 h LYS 21 CO 0.58 0.00 -0.19 1.05 -2.27 0.00 0.00 179.45 178.63 1lr4 h GLU 22 N 0.00 0.00 -0.10 1.90 4.11 -1.91 0.11 114.58 118.69 1lr4 h GLU 22 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1lr4 h GLU 22 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1lr4 h GLU 22 CO -0.00 0.19 0.06 -0.92 0.07 0.00 0.00 179.01 178.41 1lr4 h TYR 23 N 0.00 0.12 -0.00 2.06 3.20 -0.65 -3.36 116.97 118.34 1lr4 h TYR 23 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1lr4 h TYR 23 Cb 0.43 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1lr4 h TYR 23 CO 0.00 0.10 -0.34 -2.67 -1.64 0.00 0.00 178.16 173.61 1lr4 n TRP 24 N -5.01 0.00 -2.37 -3.82 4.27 -1.06 -4.77 117.44 104.68 1lr4 n TRP 24 Ca -0.05 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.14 1lr4 n TRP 24 Cb 0.04 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 29.98 1lr4 n TRP 24 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 1lr4 n ASP 25 N -0.87 4.56 0.28 -0.67 -0.08 0.34 -4.75 116.55 115.37 1lr4 n ASP 25 Ca 0.02 -2.88 0.17 0.00 -1.51 0.00 0.00 54.79 50.59 1lr4 n ASP 25 Cb 0.16 -1.72 0.79 0.00 2.34 0.00 0.00 41.12 42.69 1lr4 n ASP 25 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1lr4 h TYR 26 N 7.50 0.00 0.00 -0.67 -0.00 -1.87 -2.72 116.97 119.21 1lr4 h TYR 26 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.17 1lr4 h TYR 26 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.56 1lr4 h TYR 26 CO 1.41 0.06 -0.04 0.93 -0.00 0.00 0.00 178.16 180.52 1lr4 h GLU 27 N 0.00 0.00 -0.61 0.10 5.08 -1.91 -2.50 114.58 114.73 1lr4 h GLU 27 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lr4 h GLU 27 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1lr4 h GLU 27 CO 0.01 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1lr4 n ALA 28 N -2.15 2.40 -1.56 3.43 0.00 -1.02 -4.97 120.51 116.63 1lr4 n ALA 28 Ca -0.02 -1.11 -0.34 0.00 0.00 0.00 0.00 53.44 51.97 1lr4 n ALA 28 Cb 0.19 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 18.75 1lr4 n ALA 28 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1lr4 s LEU 29 N -1.06 3.48 -0.24 0.00 2.96 -0.94 -5.02 118.68 117.85 1lr4 s LEU 29 Ca 0.43 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 1lr4 s LEU 29 Cb 0.22 -4.58 0.06 0.00 0.50 0.00 0.00 46.19 42.40 1lr4 s LEU 29 CO 0.30 -1.77 -0.03 -0.89 -1.32 0.00 0.00 176.35 172.63 1lr4 s THR 30 N -1.96 1.41 -0.16 3.68 2.01 -1.26 -5.11 115.64 114.25 1lr4 s THR 30 Ca 0.73 -1.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 1lr4 s THR 30 Cb -0.26 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 1lr4 s THR 30 CO 0.39 -0.18 1.24 -0.69 -0.69 0.00 0.00 174.62 174.69 1lr4 s VAL 31 N 1.44 4.31 -0.88 3.82 1.01 -1.26 -4.98 120.40 123.86 1lr4 s VAL 31 Ca -0.03 1.59 -0.21 0.00 0.00 0.00 0.00 61.98 63.32 1lr4 s VAL 31 Cb -0.19 -4.02 0.09 0.00 0.00 0.00 0.00 36.38 32.26 1lr4 s VAL 31 CO -0.08 -0.13 1.17 0.00 0.00 0.00 0.00 175.10 176.07 1lr4 s GLN 32 N 3.37 3.46 0.23 2.72 -2.07 -1.26 -5.02 119.66 121.09 1lr4 s GLN 32 Ca 0.54 -1.31 -0.30 0.00 -1.82 0.00 0.00 55.36 52.47 1lr4 s GLN 32 Cb -0.21 -4.82 -0.10 0.00 -1.09 0.00 0.00 33.01 26.79 1lr4 s GLN 32 CO 0.15 -1.91 1.38 -1.58 -1.32 0.00 0.00 175.29 172.01 1lr4 s TRP 33 N 3.71 3.12 0.00 9.60 0.52 -1.26 -4.75 118.94 129.88 1lr4 s TRP 33 Ca 0.33 1.11 0.00 0.00 0.02 0.00 0.00 56.10 57.56 1lr4 s TRP 33 Cb -0.07 -3.73 0.00 0.00 -1.15 0.00 0.00 33.47 28.53 1lr4 s TRP 33 CO -0.04 -2.33 0.00 0.41 0.02 0.00 0.00 176.95 175.01 1lr4 n GLY 34 N 2.25 0.37 3.56 0.98 0.00 0.73 -5.01 105.19 108.07 1lr4 n GLY 34 Ca 0.06 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 1lr4 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lr4 s GLU 35 N 0.54 3.69 0.56 1.61 0.41 -1.26 -4.73 118.70 119.52 1lr4 s GLU 35 Ca 0.00 -0.33 0.27 0.00 -0.41 0.00 0.00 54.97 54.49 1lr4 s GLU 35 Cb 0.00 -3.76 1.51 0.00 -1.78 0.00 0.00 34.13 30.10 1lr4 s GLU 35 CO 0.00 -0.44 2.03 0.37 -0.49 0.00 0.00 175.26 176.73 1lr4 h GLN 36 N 8.40 0.00 0.00 1.61 4.15 -1.93 -2.43 115.11 124.91 1lr4 h GLN 36 Ca -0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1lr4 h GLN 36 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1lr4 h GLN 36 CO 0.66 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.31 1lr4 n ASP 37 N -4.03 0.81 0.25 -0.69 10.43 -1.26 -3.08 116.55 118.99 1lr4 n ASP 37 Ca 0.05 0.60 0.17 0.00 2.57 0.00 0.00 54.79 58.19 1lr4 n ASP 37 Cb 0.48 -0.81 0.74 0.00 1.84 0.00 0.00 41.12 43.37 1lr4 n ASP 37 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1lr4 h ASP 38 N 0.00 0.00 -3.17 -2.24 3.32 -1.82 -3.43 116.42 109.08 1lr4 h ASP 38 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1lr4 h ASP 38 Cb 0.65 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.85 1lr4 h ASP 38 CO 0.00 0.00 -0.84 -0.31 -1.72 0.00 0.00 179.24 176.37 1lr4 s TYR 39 N -3.68 2.15 -0.07 4.55 2.02 -1.18 -1.19 117.35 119.96 1lr4 s TYR 39 Ca 0.00 -1.14 0.05 0.00 -0.37 0.00 0.00 57.07 55.61 1lr4 s TYR 39 Cb 0.10 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 1lr4 s TYR 39 CO 0.46 -0.61 -0.22 -1.21 -1.57 0.00 0.00 175.55 172.40 1lr4 s GLU 40 N 1.29 2.70 0.06 -0.62 2.02 -0.92 -4.95 118.70 118.28 1lr4 s GLU 40 Ca 0.01 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 1lr4 s GLU 40 Cb -0.14 -2.26 -0.05 0.00 0.10 0.00 0.00 34.13 31.78 1lr4 s GLU 40 CO -0.07 0.37 1.09 0.08 0.02 0.00 0.00 175.26 176.74 1lr4 s VAL 41 N -0.12 4.34 -0.23 2.63 1.01 -1.26 -0.84 120.40 125.94 1lr4 s VAL 41 Ca -0.04 1.75 -0.09 0.00 0.00 0.00 0.00 61.98 63.60 1lr4 s VAL 41 Cb -0.14 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 1lr4 s VAL 41 CO 0.04 0.17 -0.28 0.52 0.00 0.00 0.00 175.10 175.56 1lr4 n VAL 42 N 3.58 1.24 -3.50 2.92 0.31 0.68 -4.94 118.33 118.61 1lr4 n VAL 42 Ca 0.06 -0.34 -0.14 0.00 -0.01 0.00 0.00 64.34 63.91 1lr4 n VAL 42 Cb 0.48 -1.72 -0.04 0.00 -0.91 0.00 0.00 33.84 31.65 1lr4 n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lr4 s ARG 43 N -2.42 1.02 0.16 5.55 1.70 -1.07 -5.00 118.95 118.89 1lr4 s ARG 43 Ca -0.31 0.00 -0.30 0.00 -0.47 0.00 0.00 55.73 54.65 1lr4 s ARG 43 Cb 0.11 0.48 -0.07 0.00 -0.57 0.00 0.00 34.95 34.90 1lr4 s ARG 43 CO 0.41 -0.37 1.12 0.21 -1.08 0.00 0.00 175.30 175.59 1lr4 s LYS 44 N -2.02 4.56 0.00 3.89 2.20 -1.26 -0.23 119.74 126.88 1lr4 s LYS 44 Ca -0.05 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 1lr4 s LYS 44 Cb -0.00 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1lr4 s LYS 44 CO 0.01 0.02 0.39 1.33 -0.36 0.00 0.00 175.35 176.74 1lr4 n VAL 45 N 2.56 0.00 0.00 4.02 0.24 0.31 -4.86 118.33 120.61 1lr4 n VAL 45 Ca 0.04 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1lr4 n VAL 45 Cb 0.46 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.03 1lr4 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lr4 n GLY 46 N 0.01 -0.24 3.60 7.63 0.00 -0.86 -4.98 105.19 110.36 1lr4 n GLY 46 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 1lr4 n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1lr4 s ARG 47 N -2.00 0.46 0.04 1.61 3.03 -1.26 -1.26 118.95 119.58 1lr4 s ARG 47 Ca 0.00 0.19 -0.00 0.00 2.03 0.00 0.00 55.73 57.94 1lr4 s ARG 47 Cb 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 34.95 34.14 1lr4 s ARG 47 CO 0.00 -0.13 0.06 0.41 -1.13 0.00 0.00 175.30 174.51 1lr4 n GLY 48 N 0.95 2.84 0.27 3.88 0.00 -0.03 -5.00 105.19 108.11 1lr4 n GLY 48 Ca -0.09 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.63 1lr4 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lr4 h LYS 49 N 0.00 0.28 -0.01 1.61 1.57 -2.04 -3.26 116.57 114.72 1lr4 h LYS 49 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1lr4 h LYS 49 Cb 0.14 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1lr4 h LYS 49 CO 0.04 0.25 -0.18 0.66 -0.57 0.00 0.00 179.45 179.66 1lr4 n TYR 50 N -4.43 0.00 -3.61 -1.35 4.02 -1.26 -4.95 117.16 105.58 1lr4 n TYR 50 Ca -0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 1lr4 n TYR 50 Cb 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 1lr4 n TYR 50 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1lr4 s SER 51 N -1.28 -0.31 0.06 7.72 1.04 -1.23 -1.09 113.70 118.61 1lr4 s SER 51 Ca 0.09 -0.19 0.10 0.00 0.48 0.00 0.00 55.95 56.42 1lr4 s SER 51 Cb 0.08 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1lr4 s SER 51 CO 0.23 -0.81 -0.26 -1.61 0.98 0.00 0.00 173.24 171.77 1lr4 s GLU 52 N -3.29 1.75 -0.07 4.02 2.02 -0.60 -0.85 118.70 121.68 1lr4 s GLU 52 Ca 0.08 -1.14 0.04 0.00 0.02 0.00 0.00 54.97 53.96 1lr4 s GLU 52 Cb -0.01 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1lr4 s GLU 52 CO -0.04 0.50 -0.18 0.08 0.02 0.00 0.00 175.26 175.64 1lr4 s VAL 53 N -0.84 1.56 0.08 2.63 1.01 -0.39 -0.58 120.40 123.86 1lr4 s VAL 53 Ca 0.12 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1lr4 s VAL 53 Cb -0.10 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1lr4 s VAL 53 CO 0.03 0.45 -0.15 -0.36 0.00 0.00 0.00 175.10 175.07 1lr4 s PHE 54 N 0.33 1.28 0.16 5.22 0.08 0.16 -0.53 117.98 124.68 1lr4 s PHE 54 Ca -0.12 -0.47 -0.29 0.00 0.12 0.00 0.00 56.93 56.17 1lr4 s PHE 54 Cb -0.15 -0.71 -0.07 0.00 -0.57 0.00 0.00 43.02 41.51 1lr4 s PHE 54 CO 0.05 0.08 0.91 -1.21 -0.10 0.00 0.00 175.22 174.95 1lr4 s GLU 55 N -1.87 4.73 0.32 0.44 2.02 0.68 -0.04 118.70 124.99 1lr4 s GLU 55 Ca -0.00 1.40 0.05 0.00 0.02 0.00 0.00 54.97 56.44 1lr4 s GLU 55 Cb -0.09 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 1lr4 s GLU 55 CO 0.02 0.38 0.18 0.41 0.02 0.00 0.00 175.26 176.28 1lr4 n GLY 56 N 1.88 3.21 3.00 -1.39 0.00 -0.38 -0.23 105.19 111.29 1lr4 n GLY 56 Ca -0.01 -1.97 -0.20 0.00 0.00 0.00 0.00 46.02 43.84 1lr4 n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1lr4 s ILE 57 N -3.02 0.73 -0.71 -0.61 2.07 -0.02 -1.88 121.20 117.77 1lr4 s ILE 57 Ca 0.26 -0.35 -0.26 0.00 -1.41 0.00 0.00 60.65 58.89 1lr4 s ILE 57 Cb 0.01 -0.64 0.04 0.00 0.13 0.00 0.00 42.46 42.00 1lr4 s ILE 57 CO 0.18 0.22 1.19 0.21 -1.91 0.00 0.00 174.94 174.84 1lr4 s ASN 58 N 0.07 6.19 0.54 4.50 3.04 0.68 -2.17 114.94 127.79 1lr4 s ASN 58 Ca -0.01 -0.54 0.43 0.00 0.04 0.00 0.00 52.86 52.78 1lr4 s ASN 58 Cb -0.07 -2.52 1.64 0.00 -1.54 0.00 0.00 41.25 38.76 1lr4 s ASN 58 CO 0.00 -1.71 1.68 -0.37 -3.04 0.00 0.00 177.10 173.66 1lr4 h VAL 59 N 6.02 0.19 0.02 -5.21 -1.51 -1.47 0.75 116.25 115.04 1lr4 h VAL 59 Ca -0.28 -0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.11 1lr4 h VAL 59 Cb 1.06 0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.39 1lr4 h VAL 59 CO 1.25 0.00 -0.38 0.78 -1.23 0.00 0.00 177.57 177.99 1lr4 h ASN 60 N 0.01 0.05 0.07 4.19 2.35 -1.92 -3.35 115.58 116.99 1lr4 h ASN 60 Ca 0.77 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1lr4 h ASN 60 Cb 3.05 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 41.40 1lr4 h ASN 60 CO -0.04 1.16 -0.30 -0.46 -1.65 0.00 0.00 177.43 176.14 1lr4 n ASN 61 N -4.51 1.74 -1.66 5.81 0.23 -0.91 -4.92 115.26 111.04 1lr4 n ASN 61 Ca -0.15 -1.35 -0.18 0.00 -0.53 0.00 0.00 54.58 52.37 1lr4 n ASN 61 Cb 0.57 0.26 -0.07 0.00 -2.08 0.00 0.00 39.78 38.46 1lr4 n ASN 61 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1lr4 n ASN 62 N -0.07 -4.73 -4.80 0.53 3.02 0.26 -4.97 115.26 104.49 1lr4 n ASN 62 Ca 0.12 0.38 -0.37 0.00 -0.03 0.00 0.00 54.58 54.68 1lr4 n ASN 62 Cb 0.43 -4.21 -0.06 0.00 -0.61 0.00 0.00 39.78 35.33 1lr4 n ASN 62 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1lr4 s GLU 63 N -3.74 4.37 0.58 3.52 2.02 -1.22 -4.75 118.70 119.47 1lr4 s GLU 63 Ca 0.00 1.01 -0.18 0.00 0.02 0.00 0.00 54.97 55.82 1lr4 s GLU 63 Cb 0.00 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 1lr4 s GLU 63 CO 0.00 0.38 1.14 0.15 0.02 0.00 0.00 175.26 176.95 1lr4 s LYS 64 N -1.91 3.17 0.36 1.61 1.02 -1.26 -0.23 119.74 122.51 1lr4 s LYS 64 Ca 0.44 1.61 -0.05 0.00 0.02 0.00 0.00 55.97 57.99 1lr4 s LYS 64 Cb -0.18 -1.98 0.02 0.00 -0.52 0.00 0.00 37.83 35.17 1lr4 s LYS 64 CO 0.22 -0.99 0.55 0.00 -0.92 0.00 0.00 175.35 174.21 1lr4 s ILE 66 N -2.79 2.08 -0.18 0.00 -1.09 0.33 -1.25 121.20 118.31 1lr4 s ILE 66 Ca 0.28 -1.02 -0.01 0.00 -2.23 0.00 0.00 60.65 57.67 1lr4 s ILE 66 Cb -0.02 -1.78 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 1lr4 s ILE 66 CO 0.19 0.56 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.70 1lr4 s ILE 67 N 0.20 2.66 -0.34 2.92 1.01 0.95 -0.66 121.20 127.95 1lr4 s ILE 67 Ca -0.15 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 1lr4 s ILE 67 Cb -0.17 -2.15 0.04 0.00 0.01 0.00 0.00 42.46 40.20 1lr4 s ILE 67 CO 0.08 0.50 0.10 -0.75 0.00 0.00 0.00 174.94 174.86 1lr4 s LYS 68 N 1.11 2.58 -0.24 2.79 2.20 -0.32 0.35 119.74 128.21 1lr4 s LYS 68 Ca 0.00 -1.22 -0.16 0.00 -0.36 0.00 0.00 55.97 54.24 1lr4 s LYS 68 Cb -0.14 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1lr4 s LYS 68 CO -0.05 -0.68 0.41 0.42 -0.36 0.00 0.00 175.35 175.10 1lr4 s ILE 69 N 1.38 5.16 0.03 5.43 1.01 0.26 -1.05 121.20 133.40 1lr4 s ILE 69 Ca -0.02 0.69 -0.27 0.00 0.00 0.00 0.00 60.65 61.05 1lr4 s ILE 69 Cb -0.20 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 1lr4 s ILE 69 CO 0.02 0.17 0.83 -0.76 0.00 0.00 0.00 174.94 175.21 1lr4 s LEU 70 N 1.86 4.42 0.64 2.97 1.02 -0.71 -1.55 118.68 127.33 1lr4 s LEU 70 Ca 0.18 1.51 -0.15 0.00 0.02 0.00 0.00 54.13 55.68 1lr4 s LEU 70 Cb -0.15 -3.34 -0.01 0.00 0.02 0.00 0.00 46.19 42.71 1lr4 s LEU 70 CO 0.09 -0.08 1.10 -0.54 0.02 0.00 0.00 176.35 176.94 1lr4 s LYS 71 N 0.32 2.92 0.13 1.70 1.02 -0.25 -4.64 119.74 120.93 1lr4 s LYS 71 Ca 0.43 1.35 -0.34 0.00 0.02 0.00 0.00 55.97 57.43 1lr4 s LYS 71 Cb -0.21 -1.97 -0.14 0.00 -0.52 0.00 0.00 37.83 35.00 1lr4 s LYS 71 CO 0.24 -1.15 1.61 -2.30 -0.92 0.00 0.00 175.35 172.83 1lr4 n PRO 72 N -2.32 2.12 -3.97 -1.68 -0.02 -1.26 -4.94 135.00 122.93 1lr4 n PRO 72 Ca 0.10 0.77 -0.10 0.00 -2.02 0.00 0.00 63.50 62.25 1lr4 n PRO 72 Cb 0.52 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 1lr4 n PRO 72 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1lr4 s VAL 73 N 1.31 0.03 0.51 -1.45 -7.23 -1.26 -5.12 120.40 107.19 1lr4 s VAL 73 Ca 0.81 -1.37 -0.23 0.00 -1.81 0.00 0.00 61.98 59.38 1lr4 s VAL 73 Cb -0.69 -2.01 -0.06 0.00 0.56 0.00 0.00 36.38 34.17 1lr4 s VAL 73 CO 0.40 -0.13 1.31 1.17 -0.31 0.00 0.00 175.10 177.54 1lr4 n LYS 74 N -0.31 1.74 -0.26 4.82 0.00 -1.26 -4.90 118.16 118.00 1lr4 n LYS 74 Ca -0.05 0.63 0.09 0.00 0.00 0.00 0.00 58.31 58.99 1lr4 n LYS 74 Cb 0.63 -2.50 0.35 0.00 0.00 0.00 0.00 35.03 33.51 1lr4 n LYS 74 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1lr4 h LYS 75 N 1.60 0.74 -0.13 1.64 2.10 -2.01 -2.62 116.57 117.89 1lr4 h LYS 75 Ca -0.50 -0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.14 1lr4 h LYS 75 Cb 1.30 -0.17 -0.03 0.00 -0.90 0.00 0.00 32.23 32.43 1lr4 h LYS 75 CO 0.58 0.49 -0.07 1.57 -2.00 0.00 0.00 179.45 180.02 1lr4 h LYS 76 N 0.76 -0.06 -0.54 0.07 2.10 -1.98 -0.11 116.57 116.82 1lr4 h LYS 76 Ca 0.41 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 59.09 1lr4 h LYS 76 Cb 0.53 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.85 1lr4 h LYS 76 CO -0.17 -0.04 0.36 0.87 -2.00 0.00 0.00 179.45 178.47 1lr4 h LYS 77 N -0.06 0.61 -0.21 0.07 1.79 -1.84 0.65 116.57 117.58 1lr4 h LYS 77 Ca 0.07 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.45 1lr4 h LYS 77 Cb 0.17 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1lr4 h LYS 77 CO -0.17 0.40 -0.08 0.82 -1.08 0.00 0.00 179.45 179.34 1lr4 h ILE 78 N 0.62 1.30 -0.78 1.86 2.04 -1.25 -2.51 117.51 118.78 1lr4 h ILE 78 Ca 0.22 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.97 1lr4 h ILE 78 Cb 0.09 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1lr4 h ILE 78 CO -0.06 0.34 0.52 0.11 0.00 0.00 0.00 178.15 179.06 1lr4 h LYS 79 N 0.14 1.02 0.06 2.37 1.57 -0.11 -2.71 116.57 118.90 1lr4 h LYS 79 Ca 0.05 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1lr4 h LYS 79 Cb 0.56 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1lr4 h LYS 79 CO 0.03 0.67 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.46 1lr4 h ARG 80 N 1.05 -0.07 -0.76 3.15 2.43 -0.69 -2.06 114.38 117.42 1lr4 h ARG 80 Ca 0.29 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1lr4 h ARG 80 Cb -0.10 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1lr4 h ARG 80 CO -0.07 0.01 0.50 1.49 -1.51 0.00 0.00 179.97 180.39 1lr4 h GLU 81 N -0.14 0.98 -0.14 0.20 4.81 -1.32 -1.53 114.58 117.44 1lr4 h GLU 81 Ca -0.01 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1lr4 h GLU 81 Cb 0.12 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1lr4 h GLU 81 CO 0.01 0.65 0.02 0.82 -0.73 0.00 0.00 179.01 179.78 1lr4 h ILE 82 N 1.01 1.22 -0.79 2.32 2.04 -1.43 -0.80 117.51 121.08 1lr4 h ILE 82 Ca 0.28 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1lr4 h ILE 82 Cb -0.09 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1lr4 h ILE 82 CO -0.07 0.21 0.40 0.50 0.00 0.00 0.00 178.15 179.19 1lr4 h LYS 83 N -0.00 1.13 -0.20 2.37 1.63 -1.25 0.93 116.57 121.17 1lr4 h LYS 83 Ca 0.04 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 1lr4 h LYS 83 Cb 0.30 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1lr4 h LYS 83 CO 0.00 0.86 0.03 0.82 -3.45 0.00 0.00 179.45 177.71 1lr4 h ILE 84 N 1.11 1.23 -0.91 2.00 2.04 -1.16 -0.11 117.51 121.72 1lr4 h ILE 84 Ca 0.27 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.42 1lr4 h ILE 84 Cb 0.09 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1lr4 h ILE 84 CO -0.04 0.24 0.58 -0.07 0.00 0.00 0.00 178.15 178.85 1lr4 h LEU 85 N 0.12 0.93 -0.34 1.44 3.38 -0.80 -0.93 115.31 119.10 1lr4 h LEU 85 Ca 0.06 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1lr4 h LEU 85 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1lr4 h LEU 85 CO 0.01 0.61 0.03 1.56 0.09 0.00 0.00 178.44 180.74 1lr4 h GLN 86 N 1.07 0.58 -0.79 1.13 4.20 -0.51 -0.89 115.11 119.90 1lr4 h GLN 86 Ca 0.38 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.96 1lr4 h GLN 86 Cb 0.12 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1lr4 h GLN 86 CO -0.16 0.67 0.52 -0.91 -0.67 0.00 0.00 178.83 178.29 1lr4 h ASN 87 N 0.40 0.83 0.34 1.46 2.35 -0.76 -2.89 115.58 117.30 1lr4 h ASN 87 Ca 0.10 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1lr4 h ASN 87 Cb 0.39 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1lr4 h ASN 87 CO 0.01 0.57 -0.48 0.18 -1.65 0.00 0.00 177.43 176.06 1lr4 n LEU 88 N -4.45 0.80 -4.65 1.61 4.77 -0.38 -4.96 117.00 109.74 1lr4 n LEU 88 Ca 0.10 -0.17 -0.50 0.00 -0.03 0.00 0.00 56.01 55.41 1lr4 n LEU 88 Cb 0.12 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1lr4 n LEU 88 CO 0.35 0.17 1.14 0.00 -1.33 0.00 0.00 177.39 177.72 1lr4 n GLY 90 N 3.31 1.53 3.75 0.00 0.00 -1.26 -5.07 105.19 107.45 1lr4 n GLY 90 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1lr4 n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lr4 s GLY 91 N -2.42 1.83 0.15 -0.02 0.00 -0.50 -4.92 107.32 101.45 1lr4 s GLY 91 Ca 0.00 0.44 -0.31 0.00 0.00 0.00 0.00 44.72 44.85 1lr4 s GLY 91 CO 0.00 0.81 1.60 2.56 0.00 0.00 0.00 173.10 178.07 1lr4 s PRO 92 N -4.61 4.20 -1.86 2.90 0.04 -1.26 -2.73 135.00 131.68 1lr4 s PRO 92 Ca 0.65 2.38 0.00 0.00 0.04 0.00 0.00 61.00 64.07 1lr4 s PRO 92 Cb -0.20 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1lr4 s PRO 92 CO 0.53 -0.64 0.00 0.09 0.04 0.00 0.00 177.00 177.01 1lr4 n ASN 93 N 4.26 -5.03 -4.70 6.66 3.02 -1.26 -3.78 115.26 114.43 1lr4 n ASN 93 Ca 0.14 0.34 -0.36 0.00 -0.03 0.00 0.00 54.58 54.67 1lr4 n ASN 93 Cb 0.38 -4.40 -0.08 0.00 -0.61 0.00 0.00 39.78 35.07 1lr4 n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1lr4 s ILE 94 N -2.68 5.32 0.37 2.41 -1.09 -1.11 -0.82 121.20 123.61 1lr4 s ILE 94 Ca 0.00 0.42 -0.26 0.00 -2.23 0.00 0.00 60.65 58.58 1lr4 s ILE 94 Cb 0.00 -3.59 -0.12 0.00 -1.58 0.00 0.00 42.46 37.18 1lr4 s ILE 94 CO 0.00 0.36 1.08 0.55 -1.23 0.00 0.00 174.94 175.70 1lr4 n VAL 95 N 3.88 2.25 -3.57 2.92 3.14 -1.13 -4.73 118.33 121.08 1lr4 n VAL 95 Ca -0.13 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.36 1lr4 n VAL 95 Cb 0.52 -1.22 -0.11 0.00 -1.06 0.00 0.00 33.84 31.96 1lr4 n VAL 95 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1lr4 s LYS 96 N -1.89 3.47 -0.04 1.45 2.20 -1.26 -4.85 119.74 118.81 1lr4 s LYS 96 Ca 0.60 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 55.26 1lr4 s LYS 96 Cb -0.59 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 31.96 1lr4 s LYS 96 CO 0.59 -0.42 1.36 -1.17 -0.36 0.00 0.00 175.35 175.34 1lr4 s LEU 97 N 1.69 4.29 -0.24 5.43 2.96 -1.26 -1.93 118.68 129.62 1lr4 s LEU 97 Ca 0.06 1.99 0.07 0.00 -0.22 0.00 0.00 54.13 56.03 1lr4 s LEU 97 Cb -0.17 -3.55 -0.19 0.00 0.50 0.00 0.00 46.19 42.77 1lr4 s LEU 97 CO 0.09 -0.71 -0.13 0.18 -1.32 0.00 0.00 176.35 174.46 1lr4 n LEU 98 N 5.70 1.98 -3.75 -0.68 4.77 0.43 -4.95 117.00 120.50 1lr4 n LEU 98 Ca 0.13 -0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 1lr4 n LEU 98 Cb 0.44 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1lr4 n LEU 98 CO 0.58 0.79 0.47 -0.62 -1.33 0.00 0.00 177.39 177.27 1lr4 s ASP 99 N -6.14 -0.33 -0.04 -1.43 -1.08 -1.02 -5.01 116.67 101.61 1lr4 s ASP 99 Ca -0.26 -0.45 0.00 0.00 -0.52 0.00 0.00 52.55 51.32 1lr4 s ASP 99 Cb 0.08 0.68 0.03 0.00 -1.46 0.00 0.00 42.92 42.25 1lr4 s ASP 99 CO 0.67 -1.23 -0.01 -0.63 0.52 0.00 0.00 175.17 174.49 1lr4 s ILE 100 N -3.84 0.33 0.05 4.11 1.01 -1.26 -1.36 121.20 120.24 1lr4 s ILE 100 Ca 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 1lr4 s ILE 100 Cb -0.05 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.99 1lr4 s ILE 100 CO 0.02 0.19 0.05 0.68 0.00 0.00 0.00 174.94 175.89 1lr4 s VAL 101 N 1.20 0.17 -0.01 2.92 -7.23 -0.57 -0.19 120.40 116.68 1lr4 s VAL 101 Ca -0.07 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1lr4 s VAL 101 Cb -0.14 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.65 1lr4 s VAL 101 CO -0.02 -0.76 -0.04 0.00 -0.31 0.00 0.00 175.10 173.98 1lr4 s ARG 102 N -3.24 0.36 -0.13 4.82 1.70 -1.26 -0.39 118.95 120.81 1lr4 s ARG 102 Ca 0.00 -0.12 -0.29 0.00 -0.47 0.00 0.00 55.73 54.85 1lr4 s ARG 102 Cb 0.03 -0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 33.98 1lr4 s ARG 102 CO -0.08 0.05 1.78 0.34 -1.08 0.00 0.00 175.30 176.32 1lr4 s ASP 103 N 0.10 6.32 0.18 -2.89 2.15 -0.72 -4.82 116.67 116.99 1lr4 s ASP 103 Ca -0.01 2.00 -0.23 0.00 0.43 0.00 0.00 52.55 54.74 1lr4 s ASP 103 Cb -0.04 -2.53 0.08 0.00 -0.30 0.00 0.00 42.92 40.13 1lr4 s ASP 103 CO -0.00 -1.24 1.57 -0.61 -0.17 0.00 0.00 175.17 174.71 1lr4 h GLN 104 N 11.06 -0.18 0.17 4.34 4.15 -1.96 1.57 115.11 134.25 1lr4 h GLN 104 Ca -0.39 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.03 1lr4 h GLN 104 Cb 1.19 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1lr4 h GLN 104 CO 0.97 -0.12 -0.08 0.45 -1.93 0.00 0.00 178.83 178.12 1lr4 h HIS 105 N -0.19 -0.21 -0.16 3.99 3.86 -2.00 -3.31 115.15 117.14 1lr4 h HIS 105 Ca 0.21 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.33 1lr4 h HIS 105 Cb 0.56 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1lr4 h HIS 105 CO -0.70 -0.13 -0.27 0.66 0.86 0.00 0.00 177.93 178.35 1lr4 h SER 106 N -0.25 0.30 -1.84 2.45 4.64 -1.95 -3.46 113.55 113.44 1lr4 h SER 106 Ca -0.02 -0.10 -0.21 0.00 -0.47 0.00 0.00 61.79 60.99 1lr4 h SER 106 Cb 0.17 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1lr4 h SER 106 CO 0.04 0.57 -0.28 0.29 -0.87 0.00 0.00 176.83 176.58 1lr4 n LYS 107 N -4.14 -1.40 -2.65 4.77 4.76 0.54 -4.98 118.16 115.05 1lr4 n LYS 107 Ca -0.01 0.49 -0.43 0.00 -2.87 0.00 0.00 58.31 55.49 1lr4 n LYS 107 Cb 0.38 -4.52 -0.02 0.00 -1.84 0.00 0.00 35.03 29.03 1lr4 n LYS 107 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1lr4 s THR 108 N -2.64 4.60 0.40 -0.18 2.01 -1.24 -4.73 115.64 113.86 1lr4 s THR 108 Ca 0.05 1.88 -0.23 0.00 0.31 0.00 0.00 61.69 63.70 1lr4 s THR 108 Cb -0.02 -4.36 -0.09 0.00 0.01 0.00 0.00 72.50 68.03 1lr4 s THR 108 CO 0.07 -0.33 1.02 -2.84 -0.69 0.00 0.00 174.62 171.85 1lr4 s PRO 109 N 3.42 4.18 -0.03 4.92 0.02 -1.26 -1.76 135.00 144.49 1lr4 s PRO 109 Ca 0.45 1.42 0.03 0.00 0.02 0.00 0.00 61.00 62.92 1lr4 s PRO 109 Cb -0.14 -2.47 -0.00 0.00 0.02 0.00 0.00 34.50 31.91 1lr4 s PRO 109 CO 0.11 -0.11 -0.12 -1.12 -0.33 0.00 0.00 177.00 175.42 1lr4 s SER 110 N -1.70 1.58 -0.11 2.53 0.01 0.48 -1.73 113.70 114.75 1lr4 s SER 110 Ca 0.59 -0.25 -0.04 0.00 1.31 0.00 0.00 55.95 57.56 1lr4 s SER 110 Cb -0.19 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 1lr4 s SER 110 CO 0.24 0.11 0.04 -0.76 0.41 0.00 0.00 173.24 173.28 1lr4 s LEU 111 N 0.04 3.77 -0.15 2.44 1.43 -0.22 -1.52 118.68 124.47 1lr4 s LEU 111 Ca -0.02 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1lr4 s LEU 111 Cb -0.09 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1lr4 s LEU 111 CO 0.01 0.34 -0.08 -0.63 0.23 0.00 0.00 176.35 176.21 1lr4 s ILE 112 N -0.62 3.38 0.20 -0.59 -1.09 -0.46 -1.17 121.20 120.85 1lr4 s ILE 112 Ca 0.11 -0.53 0.09 0.00 -2.23 0.00 0.00 60.65 58.09 1lr4 s ILE 112 Cb -0.12 -2.46 -0.05 0.00 -1.58 0.00 0.00 42.46 38.25 1lr4 s ILE 112 CO 0.02 0.50 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.69 1lr4 s PHE 113 N 0.55 1.91 0.65 3.97 0.08 0.17 -0.43 117.98 124.88 1lr4 s PHE 113 Ca -0.06 -0.47 -0.17 0.00 0.12 0.00 0.00 56.93 56.35 1lr4 s PHE 113 Cb -0.15 -0.90 -0.07 0.00 -0.57 0.00 0.00 43.02 41.33 1lr4 s PHE 113 CO 0.03 0.43 0.44 -0.85 -0.10 0.00 0.00 175.22 175.18 1lr4 n GLU 114 N -0.14 0.36 -2.87 0.44 0.28 -0.81 -0.51 120.64 117.38 1lr4 n GLU 114 Ca -0.10 0.15 -0.40 0.00 -0.16 0.00 0.00 57.16 56.66 1lr4 n GLU 114 Cb 0.59 -1.70 -0.05 0.00 1.43 0.00 0.00 31.44 31.71 1lr4 n GLU 114 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1lr4 s TYR 115 N -1.84 3.86 -0.03 -1.84 5.04 -1.26 -4.01 117.35 117.27 1lr4 s TYR 115 Ca 0.66 1.70 0.03 0.00 -2.44 0.00 0.00 57.07 57.01 1lr4 s TYR 115 Cb -0.39 -2.89 0.00 0.00 0.35 0.00 0.00 41.96 39.03 1lr4 s TYR 115 CO 0.58 0.37 -0.12 0.08 -1.34 0.00 0.00 175.55 175.12 1lr4 s VAL 116 N -0.62 1.03 -1.08 3.14 1.01 -1.26 -4.99 120.40 117.63 1lr4 s VAL 116 Ca 0.40 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 1lr4 s VAL 116 Cb -0.23 -0.91 0.23 0.00 0.00 0.00 0.00 36.38 35.47 1lr4 s VAL 116 CO 0.28 0.31 1.16 0.21 0.00 0.00 0.00 175.10 177.05 1lr4 s ASN 117 N 0.18 7.12 0.40 3.32 2.47 -1.26 -5.01 114.94 122.16 1lr4 s ASN 117 Ca -0.04 -3.18 -0.23 0.00 0.42 0.00 0.00 52.86 49.83 1lr4 s ASN 117 Cb -0.10 -2.28 -0.10 0.00 -1.45 0.00 0.00 41.25 37.32 1lr4 s ASN 117 CO 0.01 -0.52 1.00 0.21 -3.72 0.00 0.00 177.10 174.09 1lr4 s ASN 118 N 2.05 6.89 -0.17 -4.21 2.47 -1.26 -4.19 114.94 116.52 1lr4 s ASN 118 Ca 0.32 1.91 -0.04 0.00 0.42 0.00 0.00 52.86 55.47 1lr4 s ASN 118 Cb -0.08 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.13 1lr4 s ASN 118 CO -0.06 -0.39 -0.03 -0.89 -3.72 0.00 0.00 177.10 172.01 1lr4 s THR 119 N -1.79 3.89 -0.21 -5.21 2.01 0.19 -4.98 115.64 109.55 1lr4 s THR 119 Ca 0.58 -0.35 -0.35 0.00 0.31 0.00 0.00 61.69 61.87 1lr4 s THR 119 Cb -0.18 -2.72 -0.12 0.00 0.01 0.00 0.00 72.50 69.49 1lr4 s THR 119 CO 0.23 0.47 1.96 -0.67 -0.69 0.00 0.00 174.62 175.92 1lr4 n ASP 120 N 3.77 2.89 0.18 3.53 4.64 -1.26 -4.63 116.55 125.67 1lr4 n ASP 120 Ca -0.17 0.79 0.15 0.00 -1.38 0.00 0.00 54.79 54.17 1lr4 n ASP 120 Cb 0.52 -1.31 0.73 0.00 -1.04 0.00 0.00 41.12 40.02 1lr4 n ASP 120 CO 0.00 0.00 0.00 2.19 -0.82 0.00 0.00 177.20 178.57 1lr4 h PHE 121 N 10.11 0.00 -0.02 -0.67 -0.00 -1.94 0.45 116.94 124.87 1lr4 h PHE 121 Ca -0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.50 1lr4 h PHE 121 Cb 1.29 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.23 1lr4 h PHE 121 CO 0.89 0.00 -0.22 0.87 -0.00 0.00 0.00 178.31 179.84 1lr4 h LYS 122 N 0.00 0.04 0.01 6.09 1.57 -2.00 -1.06 116.57 121.21 1lr4 h LYS 122 Ca 0.09 -0.01 -0.37 0.00 -1.87 0.00 0.00 60.65 58.50 1lr4 h LYS 122 Cb 0.42 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 1lr4 h LYS 122 CO -0.00 0.26 -2.34 1.33 -0.57 0.00 0.00 179.45 178.13 1lr4 n VAL 123 N -4.26 1.46 0.16 0.50 0.24 -0.26 -4.55 118.33 111.62 1lr4 n VAL 123 Ca -0.02 -0.76 -0.14 0.00 -2.04 0.00 0.00 64.34 61.38 1lr4 n VAL 123 Cb 0.29 -0.84 -0.08 0.00 -1.47 0.00 0.00 33.84 31.73 1lr4 n VAL 123 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1lr4 h LEU 124 N 0.00 -0.32 -0.42 1.34 5.85 -0.87 -3.37 115.31 117.53 1lr4 h LEU 124 Ca -0.53 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.20 1lr4 h LEU 124 Cb 2.12 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 43.15 1lr4 h LEU 124 CO 0.00 -0.13 -0.07 1.88 -0.34 0.00 0.00 178.44 179.78 1lr4 h TYR 125 N -0.49 -0.17 0.00 1.25 -1.99 -1.43 0.12 116.97 114.27 1lr4 h TYR 125 Ca -0.04 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1lr4 h TYR 125 Cb 0.36 0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.23 1lr4 h TYR 125 CO -0.03 -0.16 0.00 -2.30 -0.00 0.00 0.00 178.16 175.68 1lr4 n PRO 126 N -5.29 0.02 0.00 4.88 -0.02 -1.26 -1.87 135.00 131.46 1lr4 n PRO 126 Ca 0.03 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 61.95 1lr4 n PRO 126 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1lr4 n PRO 126 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1lr4 n THR 127 N -1.39 0.00 -2.23 3.45 -2.24 0.42 -4.99 114.28 107.30 1lr4 n THR 127 Ca 0.01 -0.34 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 1lr4 n THR 127 Cb 0.02 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 1lr4 n THR 127 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1lr4 s LEU 128 N -2.04 4.45 0.34 3.22 1.43 -0.78 -5.01 118.68 120.28 1lr4 s LEU 128 Ca 0.14 2.51 -0.06 0.00 -1.03 0.00 0.00 54.13 55.69 1lr4 s LEU 128 Cb 0.13 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 1lr4 s LEU 128 CO 0.41 -0.44 0.62 0.42 0.23 0.00 0.00 176.35 177.59 1lr4 s THR 129 N -0.78 4.97 0.23 5.49 -4.23 -1.26 -4.89 115.64 115.17 1lr4 s THR 129 Ca 0.50 0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 61.11 1lr4 s THR 129 Cb -0.37 -3.76 0.36 0.00 1.34 0.00 0.00 72.50 70.07 1lr4 s THR 129 CO 0.46 -0.44 1.25 -0.67 -0.54 0.00 0.00 174.62 174.69 1lr4 n ASP 130 N -1.21 -0.24 -0.18 3.99 -0.08 -1.26 0.15 116.55 117.72 1lr4 n ASP 130 Ca -0.01 1.38 -0.09 0.00 -1.51 0.00 0.00 54.79 54.56 1lr4 n ASP 130 Cb 0.54 -0.44 0.01 0.00 2.34 0.00 0.00 41.12 43.57 1lr4 n ASP 130 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1lr4 h TYR 131 N 0.00 0.92 -0.63 -0.67 3.20 -1.95 -2.50 116.97 115.33 1lr4 h TYR 131 Ca 0.41 -0.13 0.10 0.00 3.14 0.00 0.00 58.73 62.26 1lr4 h TYR 131 Cb 0.70 -0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.64 1lr4 h TYR 131 CO -0.56 0.83 0.23 -0.44 -1.64 0.00 0.00 178.16 176.58 1lr4 h ASP 132 N 0.73 0.21 -0.36 -2.11 3.32 0.99 -0.83 116.42 118.37 1lr4 h ASP 132 Ca 0.15 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.34 1lr4 h ASP 132 Cb 0.42 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 1lr4 h ASP 132 CO 0.01 0.11 0.08 0.40 -1.72 0.00 0.00 179.24 178.13 1lr4 h ILE 133 N 0.40 0.83 -0.42 0.35 2.04 -0.95 -1.25 117.51 118.50 1lr4 h ILE 133 Ca 0.33 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 66.18 1lr4 h ILE 133 Cb 0.43 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1lr4 h ILE 133 CO -0.34 0.04 0.10 0.03 0.00 0.00 0.00 178.15 177.98 1lr4 h ARG 134 N 0.21 0.24 -0.42 2.37 3.08 -1.17 0.11 114.38 118.79 1lr4 h ARG 134 Ca 0.17 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 1lr4 h ARG 134 Cb 0.19 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1lr4 h ARG 134 CO -0.22 0.16 0.07 -0.92 -1.07 0.00 0.00 179.97 177.99 1lr4 h TYR 135 N 0.24 0.73 -0.00 3.04 3.20 -0.75 -0.91 116.97 122.52 1lr4 h TYR 135 Ca 0.20 -0.10 -0.19 0.00 3.14 0.00 0.00 58.73 61.78 1lr4 h TYR 135 Cb 0.24 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1lr4 h TYR 135 CO -0.19 0.71 -0.86 1.88 -1.64 0.00 0.00 178.16 178.05 1lr4 h TYR 136 N 0.54 0.28 -0.20 -3.82 0.05 -0.67 -1.96 116.97 111.20 1lr4 h TYR 136 Ca 0.13 -0.15 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 1lr4 h TYR 136 Cb 0.37 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 1lr4 h TYR 136 CO 0.02 0.96 -0.12 0.82 -1.05 0.00 0.00 178.16 178.79 1lr4 h ILE 137 N 0.11 1.31 -0.77 -2.88 1.08 -0.70 -1.25 117.51 114.42 1lr4 h ILE 137 Ca -0.04 -1.21 0.15 0.00 -0.39 0.00 0.00 64.86 63.37 1lr4 h ILE 137 Cb 1.48 1.68 -0.10 0.00 -3.07 0.00 0.00 36.82 36.82 1lr4 h ILE 137 CO 0.13 0.37 0.30 0.22 -0.69 0.00 0.00 178.15 178.47 1lr4 h TYR 138 N 0.11 0.50 -0.33 1.37 3.20 -1.14 0.09 116.97 120.78 1lr4 h TYR 138 Ca 0.04 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1lr4 h TYR 138 Cb 0.62 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1lr4 h TYR 138 CO 0.07 0.03 -0.20 0.93 -1.64 0.00 0.00 178.16 177.36 1lr4 h GLU 139 N 0.42 0.62 -0.48 1.82 4.39 -0.93 -2.29 114.58 118.13 1lr4 h GLU 139 Ca 0.43 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 1lr4 h GLU 139 Cb 0.69 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1lr4 h GLU 139 CO -0.43 0.78 -0.05 1.25 -1.16 0.00 0.00 179.01 179.40 1lr4 h LEU 140 N 0.55 0.88 -1.18 1.33 5.85 -0.54 -2.85 115.31 119.36 1lr4 h LEU 140 Ca 0.09 -0.33 0.13 0.00 0.84 0.00 0.00 57.88 58.61 1lr4 h LEU 140 Cb 0.64 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 1lr4 h LEU 140 CO 0.05 1.00 0.60 -0.07 -0.34 0.00 0.00 178.44 179.67 1lr4 h LEU 141 N 0.74 0.76 -1.00 2.25 3.38 -0.68 -1.41 115.31 119.34 1lr4 h LEU 141 Ca 0.13 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1lr4 h LEU 141 Cb 0.58 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1lr4 h LEU 141 CO 0.03 0.39 0.66 0.11 0.09 0.00 0.00 178.44 179.72 1lr4 h LYS 142 N 0.81 1.24 -0.54 1.13 1.57 -1.18 -0.49 116.57 119.12 1lr4 h LYS 142 Ca 0.47 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 59.08 1lr4 h LYS 142 Cb 0.63 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1lr4 h LYS 142 CO -0.23 0.82 -0.03 0.00 -0.57 0.00 0.00 179.45 179.45 1lr4 h ALA 143 N 1.40 0.72 -0.27 3.86 0.00 -1.20 -1.53 119.26 122.25 1lr4 h ALA 143 Ca 0.39 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1lr4 h ALA 143 Cb -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1lr4 h ALA 143 CO -0.12 0.57 -0.39 -0.07 0.00 0.00 0.00 179.25 179.25 1lr4 h LEU 144 N 0.84 0.80 -0.64 0.00 3.38 -1.05 -0.05 115.31 118.59 1lr4 h LEU 144 Ca 0.15 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1lr4 h LEU 144 Cb 0.57 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1lr4 h LEU 144 CO 0.03 1.15 0.23 -0.78 0.09 0.00 0.00 178.44 179.16 1lr4 h ASP 145 N 0.47 0.90 0.32 -0.43 3.58 -1.13 -1.53 116.42 118.59 1lr4 h ASP 145 Ca 0.03 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 1lr4 h ASP 145 Cb 0.98 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1lr4 h ASP 145 CO 0.09 0.85 -0.15 0.22 -2.88 0.00 0.00 179.24 177.36 1lr4 h TYR 146 N 0.90 -0.39 -0.64 0.28 3.20 -1.03 -1.55 116.97 117.74 1lr4 h TYR 146 Ca 0.21 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1lr4 h TYR 146 Cb 0.25 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1lr4 h TYR 146 CO 0.02 -0.24 0.21 0.00 -1.64 0.00 0.00 178.16 176.50 1lr4 h HIS 148 N 0.94 0.99 0.00 0.00 3.86 -1.21 -0.74 115.15 118.99 1lr4 h HIS 148 Ca 0.21 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1lr4 h HIS 148 Cb 0.26 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1lr4 h HIS 148 CO 0.02 0.78 0.00 0.66 0.86 0.00 0.00 177.93 180.25 1lr4 h SER 149 N 0.91 0.00 -0.54 2.45 4.64 -0.79 -0.65 113.55 119.57 1lr4 h SER 149 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1lr4 h SER 149 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1lr4 h SER 149 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 1lr4 n GLN 150 N -2.97 3.70 -1.71 4.77 1.13 -0.41 -4.94 117.38 116.95 1lr4 n GLN 150 Ca -0.01 -2.84 -0.05 0.00 -1.94 0.00 0.00 57.00 52.16 1lr4 n GLN 150 Cb 0.17 -1.88 -0.01 0.00 0.11 0.00 0.00 30.24 28.63 1lr4 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1lr4 n GLY 151 N 0.69 0.41 3.24 1.08 0.00 -0.25 -4.94 105.19 105.42 1lr4 n GLY 151 Ca 0.24 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 1lr4 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lr4 s ILE 152 N -2.23 1.59 -0.07 -0.61 1.01 -0.50 -1.07 121.20 119.31 1lr4 s ILE 152 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.44 1lr4 s ILE 152 Cb 0.00 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 1lr4 s ILE 152 CO 0.00 0.14 -0.06 -0.04 0.00 0.00 0.00 174.94 174.98 1lr4 s MET 153 N -1.26 2.82 -0.12 2.79 -1.94 -0.16 -3.09 119.30 118.34 1lr4 s MET 153 Ca 0.06 -0.54 -0.27 0.00 -1.71 0.00 0.00 55.69 53.24 1lr4 s MET 153 Cb -0.09 -2.62 -0.24 0.00 2.01 0.00 0.00 34.83 33.89 1lr4 s MET 153 CO 0.02 0.64 0.81 1.25 -0.01 0.00 0.00 175.02 177.73 1lr4 h HIS 154 N 5.33 -0.01 0.00 -0.03 2.76 -1.92 -2.46 115.15 118.83 1lr4 h HIS 154 Ca -0.48 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1lr4 h HIS 154 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1lr4 h HIS 154 CO 0.57 0.87 0.00 0.54 -1.30 0.00 0.00 177.93 178.61 1lr4 n ARG 155 N -4.66 -0.65 -2.71 5.26 1.74 -1.26 -2.72 116.66 111.67 1lr4 n ARG 155 Ca -0.09 0.16 -0.05 0.00 -0.77 0.00 0.00 57.85 57.09 1lr4 n ARG 155 Cb 0.42 -3.67 0.08 0.00 -1.02 0.00 0.00 32.46 28.27 1lr4 n ARG 155 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1lr4 n ASP 156 N -0.32 -0.04 -4.68 0.55 2.03 -1.26 -1.36 116.55 111.46 1lr4 n ASP 156 Ca 0.00 -2.41 -0.42 0.00 0.52 0.00 0.00 54.79 52.47 1lr4 n ASP 156 Cb 0.16 0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.69 1lr4 n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1lr4 s VAL 157 N -1.70 4.01 0.02 5.18 1.01 -1.26 -4.79 120.40 122.87 1lr4 s VAL 157 Ca 0.22 1.34 -0.28 0.00 0.00 0.00 0.00 61.98 63.26 1lr4 s VAL 157 Cb 0.41 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 33.03 1lr4 s VAL 157 CO -0.04 -0.03 0.92 -1.59 0.00 0.00 0.00 175.10 174.36 1lr4 s LYS 158 N 2.61 0.87 0.28 2.72 -2.85 -1.26 -4.76 119.74 117.34 1lr4 s LYS 158 Ca 0.60 -0.36 -0.00 0.00 -1.00 0.00 0.00 55.97 55.20 1lr4 s LYS 158 Cb -0.27 0.37 0.49 0.00 -2.06 0.00 0.00 37.83 36.36 1lr4 s LYS 158 CO 0.23 -0.39 1.85 -1.35 0.10 0.00 0.00 175.35 175.80 1lr4 h PRO 159 N 2.00 1.04 -0.04 1.78 0.11 -1.92 0.25 132.00 135.22 1lr4 h PRO 159 Ca -0.22 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.84 1lr4 h PRO 159 Cb 1.24 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1lr4 h PRO 159 CO 0.29 0.69 0.04 0.45 -0.21 0.00 0.00 178.00 179.27 1lr4 h HIS 160 N 1.07 0.00 -0.66 0.65 3.86 -1.96 -1.64 115.15 116.46 1lr4 h HIS 160 Ca 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1lr4 h HIS 160 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1lr4 h HIS 160 CO -0.00 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.88 1lr4 n ASN 161 N -3.80 4.01 -4.07 2.45 3.02 0.87 -4.77 115.26 112.97 1lr4 n ASN 161 Ca -0.02 -2.12 -0.33 0.00 -0.03 0.00 0.00 54.58 52.09 1lr4 n ASN 161 Cb 0.13 -0.48 -0.14 0.00 -0.61 0.00 0.00 39.78 38.68 1lr4 n ASN 161 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1lr4 s VAL 162 N -1.22 2.54 -0.08 2.41 1.01 -0.62 -1.29 120.40 123.16 1lr4 s VAL 162 Ca 0.46 -2.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.20 1lr4 s VAL 162 Cb 0.26 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1lr4 s VAL 162 CO 0.29 -0.44 0.66 -0.04 0.00 0.00 0.00 175.10 175.57 1lr4 s MET 163 N 1.03 4.41 -0.02 2.72 -1.94 0.65 -4.92 119.30 121.23 1lr4 s MET 163 Ca 0.04 0.79 0.04 0.00 -1.71 0.00 0.00 55.69 54.86 1lr4 s MET 163 Cb -0.20 -3.45 -0.01 0.00 2.01 0.00 0.00 34.83 33.18 1lr4 s MET 163 CO -0.06 0.07 -0.15 0.42 -0.01 0.00 0.00 175.02 175.29 1lr4 s ILE 164 N 0.81 1.24 -0.60 2.53 1.01 -1.26 -0.55 121.20 124.38 1lr4 s ILE 164 Ca 0.35 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 1lr4 s ILE 164 Cb -0.17 -1.05 0.15 0.00 0.01 0.00 0.00 42.46 41.40 1lr4 s ILE 164 CO 0.16 0.36 0.40 -0.62 0.00 0.00 0.00 174.94 175.24 1lr4 s ASP 165 N -0.17 5.02 0.46 3.58 -1.08 -0.62 -0.63 116.67 123.22 1lr4 s ASP 165 Ca 0.02 -2.90 0.14 0.00 -0.52 0.00 0.00 52.55 49.29 1lr4 s ASP 165 Cb -0.08 -1.80 1.08 0.00 -1.46 0.00 0.00 42.92 40.66 1lr4 s ASP 165 CO 0.00 -0.33 2.05 -0.74 0.52 0.00 0.00 175.17 176.67 1lr4 h HIS 166 N 6.89 0.30 0.10 -5.34 -0.00 -1.84 -0.62 115.15 114.64 1lr4 h HIS 166 Ca -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1lr4 h HIS 166 Cb 0.94 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.24 1lr4 h HIS 166 CO 0.66 0.17 -0.10 1.49 -0.00 0.00 0.00 177.93 180.15 1lr4 h GLU 167 N 0.31 -0.22 -0.00 5.26 4.57 -1.93 -3.04 114.58 119.52 1lr4 h GLU 167 Ca 0.17 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1lr4 h GLU 167 Cb 0.29 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1lr4 h GLU 167 CO -0.04 -0.14 -0.26 1.28 -1.18 0.00 0.00 179.01 178.67 1lr4 n LEU 168 N -5.22 0.73 -2.71 1.64 4.77 -0.92 -4.97 117.00 110.31 1lr4 n LEU 168 Ca -0.07 -0.10 -0.18 0.00 -0.03 0.00 0.00 56.01 55.63 1lr4 n LEU 168 Cb 0.14 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1lr4 n LEU 168 CO 0.31 0.14 0.15 0.54 -1.33 0.00 0.00 177.39 177.21 1lr4 n ARG 169 N -0.95 -5.56 -4.98 3.23 5.12 -0.29 -5.02 116.66 108.22 1lr4 n ARG 169 Ca 0.11 0.63 -0.32 0.00 -1.93 0.00 0.00 57.85 56.33 1lr4 n ARG 169 Cb 0.33 -5.02 -0.14 0.00 -1.16 0.00 0.00 32.46 26.47 1lr4 n ARG 169 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1lr4 s LYS 170 N -5.88 2.61 -0.03 5.56 2.20 -1.09 -4.99 119.74 118.13 1lr4 s LYS 170 Ca 0.40 -0.75 0.04 0.00 -0.36 0.00 0.00 55.97 55.30 1lr4 s LYS 170 Cb -0.18 -2.35 -0.00 0.00 -1.51 0.00 0.00 37.83 33.79 1lr4 s LYS 170 CO 0.50 0.52 -0.13 -1.17 -0.36 0.00 0.00 175.35 174.70 1lr4 s LEU 171 N -0.46 1.90 -0.02 5.43 0.20 -1.26 -1.59 118.68 122.88 1lr4 s LEU 171 Ca 0.06 -0.25 0.02 0.00 0.69 0.00 0.00 54.13 54.64 1lr4 s LEU 171 Cb -0.12 -0.72 0.00 0.00 -0.43 0.00 0.00 46.19 44.92 1lr4 s LEU 171 CO 0.02 0.12 -0.06 -0.13 -0.29 0.00 0.00 176.35 176.01 1lr4 s ARG 172 N -0.01 0.67 -0.27 1.98 1.81 0.29 -4.55 118.95 118.87 1lr4 s ARG 172 Ca -0.01 -0.21 -0.19 0.00 -1.72 0.00 0.00 55.73 53.61 1lr4 s ARG 172 Cb -0.08 -0.66 -0.02 0.00 -0.45 0.00 0.00 34.95 33.74 1lr4 s ARG 172 CO 0.01 0.08 0.55 -1.17 -0.68 0.00 0.00 175.30 174.08 1lr4 s LEU 173 N 0.20 4.08 0.51 2.53 2.96 -0.00 -0.25 118.68 128.70 1lr4 s LEU 173 Ca -0.02 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.43 1lr4 s LEU 173 Cb -0.07 -2.72 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 1lr4 s LEU 173 CO -0.00 -0.34 0.09 0.27 -1.32 0.00 0.00 176.35 175.05 1lr4 s ILE 174 N 2.39 1.33 -0.54 6.68 -4.36 -0.41 -2.85 121.20 123.44 1lr4 s ILE 174 Ca 0.23 -1.89 -0.14 0.00 -0.26 0.00 0.00 60.65 58.59 1lr4 s ILE 174 Cb -0.15 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.36 1lr4 s ILE 174 CO 0.09 0.00 0.63 -0.67 0.24 0.00 0.00 174.94 175.24 1lr4 n ASP 175 N -1.36 -7.47 -1.19 4.36 -0.08 -1.26 -4.85 116.55 104.70 1lr4 n ASP 175 Ca -0.15 0.21 0.04 0.00 -1.51 0.00 0.00 54.79 53.39 1lr4 n ASP 175 Cb 0.66 -4.74 0.21 0.00 2.34 0.00 0.00 41.12 39.59 1lr4 n ASP 175 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 1lr4 n TRP 176 N -0.81 1.05 0.28 -0.67 7.02 -1.26 -4.45 117.44 118.61 1lr4 n TRP 176 Ca 0.04 -0.37 0.17 0.00 -1.02 0.00 0.00 57.50 56.32 1lr4 n TRP 176 Cb 0.51 -0.29 0.80 0.00 -2.42 0.00 0.00 31.31 29.91 1lr4 n TRP 176 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1lr4 h GLY 177 N 4.55 0.00 -1.17 6.99 0.00 -1.91 -2.91 103.07 108.61 1lr4 h GLY 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1lr4 h GLY 177 CO 0.24 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.82 1lr4 n LEU 178 N -3.27 2.28 -4.77 3.11 4.77 -1.26 -4.85 117.00 113.01 1lr4 n LEU 178 Ca -0.01 -1.14 -0.35 0.00 -0.03 0.00 0.00 56.01 54.48 1lr4 n LEU 178 Cb 0.24 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1lr4 n LEU 178 CO 0.27 0.45 0.80 0.00 -1.33 0.00 0.00 177.39 177.57 1lr4 s ALA 179 N -1.12 2.73 0.05 -1.18 0.00 -1.10 -4.72 121.76 116.42 1lr4 s ALA 179 Ca 0.18 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 1lr4 s ALA 179 Cb 0.12 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1lr4 s ALA 179 CO 0.17 -0.79 -0.03 -1.21 0.00 0.00 0.00 175.76 173.90 1lr4 s GLU 180 N -3.19 0.63 0.09 0.00 0.41 -0.92 -4.91 118.70 110.80 1lr4 s GLU 180 Ca 0.72 -1.22 -0.26 0.00 -0.41 0.00 0.00 54.97 53.79 1lr4 s GLU 180 Cb -0.25 0.17 -0.06 0.00 -1.78 0.00 0.00 34.13 32.21 1lr4 s GLU 180 CO 0.29 -0.10 0.82 -0.06 -0.49 0.00 0.00 175.26 175.72 1lr4 s PHE 181 N -3.86 3.80 -0.18 1.61 0.40 -1.26 -0.99 117.98 117.49 1lr4 s PHE 181 Ca 0.07 1.60 -0.22 0.00 -0.60 0.00 0.00 56.93 57.78 1lr4 s PHE 181 Cb 0.08 -2.87 -0.02 0.00 0.51 0.00 0.00 43.02 40.71 1lr4 s PHE 181 CO -0.09 0.32 0.69 -0.47 0.70 0.00 0.00 175.22 176.36 1lr4 s TYR 182 N -0.32 3.40 -0.09 0.36 5.04 -0.24 -4.93 117.35 120.57 1lr4 s TYR 182 Ca 0.40 1.04 0.02 0.00 -2.44 0.00 0.00 57.07 56.09 1lr4 s TYR 182 Cb -0.22 -2.86 0.01 0.00 0.35 0.00 0.00 41.96 39.25 1lr4 s TYR 182 CO 0.26 -0.17 -0.14 -1.01 -1.34 0.00 0.00 175.55 173.14 1lr4 s HIS 183 N 1.89 1.80 0.04 4.97 3.76 -1.26 -4.54 115.29 121.94 1lr4 s HIS 183 Ca 0.32 -0.78 -0.36 0.00 -0.15 0.00 0.00 55.06 54.09 1lr4 s HIS 183 Cb -0.16 -1.30 -0.15 0.00 1.11 0.00 0.00 32.58 32.08 1lr4 s HIS 183 CO 0.11 -0.40 1.54 -2.30 -0.85 0.00 0.00 174.74 172.85 1lr4 n PRO 184 N 4.04 1.61 -0.79 8.40 -0.02 -1.26 -1.79 135.00 145.19 1lr4 n PRO 184 Ca -0.20 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1lr4 n PRO 184 Cb 0.51 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1lr4 n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lr4 n GLY 185 N 3.28 1.21 3.77 -1.23 0.00 -1.26 -5.01 105.19 105.95 1lr4 n GLY 185 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1lr4 n GLY 185 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lr4 s LYS 186 N -0.08 3.98 -0.23 1.61 2.20 -0.74 -4.97 119.74 121.52 1lr4 s LYS 186 Ca 0.00 1.88 -0.14 0.00 -0.36 0.00 0.00 55.97 57.35 1lr4 s LYS 186 Cb 0.00 -2.64 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 1lr4 s LYS 186 CO 0.00 -0.39 0.32 -1.21 -0.36 0.00 0.00 175.35 173.71 1lr4 s GLU 187 N -2.36 4.10 0.35 4.03 2.02 -1.26 -4.28 118.70 121.30 1lr4 s GLU 187 Ca 0.58 0.02 0.07 0.00 0.02 0.00 0.00 54.97 55.67 1lr4 s GLU 187 Cb -0.31 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.32 1lr4 s GLU 187 CO 0.39 -0.08 0.36 0.71 0.02 0.00 0.00 175.26 176.66 1lr4 s TYR 188 N 1.47 2.92 0.29 1.61 2.02 0.30 -4.97 117.35 121.00 1lr4 s TYR 188 Ca 0.15 -0.31 -0.29 0.00 -0.37 0.00 0.00 57.07 56.24 1lr4 s TYR 188 Cb -0.15 -1.92 -0.10 0.00 -0.40 0.00 0.00 41.96 39.39 1lr4 s TYR 188 CO 0.08 0.07 1.31 1.21 -1.57 0.00 0.00 175.55 176.65 1lr4 s ASN 189 N -4.07 6.81 0.00 2.29 3.84 -1.26 -4.71 114.94 117.84 1lr4 s ASN 189 Ca 0.43 2.61 0.26 0.00 0.21 0.00 0.00 52.86 56.37 1lr4 s ASN 189 Cb -0.07 -2.64 0.69 0.00 -0.55 0.00 0.00 41.25 38.69 1lr4 s ASN 189 CO 0.28 -0.53 1.54 1.33 -2.79 0.00 0.00 177.10 176.93 1lr4 n VAL 190 N 1.35 0.05 -1.94 -5.21 0.24 -1.26 -4.49 118.33 107.08 1lr4 n VAL 190 Ca 0.02 -0.37 -0.39 0.00 -2.04 0.00 0.00 64.34 61.55 1lr4 n VAL 190 Cb 0.42 0.85 -0.01 0.00 -1.47 0.00 0.00 33.84 33.63 1lr4 n VAL 190 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1lr4 n ARG 191 N 0.66 4.47 -4.52 7.34 1.74 -1.26 -4.86 116.66 120.23 1lr4 n ARG 191 Ca 0.17 -3.35 -0.25 0.00 -0.77 0.00 0.00 57.85 53.65 1lr4 n ARG 191 Cb 0.45 -2.62 -0.09 0.00 -1.02 0.00 0.00 32.46 29.18 1lr4 n ARG 191 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1lr4 s VAL 192 N -1.03 1.03 0.33 1.55 -7.23 -1.26 -5.09 120.40 108.70 1lr4 s VAL 192 Ca 0.55 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1lr4 s VAL 192 Cb 0.19 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1lr4 s VAL 192 CO -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.69 1lr4 n ALA 193 N -0.85 -3.57 -2.72 1.32 0.00 -0.47 -4.87 120.51 109.35 1lr4 n ALA 193 Ca -0.06 0.45 -0.32 0.00 0.00 0.00 0.00 53.44 53.51 1lr4 n ALA 193 Cb 0.66 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 1lr4 n ALA 193 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1lr4 s SER 194 N -6.95 5.30 0.22 0.00 0.01 -1.26 -4.96 113.70 106.06 1lr4 s SER 194 Ca 0.00 0.01 -0.14 0.00 1.31 0.00 0.00 55.95 57.13 1lr4 s SER 194 Cb 0.00 -1.41 0.27 0.00 0.21 0.00 0.00 66.02 65.09 1lr4 s SER 194 CO 0.00 0.25 1.41 -1.14 0.41 0.00 0.00 173.24 174.17 1lr4 n ARG 195 N 1.13 -0.18 0.06 12.44 0.63 -1.26 -1.05 116.66 128.43 1lr4 n ARG 195 Ca -0.13 1.40 0.09 0.00 -0.92 0.00 0.00 57.85 58.29 1lr4 n ARG 195 Cb 0.52 -2.09 0.38 0.00 0.45 0.00 0.00 32.46 31.72 1lr4 n ARG 195 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1lr4 n TYR 196 N -5.38 0.37 -0.04 -0.14 4.01 -1.26 -2.33 117.16 112.39 1lr4 n TYR 196 Ca 0.11 0.15 0.01 0.00 -0.16 0.00 0.00 57.90 58.01 1lr4 n TYR 196 Cb 0.39 -0.74 0.04 0.00 -0.31 0.00 0.00 39.34 38.71 1lr4 n TYR 196 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1lr4 n PHE 197 N -1.84 0.11 -2.46 -0.72 3.72 -0.22 -4.59 117.46 111.46 1lr4 n PHE 197 Ca 0.02 -0.50 -0.42 0.00 -0.05 0.00 0.00 57.45 56.51 1lr4 n PHE 197 Cb 0.17 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1lr4 n PHE 197 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1lr4 s LYS 198 N -1.00 4.42 0.67 -1.08 1.02 -0.98 -4.15 119.74 118.64 1lr4 s LYS 198 Ca 0.06 1.71 -0.11 0.00 0.02 0.00 0.00 55.97 57.64 1lr4 s LYS 198 Cb 0.03 -3.43 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1lr4 s LYS 198 CO 0.04 -0.30 1.05 0.20 -0.92 0.00 0.00 175.35 175.42 1lr4 s GLY 199 N 1.19 1.66 0.26 -3.33 0.00 -1.26 -4.90 107.32 100.94 1lr4 s GLY 199 Ca 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 44.72 45.29 1lr4 s GLY 199 CO 0.27 0.31 1.78 -2.55 0.00 0.00 0.00 173.10 172.90 1lr4 h PRO 200 N -0.59 0.65 -0.98 2.90 0.11 -1.94 0.51 132.00 132.67 1lr4 h PRO 200 Ca -0.44 -0.04 0.26 0.00 0.11 0.00 0.00 66.00 65.89 1lr4 h PRO 200 Cb 1.21 -0.15 -0.13 0.00 0.11 0.00 0.00 31.00 32.04 1lr4 h PRO 200 CO 0.59 0.43 0.54 1.05 -0.21 0.00 0.00 178.00 180.40 1lr4 h GLU 201 N 0.67 0.47 0.01 1.05 9.09 -1.90 0.19 114.58 124.15 1lr4 h GLU 201 Ca 0.45 -0.03 -0.19 0.00 0.05 0.00 0.00 59.36 59.64 1lr4 h GLU 201 Cb 0.59 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 27.57 1lr4 h GLU 201 CO -0.33 0.31 -0.88 -0.07 0.05 0.00 0.00 179.01 178.09 1lr4 h LEU 202 N 0.48 0.14 0.00 3.06 3.38 -1.14 0.42 115.31 121.64 1lr4 h LEU 202 Ca 0.65 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1lr4 h LEU 202 Cb 1.29 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1lr4 h LEU 202 CO -0.52 0.95 -0.05 0.18 0.09 0.00 0.00 178.44 179.09 1lr4 n LEU 203 N -3.59 0.77 -0.48 1.67 4.77 0.40 -3.51 117.00 117.04 1lr4 n LEU 203 Ca -0.02 0.54 0.04 0.00 -0.03 0.00 0.00 56.01 56.54 1lr4 n LEU 203 Cb 0.82 -0.32 0.11 0.00 -2.33 0.00 0.00 43.42 41.70 1lr4 n LEU 203 CO 0.47 -0.16 0.57 1.33 -1.33 0.00 0.00 177.39 178.26 1lr4 n VAL 204 N -2.21 0.85 -2.77 4.08 0.24 0.25 -5.00 118.33 113.77 1lr4 n VAL 204 Ca 0.05 -0.93 -0.12 0.00 -2.04 0.00 0.00 64.34 61.31 1lr4 n VAL 204 Cb 0.43 0.60 0.02 0.00 -1.47 0.00 0.00 33.84 33.42 1lr4 n VAL 204 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1lr4 n ASP 205 N 0.32 -3.97 -4.46 -1.34 10.43 -0.92 -4.95 116.55 111.67 1lr4 n ASP 205 Ca 0.08 -0.18 -0.44 0.00 2.57 0.00 0.00 54.79 56.83 1lr4 n ASP 205 Cb 0.36 -2.77 -0.05 0.00 1.84 0.00 0.00 41.12 40.50 1lr4 n ASP 205 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1lr4 s LEU 206 N -3.79 4.77 0.22 0.64 0.20 0.09 -4.92 118.68 115.88 1lr4 s LEU 206 Ca 0.20 -0.84 0.21 0.00 0.69 0.00 0.00 54.13 54.38 1lr4 s LEU 206 Cb -0.09 -2.52 0.03 0.00 -0.43 0.00 0.00 46.19 43.18 1lr4 s LEU 206 CO 0.24 -1.03 1.12 1.56 -0.29 0.00 0.00 176.35 177.95 1lr4 h GLN 207 N 9.13 0.00 -2.56 1.98 4.20 -1.84 -3.37 115.11 122.65 1lr4 h GLN 207 Ca -0.27 0.00 -0.73 0.00 0.06 0.00 0.00 58.65 57.71 1lr4 h GLN 207 Cb 1.09 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.73 1lr4 h GLN 207 CO 1.02 0.11 2.22 -0.40 -0.67 0.00 0.00 178.83 181.11 1lr4 n ASP 208 N -2.84 7.92 -4.39 1.46 5.75 -1.26 -0.54 116.55 122.65 1lr4 n ASP 208 Ca -0.01 -3.18 -0.27 0.00 -0.01 0.00 0.00 54.79 51.32 1lr4 n ASP 208 Cb 0.63 -1.34 0.15 0.00 -1.03 0.00 0.00 41.12 39.53 1lr4 n ASP 208 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1lr4 s TYR 209 N -1.37 1.66 0.00 2.11 -0.85 -1.26 -4.58 117.35 113.07 1lr4 s TYR 209 Ca 0.54 0.09 0.00 0.00 -0.52 0.00 0.00 57.07 57.18 1lr4 s TYR 209 Cb 0.20 -3.62 0.00 0.00 0.38 0.00 0.00 41.96 38.91 1lr4 s TYR 209 CO -0.11 -2.22 0.00 -0.40 -1.52 0.00 0.00 175.55 171.31 1lr4 n ASP 210 N -3.36 0.00 0.03 -0.18 5.68 -1.26 -4.95 116.55 112.51 1lr4 n ASP 210 Ca 0.15 -0.37 0.22 0.00 -0.50 0.00 0.00 54.79 54.28 1lr4 n ASP 210 Cb 0.60 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 41.25 1lr4 n ASP 210 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 1lr4 h TYR 211 N 0.37 0.00 0.00 2.11 0.05 -1.94 -0.65 116.97 116.91 1lr4 h TYR 211 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1lr4 h TYR 211 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1lr4 h TYR 211 CO 0.00 0.00 -0.03 0.66 -1.05 0.00 0.00 178.16 177.74 1lr4 h SER 212 N 0.00 0.00 -0.62 3.88 4.64 -1.95 -2.65 113.55 116.85 1lr4 h SER 212 Ca 0.26 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.69 1lr4 h SER 212 Cb 1.54 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.55 1lr4 h SER 212 CO -0.00 0.03 0.20 0.25 -0.87 0.00 0.00 176.83 176.43 1lr4 h LEU 213 N 0.00 0.14 -2.29 5.97 5.85 -1.48 -1.55 115.31 121.96 1lr4 h LEU 213 Ca -0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1lr4 h LEU 213 Cb 0.12 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1lr4 h LEU 213 CO 0.00 0.08 -0.04 0.44 -0.34 0.00 0.00 178.44 178.59 1lr4 h ASP 214 N 0.35 0.00 0.70 1.25 3.32 -1.69 -2.02 116.42 118.33 1lr4 h ASP 214 Ca 0.32 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.15 1lr4 h ASP 214 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1lr4 h ASP 214 CO -0.36 0.04 -0.99 0.24 -1.72 0.00 0.00 179.24 176.45 1lr4 h MET 215 N 0.00 0.16 -0.02 3.56 2.86 -1.40 -0.23 114.93 119.86 1lr4 h MET 215 Ca -0.00 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1lr4 h MET 215 Cb 0.09 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1lr4 h MET 215 CO 0.00 1.03 0.01 2.35 1.06 0.00 0.00 176.91 181.36 1lr4 h TRP 216 N 0.07 0.03 -0.33 -0.22 2.91 -1.05 -0.80 115.95 116.56 1lr4 h TRP 216 Ca -0.06 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 59.98 1lr4 h TRP 216 Cb 1.68 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 30.29 1lr4 h TRP 216 CO 0.03 0.21 0.17 0.77 -1.03 0.00 0.00 178.44 178.59 1lr4 h SER 217 N -0.15 0.27 -0.61 2.65 0.02 -1.34 -1.29 113.55 113.09 1lr4 h SER 217 Ca 0.01 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1lr4 h SER 217 Cb 0.19 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 1lr4 h SER 217 CO -0.00 0.20 0.25 0.25 -1.14 0.00 0.00 176.83 176.38 1lr4 h LEU 218 N 0.36 0.27 -0.73 5.07 5.85 -0.96 -1.76 115.31 123.42 1lr4 h LEU 218 Ca 0.14 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.04 1lr4 h LEU 218 Cb 0.03 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 1lr4 h LEU 218 CO -0.08 0.17 0.33 1.23 -0.34 0.00 0.00 178.44 179.74 1lr4 h GLY 219 N 0.44 1.10 0.98 3.75 0.00 -0.50 0.14 103.07 108.99 1lr4 h GLY 219 Ca 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1lr4 h GLY 219 CO -0.28 -0.01 0.26 0.00 0.00 0.00 0.00 176.54 176.50 1lr4 h MET 221 N 0.61 -0.16 -0.16 0.00 2.07 -0.83 -1.69 114.93 114.77 1lr4 h MET 221 Ca 0.16 0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.84 1lr4 h MET 221 Cb 0.04 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.77 1lr4 h MET 221 CO -0.03 -0.10 -0.06 0.35 1.07 0.00 0.00 176.91 178.14 1lr4 h PHE 222 N -0.16 -0.13 -0.72 -0.22 3.57 -0.84 -1.32 116.94 117.11 1lr4 h PHE 222 Ca -0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.61 1lr4 h PHE 222 Cb 0.15 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1lr4 h PHE 222 CO -0.09 -0.10 0.36 0.00 -2.23 0.00 0.00 178.31 176.25 1lr4 h ALA 223 N 1.12 0.99 -0.82 2.41 0.00 -0.94 -1.50 119.26 120.51 1lr4 h ALA 223 Ca 0.08 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1lr4 h ALA 223 Cb 0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1lr4 h ALA 223 CO -0.18 -0.03 0.50 0.78 0.00 0.00 0.00 179.25 180.31 1lr4 h GLY 224 N 0.62 1.25 0.69 0.00 0.00 -0.91 -1.07 103.07 103.65 1lr4 h GLY 224 Ca 0.35 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1lr4 h GLY 224 CO -0.26 0.21 -0.43 -0.33 0.00 0.00 0.00 176.54 175.73 1lr4 h MET 225 N 0.89 0.34 0.00 4.80 2.07 -0.39 -0.94 114.93 121.70 1lr4 h MET 225 Ca 0.37 -0.33 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1lr4 h MET 225 Cb 0.22 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.04 1lr4 h MET 225 CO -0.19 1.00 0.00 -0.84 1.07 0.00 0.00 176.91 177.95 1lr4 h ILE 226 N -0.19 0.00 -0.01 -1.22 3.07 -1.31 -3.12 117.51 114.73 1lr4 h ILE 226 Ca -0.04 -0.82 0.00 0.00 1.55 0.00 0.00 64.86 65.55 1lr4 h ILE 226 Cb 1.12 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 39.48 1lr4 h ILE 226 CO 0.09 0.00 -0.64 0.49 -1.05 0.00 0.00 178.15 177.04 1lr4 n PHE 227 N -3.02 0.00 -3.81 0.16 3.72 -0.41 -4.54 117.46 109.56 1lr4 n PHE 227 Ca 0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.13 1lr4 n PHE 227 Cb 0.46 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.01 1lr4 n PHE 227 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1lr4 n ARG 228 N -0.83 -1.97 -3.40 -1.08 1.74 -0.40 -4.76 116.66 105.96 1lr4 n ARG 228 Ca 0.05 0.41 -0.27 0.00 -0.77 0.00 0.00 57.85 57.27 1lr4 n ARG 228 Cb 0.32 -4.16 -0.10 0.00 -1.02 0.00 0.00 32.46 27.50 1lr4 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1lr4 s LYS 229 N -6.30 0.91 -0.28 5.56 2.20 -0.94 -5.05 119.74 115.84 1lr4 s LYS 229 Ca 0.30 -2.10 -0.07 0.00 -0.36 0.00 0.00 55.97 53.74 1lr4 s LYS 229 Cb -0.11 -1.43 -0.00 0.00 -1.51 0.00 0.00 37.83 34.77 1lr4 s LYS 229 CO 0.88 -1.38 0.07 -2.00 -0.36 0.00 0.00 175.35 172.56 1lr4 s GLU 230 N 0.08 3.26 0.80 4.03 -6.30 -1.26 -0.90 118.70 118.41 1lr4 s GLU 230 Ca 0.32 -0.74 -0.10 0.00 -2.50 0.00 0.00 54.97 51.95 1lr4 s GLU 230 Cb 0.03 -3.34 0.10 0.00 0.00 0.00 0.00 34.13 30.93 1lr4 s GLU 230 CO -0.19 -0.36 1.14 -1.25 0.02 0.00 0.00 175.26 174.62 1lr4 s PRO 231 N 1.53 1.72 -0.09 4.30 0.04 -1.26 -5.11 135.00 136.14 1lr4 s PRO 231 Ca 0.04 -0.21 -0.26 0.00 0.04 0.00 0.00 61.00 60.60 1lr4 s PRO 231 Cb -0.16 -2.03 -0.25 0.00 0.04 0.00 0.00 34.50 32.10 1lr4 s PRO 231 CO 0.02 -1.65 0.92 0.35 0.04 0.00 0.00 177.00 176.68 1lr4 h PHE 232 N -1.00 0.15 -3.23 0.56 3.57 -1.27 -3.40 116.94 112.32 1lr4 h PHE 232 Ca -0.44 -0.09 -0.74 0.00 3.53 0.00 0.00 57.97 60.23 1lr4 h PHE 232 Cb 1.30 -0.01 -0.27 0.00 2.79 0.00 0.00 35.95 39.76 1lr4 h PHE 232 CO -0.05 0.97 -0.33 -0.06 -2.23 0.00 0.00 178.31 176.61 1lr4 s PHE 233 N -2.73 3.35 -1.08 0.41 0.08 -1.26 -5.02 117.98 111.73 1lr4 s PHE 233 Ca -0.17 -1.61 -0.10 0.00 0.12 0.00 0.00 56.93 55.17 1lr4 s PHE 233 Cb -0.01 -3.57 0.27 0.00 -0.57 0.00 0.00 43.02 39.15 1lr4 s PHE 233 CO 0.72 -0.99 1.07 -0.47 -0.10 0.00 0.00 175.22 175.45 1lr4 s TYR 234 N 1.46 4.20 0.17 0.36 5.04 -1.26 -4.64 117.35 122.68 1lr4 s TYR 234 Ca 0.05 -2.59 -0.04 0.00 -2.44 0.00 0.00 57.07 52.04 1lr4 s TYR 234 Cb -0.27 -3.84 -0.05 0.00 0.35 0.00 0.00 41.96 38.14 1lr4 s TYR 234 CO 0.01 -0.96 0.40 0.20 -1.34 0.00 0.00 175.55 173.86 1lr4 s GLY 235 N 1.45 2.13 -0.18 8.97 0.00 -1.26 -4.97 107.32 113.47 1lr4 s GLY 235 Ca 0.29 -0.59 -0.19 0.00 0.00 0.00 0.00 44.72 44.23 1lr4 s GLY 235 CO -0.08 -0.51 0.31 0.45 0.00 0.00 0.00 173.10 173.26 1lr4 h HIS 236 N 2.58 0.12 -2.15 1.90 -0.00 -1.96 -3.45 115.15 112.18 1lr4 h HIS 236 Ca -0.46 -0.09 -0.60 0.00 -0.00 0.00 0.00 60.37 59.22 1lr4 h HIS 236 Cb 1.17 -0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 28.45 1lr4 h HIS 236 CO 0.60 1.51 -0.50 0.16 -0.00 0.00 0.00 177.93 179.70 1lr4 s ASP 237 N -6.86 3.13 0.27 2.45 -4.77 -1.26 -5.00 116.67 104.62 1lr4 s ASP 237 Ca -0.26 -1.71 -0.00 0.00 -3.30 0.00 0.00 52.55 47.28 1lr4 s ASP 237 Cb 0.05 0.58 0.50 0.00 -1.09 0.00 0.00 42.92 42.97 1lr4 s ASP 237 CO 0.64 -0.96 1.83 0.78 0.70 0.00 0.00 175.17 178.17 1lr4 h ASN 238 N 1.66 0.89 -0.14 2.11 2.35 -1.98 -0.04 115.58 120.43 1lr4 h ASN 238 Ca -0.36 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1lr4 h ASN 238 Cb 1.28 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 1lr4 h ASN 238 CO 0.59 0.49 0.03 0.45 -1.65 0.00 0.00 177.43 177.33 1lr4 h HIS 239 N 0.97 0.24 -0.21 1.19 3.86 -1.96 -2.73 115.15 116.51 1lr4 h HIS 239 Ca 0.47 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.64 1lr4 h HIS 239 Cb 0.43 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1lr4 h HIS 239 CO -0.02 0.39 0.09 0.22 0.86 0.00 0.00 177.93 179.48 1lr4 h ASP 240 N 0.01 0.25 -0.54 2.45 3.58 -1.75 -2.52 116.42 117.91 1lr4 h ASP 240 Ca 0.04 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.50 1lr4 h ASP 240 Cb 0.28 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 1lr4 h ASP 240 CO 0.00 0.22 0.34 -0.61 -2.88 0.00 0.00 179.24 176.31 1lr4 h GLN 241 N 0.28 0.66 -0.72 0.28 5.75 -0.73 0.59 115.11 121.23 1lr4 h GLN 241 Ca 0.07 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1lr4 h GLN 241 Cb 0.04 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 1lr4 h GLN 241 CO -0.01 0.44 0.27 1.25 -2.65 0.00 0.00 178.83 178.13 1lr4 h LEU 242 N 0.68 1.01 -0.71 -2.39 5.85 -1.32 -1.97 115.31 116.46 1lr4 h LEU 242 Ca 0.21 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1lr4 h LEU 242 Cb -0.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1lr4 h LEU 242 CO -0.07 0.92 0.40 0.58 -0.34 0.00 0.00 178.44 179.92 1lr4 h VAL 243 N 1.04 1.21 -0.61 1.05 2.07 -1.09 -1.04 116.25 118.89 1lr4 h VAL 243 Ca 0.24 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1lr4 h VAL 243 Cb 0.24 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1lr4 h VAL 243 CO -0.02 0.23 0.18 0.11 0.02 0.00 0.00 177.57 178.09 1lr4 h LYS 244 N 0.97 0.93 -0.07 1.57 1.79 -0.39 -0.90 116.57 120.47 1lr4 h LYS 244 Ca 0.25 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1lr4 h LYS 244 Cb 0.02 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1lr4 h LYS 244 CO -0.04 0.81 0.00 0.82 -1.08 0.00 0.00 179.45 179.96 1lr4 h ILE 245 N 0.90 1.25 -0.39 1.86 2.04 -1.14 -3.21 117.51 118.82 1lr4 h ILE 245 Ca 0.20 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1lr4 h ILE 245 Cb 0.28 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1lr4 h ILE 245 CO -0.01 0.21 0.18 0.00 0.00 0.00 0.00 178.15 178.54 1lr4 h ALA 246 N 0.73 1.58 0.00 1.87 0.00 -0.82 0.14 119.26 122.76 1lr4 h ALA 246 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1lr4 h ALA 246 Cb 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1lr4 h ALA 246 CO 0.00 0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.22 1lr4 n LYS 247 N -4.40 0.12 -0.06 0.00 5.02 -0.37 -0.87 118.16 117.58 1lr4 n LYS 247 Ca 0.03 0.39 -0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1lr4 n LYS 247 Cb 0.12 -1.74 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 1lr4 n LYS 247 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1lr4 n VAL 248 N -1.97 1.24 0.27 -0.18 0.31 -0.03 -4.56 118.33 113.42 1lr4 n VAL 248 Ca 0.02 0.03 0.15 0.00 -0.01 0.00 0.00 64.34 64.53 1lr4 n VAL 248 Cb 0.18 -1.95 0.47 0.00 -0.91 0.00 0.00 33.84 31.63 1lr4 n VAL 248 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1lr4 h LEU 249 N -0.66 0.00 0.00 7.52 3.38 -0.90 -0.36 115.31 124.29 1lr4 h LEU 249 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1lr4 h LEU 249 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1lr4 h LEU 249 CO -0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.03 1lr4 n GLY 250 N 0.49 0.55 0.15 0.83 0.00 -0.05 -4.49 105.19 102.67 1lr4 n GLY 250 Ca 0.02 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.44 1lr4 n GLY 250 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1lr4 h THR 251 N 0.00 0.26 -0.22 2.61 1.35 -1.30 -3.32 112.91 112.30 1lr4 h THR 251 Ca 0.00 -1.42 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 1lr4 h THR 251 Cb 0.00 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1lr4 h THR 251 CO 0.00 0.15 0.10 0.44 -0.25 0.00 0.00 175.52 175.96 1lr4 h ASP 252 N 0.00 0.28 0.23 5.36 3.45 -1.89 -1.95 116.42 121.90 1lr4 h ASP 252 Ca -0.03 -0.12 -0.06 0.00 0.43 0.00 0.00 57.03 57.25 1lr4 h ASP 252 Cb 1.18 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 1lr4 h ASP 252 CO 0.02 0.33 -0.25 1.23 -1.57 0.00 0.00 179.24 179.00 1lr4 h GLY 253 N 0.22 0.04 0.83 2.75 0.00 -1.85 -1.76 103.07 103.30 1lr4 h GLY 253 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1lr4 h GLY 253 CO -0.01 0.02 -0.06 -2.00 0.00 0.00 0.00 176.54 174.50 1lr4 h LEU 254 N 0.03 0.45 -1.08 3.11 5.85 -1.58 -1.83 115.31 120.27 1lr4 h LEU 254 Ca 0.00 -0.37 -0.10 0.00 0.84 0.00 0.00 57.88 58.26 1lr4 h LEU 254 Cb 0.46 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1lr4 h LEU 254 CO 0.03 0.71 -0.46 0.78 -0.34 0.00 0.00 178.44 179.17 1lr4 h ASN 255 N 0.18 0.00 -0.54 1.25 2.35 -1.01 -0.05 115.58 117.76 1lr4 h ASN 255 Ca 0.06 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 1lr4 h ASN 255 Cb 0.52 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1lr4 h ASN 255 CO 0.02 0.46 -0.05 0.58 -1.65 0.00 0.00 177.43 176.79 1lr4 h VAL 256 N 0.00 1.26 -0.08 2.81 2.07 -1.23 -2.58 116.25 118.51 1lr4 h VAL 256 Ca -0.00 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1lr4 h VAL 256 Cb 0.82 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1lr4 h VAL 256 CO 0.06 0.43 0.01 0.22 0.02 0.00 0.00 177.57 178.30 1lr4 h TYR 257 N 0.92 0.14 -0.94 1.57 3.20 -0.40 -2.10 116.97 119.36 1lr4 h TYR 257 Ca 0.15 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1lr4 h TYR 257 Cb 0.60 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 1lr4 h TYR 257 CO 0.04 0.36 0.62 -0.07 -1.64 0.00 0.00 178.16 177.48 1lr4 h LEU 258 N -0.12 1.06 -0.25 2.82 3.38 -1.01 -2.16 115.31 119.03 1lr4 h LEU 258 Ca 0.02 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1lr4 h LEU 258 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1lr4 h LEU 258 CO 0.00 0.76 -0.89 0.78 0.09 0.00 0.00 178.44 179.18 1lr4 h ASN 259 N 1.25 0.37 -0.76 -0.43 2.35 -1.45 0.32 115.58 117.23 1lr4 h ASN 259 Ca 0.35 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1lr4 h ASN 259 Cb -0.10 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 1lr4 h ASN 259 CO -0.09 1.09 0.45 0.50 -1.65 0.00 0.00 177.43 177.73 1lr4 h LYS 260 N 0.16 1.03 -0.52 0.81 3.64 -1.09 -2.67 116.57 117.93 1lr4 h LYS 260 Ca -0.06 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1lr4 h LYS 260 Cb 1.52 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1lr4 h LYS 260 CO 0.14 0.74 0.00 0.66 -2.27 0.00 0.00 179.45 178.72 1lr4 n TYR 261 N -4.49 0.68 -3.40 1.91 4.01 -0.84 -4.97 117.16 110.06 1lr4 n TYR 261 Ca 0.07 -0.35 -0.17 0.00 -0.16 0.00 0.00 57.90 57.28 1lr4 n TYR 261 Cb 0.06 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.17 1lr4 n TYR 261 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1lr4 n ARG 262 N 1.52 -4.57 -4.71 -0.72 1.74 0.83 -4.99 116.66 105.75 1lr4 n ARG 262 Ca 0.21 0.82 -0.33 0.00 -0.77 0.00 0.00 57.85 57.77 1lr4 n ARG 262 Cb 0.61 -5.71 -0.13 0.00 -1.02 0.00 0.00 32.46 26.21 1lr4 n ARG 262 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1lr4 s ILE 263 N -3.41 3.33 -0.24 0.55 1.09 0.49 -5.02 121.20 117.99 1lr4 s ILE 263 Ca 0.19 -0.59 -0.08 0.00 -1.10 0.00 0.00 60.65 59.08 1lr4 s ILE 263 Cb -0.03 -2.38 -0.03 0.00 -1.06 0.00 0.00 42.46 38.96 1lr4 s ILE 263 CO 0.75 0.55 0.08 -1.61 -0.10 0.00 0.00 174.94 174.61 1lr4 s GLU 264 N -0.17 3.75 0.39 2.79 2.02 -1.26 -4.64 118.70 121.59 1lr4 s GLU 264 Ca 0.01 -0.43 -0.25 0.00 0.02 0.00 0.00 54.97 54.32 1lr4 s GLU 264 Cb -0.13 -3.33 -0.09 0.00 0.10 0.00 0.00 34.13 30.68 1lr4 s GLU 264 CO 0.03 -0.09 1.10 -0.51 0.02 0.00 0.00 175.26 175.82 1lr4 s LEU 265 N 1.35 4.18 0.25 1.80 1.43 -1.26 -4.99 118.68 121.44 1lr4 s LEU 265 Ca 0.05 2.18 -0.30 0.00 -1.03 0.00 0.00 54.13 55.04 1lr4 s LEU 265 Cb -0.15 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 41.89 1lr4 s LEU 265 CO 0.04 -0.56 1.29 -0.62 0.23 0.00 0.00 176.35 176.73 1lr4 s ASP 266 N -1.35 6.89 0.27 2.29 2.15 -1.26 -4.73 116.67 120.93 1lr4 s ASP 266 Ca 0.57 2.49 -0.03 0.00 0.43 0.00 0.00 52.55 56.00 1lr4 s ASP 266 Cb -0.26 -2.62 0.57 0.00 -0.30 0.00 0.00 42.92 40.30 1lr4 s ASP 266 CO 0.33 -0.50 1.61 -0.65 -0.17 0.00 0.00 175.17 175.79 1lr4 h PRO 267 N 4.61 0.07 -0.11 4.34 0.11 -1.98 0.25 132.00 139.28 1lr4 h PRO 267 Ca -0.46 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1lr4 h PRO 267 Cb 1.22 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1lr4 h PRO 267 CO 0.73 0.05 -0.03 0.37 -0.21 0.00 0.00 178.00 178.91 1lr4 h GLN 268 N 0.08 -0.00 -0.11 1.05 4.15 -1.99 -1.31 115.11 116.97 1lr4 h GLN 268 Ca 0.49 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.91 1lr4 h GLN 268 Cb 0.93 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1lr4 h GLN 268 CO -0.78 -0.00 0.07 1.25 -1.93 0.00 0.00 178.83 177.44 1lr4 h LEU 269 N -0.00 0.13 -0.87 -2.39 5.85 -1.02 -0.38 115.31 116.63 1lr4 h LEU 269 Ca 0.06 -0.04 0.17 0.00 0.84 0.00 0.00 57.88 58.91 1lr4 h LEU 269 Cb 0.09 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 40.98 1lr4 h LEU 269 CO -0.12 0.13 0.43 -0.08 -0.34 0.00 0.00 178.44 178.46 1lr4 h GLU 270 N 0.13 0.54 -0.22 1.25 4.81 -0.47 0.15 114.58 120.77 1lr4 h GLU 270 Ca 0.04 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 1lr4 h GLU 270 Cb 0.02 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1lr4 h GLU 270 CO -0.01 0.36 -0.55 0.00 -0.73 0.00 0.00 179.01 178.08 1lr4 h ALA 271 N 1.61 0.61 -0.33 2.92 0.00 -0.60 -2.41 119.26 121.06 1lr4 h ALA 271 Ca 0.50 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1lr4 h ALA 271 Cb 0.79 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1lr4 h ALA 271 CO -0.41 0.69 0.17 -0.07 0.00 0.00 0.00 179.25 179.63 1lr4 h LEU 272 N 0.52 0.42 -0.08 0.00 -0.00 0.78 -3.11 115.31 113.84 1lr4 h LEU 272 Ca 0.01 -0.10 0.02 0.00 -0.00 0.00 0.00 57.88 57.81 1lr4 h LEU 272 Cb 1.12 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 1lr4 h LEU 272 CO 0.11 0.40 -0.04 0.58 -0.00 0.00 0.00 178.44 179.49 1lr4 h VAL 273 N 0.40 0.87 0.00 1.22 2.07 -0.67 -3.48 116.25 116.67 1lr4 h VAL 273 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1lr4 h VAL 273 Cb 0.08 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1lr4 h VAL 273 CO -0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.18 1lr4 n GLY 274 N -1.16 0.57 3.16 2.17 0.00 -0.92 -4.77 105.19 104.24 1lr4 n GLY 274 Ca -0.05 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 1lr4 n GLY 274 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lr4 s ARG 275 N 0.00 1.76 -0.16 1.61 1.81 -1.26 -4.96 118.95 117.75 1lr4 s ARG 275 Ca 0.00 -0.66 -0.16 0.00 -1.72 0.00 0.00 55.73 53.20 1lr4 s ARG 275 Cb 0.00 -1.58 0.04 0.00 -0.45 0.00 0.00 34.95 32.96 1lr4 s ARG 275 CO 0.00 0.31 0.45 -1.01 -0.68 0.00 0.00 175.30 174.37 1lr4 s HIS 276 N -0.14 -0.48 0.44 -0.53 3.76 -1.26 -4.99 115.29 112.08 1lr4 s HIS 276 Ca 0.00 1.17 -0.15 0.00 -0.15 0.00 0.00 55.06 55.94 1lr4 s HIS 276 Cb -0.10 0.17 -0.08 0.00 1.11 0.00 0.00 32.58 33.68 1lr4 s HIS 276 CO 0.01 -0.25 0.87 -1.54 -0.85 0.00 0.00 174.74 172.99 1lr4 s SER 277 N 0.16 6.63 0.25 1.40 1.04 -1.26 -1.20 113.70 120.73 1lr4 s SER 277 Ca -0.01 1.39 -0.30 0.00 0.48 0.00 0.00 55.95 57.51 1lr4 s SER 277 Cb -0.03 -2.43 -0.10 0.00 0.10 0.00 0.00 66.02 63.56 1lr4 s SER 277 CO 0.01 -0.45 1.38 -0.60 0.98 0.00 0.00 173.24 174.55 1lr4 s ARG 278 N -3.78 4.32 -0.30 4.02 3.52 -1.26 -4.36 118.95 121.11 1lr4 s ARG 278 Ca 0.56 2.22 -0.11 0.00 -0.13 0.00 0.00 55.73 58.27 1lr4 s ARG 278 Cb -0.10 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1lr4 s ARG 278 CO 0.28 -0.33 0.18 0.15 -0.81 0.00 0.00 175.30 174.77 1lr4 s LYS 279 N -0.61 3.61 0.29 5.12 -0.14 -0.15 -4.95 119.74 122.91 1lr4 s LYS 279 Ca 0.56 -0.55 -0.29 0.00 -1.36 0.00 0.00 55.97 54.34 1lr4 s LYS 279 Cb -0.40 -3.62 -0.13 0.00 -1.68 0.00 0.00 37.83 31.99 1lr4 s LYS 279 CO 0.44 -0.32 1.19 -2.30 -0.76 0.00 0.00 175.35 173.60 1lr4 n PRO 280 N 5.03 1.73 0.19 -1.68 -0.02 -1.26 -4.85 135.00 134.14 1lr4 n PRO 280 Ca -0.14 0.61 0.14 0.00 -2.02 0.00 0.00 63.50 62.09 1lr4 n PRO 280 Cb 0.50 -2.11 0.74 0.00 -0.02 0.00 0.00 33.50 32.62 1lr4 n PRO 280 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1lr4 h TRP 281 N 2.65 0.00 0.00 6.00 4.06 -1.97 -1.67 115.95 125.02 1lr4 h TRP 281 Ca -0.43 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.50 1lr4 h TRP 281 Cb 1.31 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.47 1lr4 h TRP 281 CO 0.51 0.00 -0.11 -0.07 -3.56 0.00 0.00 178.44 175.21 1lr4 h LEU 282 N 0.00 0.00 -1.48 -4.49 3.38 -2.00 -2.79 115.31 107.93 1lr4 h LEU 282 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1lr4 h LEU 282 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1lr4 h LEU 282 CO -0.00 0.11 0.00 0.11 0.09 0.00 0.00 178.44 178.75 1lr4 h LYS 283 N 0.00 0.00 -0.17 1.13 1.57 -1.66 -0.67 116.57 116.78 1lr4 h LYS 283 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lr4 h LYS 283 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1lr4 h LYS 283 CO 0.01 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.08 1lr4 n PHE 284 N -2.50 0.21 -2.51 -1.35 3.72 -1.05 -4.91 117.46 109.07 1lr4 n PHE 284 Ca -0.00 -0.11 -0.40 0.00 -0.05 0.00 0.00 57.45 56.89 1lr4 n PHE 284 Cb 0.14 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 1lr4 n PHE 284 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1lr4 s MET 285 N -1.79 4.66 0.23 -1.08 1.75 -0.26 -4.98 119.30 117.83 1lr4 s MET 285 Ca 0.33 1.77 -0.22 0.00 -1.25 0.00 0.00 55.69 56.32 1lr4 s MET 285 Cb 0.18 -3.20 0.04 0.00 2.84 0.00 0.00 34.83 34.69 1lr4 s MET 285 CO 0.27 0.23 0.70 0.54 -0.65 0.00 0.00 175.02 176.11 1lr4 s ASN 286 N -0.85 -0.36 0.56 1.11 2.20 -1.26 -5.03 114.94 111.31 1lr4 s ASN 286 Ca 0.44 -0.38 0.31 0.00 -0.94 0.00 0.00 52.86 52.29 1lr4 s ASN 286 Cb -0.31 0.67 1.46 0.00 -2.00 0.00 0.00 41.25 41.06 1lr4 s ASN 286 CO 0.40 -1.18 1.85 0.00 -2.94 0.00 0.00 177.10 175.23 1lr4 h ALA 287 N 2.00 2.62 0.00 3.54 0.00 -2.00 0.16 119.26 125.58 1lr4 h ALA 287 Ca -0.24 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1lr4 h ALA 287 Cb 1.27 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1lr4 h ALA 287 CO 0.28 -1.02 -0.65 0.22 0.00 0.00 0.00 179.25 178.08 1lr4 h ASP 288 N 0.00 0.00 0.00 0.00 1.82 -1.97 -3.39 116.42 112.89 1lr4 h ASP 288 Ca 0.36 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.90 1lr4 h ASP 288 Cb 1.62 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.61 1lr4 h ASP 288 CO -0.00 0.42 -1.75 -0.46 -1.61 0.00 0.00 179.24 175.84 1lr4 n ASN 289 N -3.11 1.78 -0.18 2.28 0.23 0.42 -4.71 115.26 111.97 1lr4 n ASN 289 Ca -0.00 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.15 1lr4 n ASN 289 Cb 0.72 1.31 0.19 0.00 -2.08 0.00 0.00 39.78 39.92 1lr4 n ASN 289 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1lr4 n GLN 290 N -2.19 -0.04 0.17 -3.83 7.27 -0.32 0.21 117.38 118.65 1lr4 n GLN 290 Ca -0.10 0.76 0.13 0.00 0.07 0.00 0.00 57.00 57.86 1lr4 n GLN 290 Cb 0.59 -1.25 0.59 0.00 2.41 0.00 0.00 30.24 32.59 1lr4 n GLN 290 CO 0.00 0.00 0.00 1.12 0.07 0.00 0.00 177.06 178.25 1lr4 h HIS 291 N 0.00 0.00 -0.02 3.69 2.07 -1.87 -2.92 115.15 116.10 1lr4 h HIS 291 Ca 0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.87 1lr4 h HIS 291 Cb 0.78 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.76 1lr4 h HIS 291 CO -0.20 0.00 -0.36 1.28 -3.07 0.00 0.00 177.93 175.58 1lr4 n LEU 292 N -2.38 2.09 -3.33 6.12 4.77 0.56 -4.70 117.00 120.14 1lr4 n LEU 292 Ca 0.00 -0.75 -0.36 0.00 -0.03 0.00 0.00 56.01 54.88 1lr4 n LEU 292 Cb 0.16 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1lr4 n LEU 292 CO 0.17 0.38 0.98 0.52 -1.33 0.00 0.00 177.39 178.10 1lr4 n VAL 293 N 0.16 4.85 -1.03 4.08 0.31 -1.10 -4.90 118.33 120.69 1lr4 n VAL 293 Ca 0.11 -5.72 -0.31 0.00 -0.01 0.00 0.00 64.34 58.40 1lr4 n VAL 293 Cb 0.48 -1.47 0.12 0.00 -0.91 0.00 0.00 33.84 32.06 1lr4 n VAL 293 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1lr4 s SER 294 N -2.11 3.83 0.53 4.52 1.04 -1.26 -4.83 113.70 115.42 1lr4 s SER 294 Ca 0.43 2.00 0.22 0.00 0.48 0.00 0.00 55.95 59.08 1lr4 s SER 294 Cb 0.24 -2.54 1.38 0.00 0.10 0.00 0.00 66.02 65.20 1lr4 s SER 294 CO -0.15 -2.49 2.08 -0.65 0.98 0.00 0.00 173.24 173.01 1lr4 h PRO 295 N -1.41 0.00 -0.03 4.02 0.11 -1.99 -1.15 132.00 131.55 1lr4 h PRO 295 Ca -0.43 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.48 1lr4 h PRO 295 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1lr4 h PRO 295 CO 0.47 0.00 -0.82 0.93 -0.21 0.00 0.00 178.00 178.37 1lr4 h GLU 296 N 0.00 0.30 -0.64 1.05 4.39 -1.99 -1.13 114.58 116.56 1lr4 h GLU 296 Ca 0.12 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1lr4 h GLU 296 Cb 0.48 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1lr4 h GLU 296 CO -0.00 0.97 0.36 0.00 -1.16 0.00 0.00 179.01 179.18 1lr4 h ALA 297 N 0.94 0.82 -0.25 3.43 0.00 -1.57 -2.21 119.26 120.42 1lr4 h ALA 297 Ca -0.04 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1lr4 h ALA 297 Cb 1.42 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1lr4 h ALA 297 CO 0.13 0.33 -0.50 0.82 0.00 0.00 0.00 179.25 180.03 1lr4 h ILE 298 N 0.88 1.29 -0.50 0.00 1.08 -1.29 -1.62 117.51 117.34 1lr4 h ILE 298 Ca 0.23 -1.70 0.03 0.00 -0.39 0.00 0.00 64.86 63.02 1lr4 h ILE 298 Cb 0.02 1.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.48 1lr4 h ILE 298 CO -0.04 0.55 0.29 -0.78 -0.69 0.00 0.00 178.15 177.48 1lr4 h ASP 299 N 0.52 0.47 -0.18 1.72 3.58 -1.11 -0.21 116.42 121.21 1lr4 h ASP 299 Ca 0.01 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1lr4 h ASP 299 Cb 1.11 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 1lr4 h ASP 299 CO 0.11 0.33 0.10 0.15 -2.88 0.00 0.00 179.24 177.06 1lr4 h PHE 300 N 0.58 0.24 -0.63 0.28 3.57 -1.35 -2.73 116.94 116.90 1lr4 h PHE 300 Ca 0.21 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1lr4 h PHE 300 Cb 0.04 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1lr4 h PHE 300 CO -0.07 0.21 0.40 1.25 -2.23 0.00 0.00 178.31 177.88 1lr4 h LEU 301 N 0.20 0.68 -2.03 0.59 5.85 -1.02 -1.68 115.31 117.91 1lr4 h LEU 301 Ca 0.06 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1lr4 h LEU 301 Cb 0.05 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1lr4 h LEU 301 CO -0.01 0.48 0.06 -0.78 -0.34 0.00 0.00 178.44 177.85 1lr4 h ASP 302 N 0.81 0.00 0.40 1.25 3.58 -0.88 -0.89 116.42 120.70 1lr4 h ASP 302 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1lr4 h ASP 302 Cb -0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1lr4 h ASP 302 CO -0.08 0.00 -0.16 0.29 -2.88 0.00 0.00 179.24 176.41 1lr4 n LYS 303 N -4.47 0.60 -0.14 0.28 5.02 -0.65 -3.97 118.16 114.83 1lr4 n LYS 303 Ca -0.01 -0.23 -0.27 0.00 -2.02 0.00 0.00 58.31 55.77 1lr4 n LYS 303 Cb 0.17 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.58 1lr4 n LYS 303 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1lr4 n LEU 304 N -1.00 2.20 -4.36 -0.35 4.77 -0.49 -1.65 117.00 116.12 1lr4 n LEU 304 Ca 0.13 0.23 -0.44 0.00 -0.03 0.00 0.00 56.01 55.90 1lr4 n LEU 304 Cb 0.30 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1lr4 n LEU 304 CO 0.25 0.67 1.52 0.18 -1.33 0.00 0.00 177.39 178.68 1lr4 n LEU 305 N -4.01 5.47 -4.27 2.23 4.77 -0.46 -4.57 117.00 116.17 1lr4 n LEU 305 Ca -0.53 -4.48 -0.28 0.00 -0.03 0.00 0.00 56.01 50.69 1lr4 n LEU 305 Cb 0.91 -1.60 -0.15 0.00 -2.33 0.00 0.00 43.42 40.25 1lr4 n LEU 305 CO 0.09 0.83 -0.54 -0.13 -1.33 0.00 0.00 177.39 176.30 1lr4 s ARG 306 N 1.42 1.78 0.11 3.23 1.81 -1.26 -4.93 118.95 121.11 1lr4 s ARG 306 Ca 0.43 -0.87 -0.22 0.00 -1.72 0.00 0.00 55.73 53.34 1lr4 s ARG 306 Cb -0.00 -1.77 -0.07 0.00 -0.45 0.00 0.00 34.95 32.65 1lr4 s ARG 306 CO 0.00 0.48 1.70 1.88 -0.68 0.00 0.00 175.30 178.69 1lr4 h TYR 307 N 5.37 -0.18 -3.06 -0.53 0.05 -1.92 -3.40 116.97 113.31 1lr4 h TYR 307 Ca -0.42 0.01 -0.57 0.00 0.05 0.00 0.00 58.73 57.81 1lr4 h TYR 307 Cb 1.14 0.09 -0.05 0.00 1.01 0.00 0.00 36.73 38.92 1lr4 h TYR 307 CO 0.42 -0.11 0.94 0.34 -1.05 0.00 0.00 178.16 178.70 1lr4 s ASP 308 N -5.12 6.78 0.44 3.88 -1.08 -1.26 -4.71 116.67 115.59 1lr4 s ASP 308 Ca -0.14 1.38 0.18 0.00 -0.52 0.00 0.00 52.55 53.46 1lr4 s ASP 308 Cb 0.09 -2.54 1.02 0.00 -1.46 0.00 0.00 42.92 40.03 1lr4 s ASP 308 CO 0.67 -0.96 1.94 1.12 0.52 0.00 0.00 175.17 178.47 1lr4 h HIS 309 N 8.86 0.00 0.00 -5.34 2.07 -1.96 -1.11 115.15 117.67 1lr4 h HIS 309 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 1lr4 h HIS 309 Cb 1.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.08 1lr4 h HIS 309 CO 0.85 0.24 0.00 1.96 -3.07 0.00 0.00 177.93 177.91 1lr4 h GLN 310 N 0.00 0.00 0.00 5.12 4.20 -1.95 -2.98 115.11 119.50 1lr4 h GLN 310 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1lr4 h GLN 310 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1lr4 h GLN 310 CO 0.03 0.00 -0.81 0.39 -0.67 0.00 0.00 178.83 177.77 1lr4 n GLU 311 N -2.96 0.23 -1.86 1.46 1.02 -0.42 -4.97 120.64 113.14 1lr4 n GLU 311 Ca 0.01 0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 1lr4 n GLU 311 Cb 0.29 -1.60 0.05 0.00 -0.02 0.00 0.00 31.44 30.15 1lr4 n GLU 311 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1lr4 s ARG 312 N -3.15 2.79 0.52 3.49 0.52 -1.13 -4.96 118.95 117.03 1lr4 s ARG 312 Ca 0.06 1.73 -0.22 0.00 -0.52 0.00 0.00 55.73 56.78 1lr4 s ARG 312 Cb 0.15 -1.92 -0.06 0.00 0.52 0.00 0.00 34.95 33.64 1lr4 s ARG 312 CO 0.76 -1.33 1.24 -0.51 0.02 0.00 0.00 175.30 175.48 1lr4 s LEU 313 N -4.41 3.88 0.45 2.53 1.43 -0.66 -5.00 118.68 116.90 1lr4 s LEU 313 Ca 0.75 2.47 -0.08 0.00 -1.03 0.00 0.00 54.13 56.25 1lr4 s LEU 313 Cb -0.28 -4.34 -0.05 0.00 0.03 0.00 0.00 46.19 41.55 1lr4 s LEU 313 CO 0.37 -1.29 0.78 0.42 0.23 0.00 0.00 176.35 176.86 1lr4 s THR 314 N -1.48 4.86 0.27 5.49 -4.23 -1.26 -4.88 115.64 114.41 1lr4 s THR 314 Ca 0.69 0.39 -0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1lr4 s THR 314 Cb -0.33 -3.81 0.26 0.00 1.34 0.00 0.00 72.50 69.96 1lr4 s THR 314 CO 0.38 -0.71 1.79 0.00 -0.54 0.00 0.00 174.62 175.55 1lr4 h ALA 315 N 0.67 1.38 -0.56 3.99 0.00 -1.94 0.81 119.26 123.61 1lr4 h ALA 315 Ca -0.47 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1lr4 h ALA 315 Cb 1.20 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1lr4 h ALA 315 CO 0.63 0.04 0.34 1.25 0.00 0.00 0.00 179.25 181.50 1lr4 h LEU 316 N 0.78 0.55 -0.17 0.00 5.85 -1.94 -2.64 115.31 117.74 1lr4 h LEU 316 Ca 0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.19 1lr4 h LEU 316 Cb 0.59 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1lr4 h LEU 316 CO -0.32 0.38 0.05 -0.33 -0.34 0.00 0.00 178.44 177.88 1lr4 h GLU 317 N 0.67 0.26 -0.86 1.25 5.08 -1.72 -3.05 114.58 116.22 1lr4 h GLU 317 Ca 0.23 -0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.73 1lr4 h GLU 317 Cb 0.02 -0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.12 1lr4 h GLU 317 CO -0.10 0.39 0.33 0.00 -1.00 0.00 0.00 179.01 178.63 1lr4 h ALA 318 N 0.86 1.30 0.00 3.43 0.00 -0.81 -1.11 119.26 122.93 1lr4 h ALA 318 Ca 0.05 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1lr4 h ALA 318 Cb 0.24 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1lr4 h ALA 318 CO -0.00 -0.34 -0.03 0.52 0.00 0.00 0.00 179.25 179.40 1lr4 h MET 319 N 0.36 0.00 -0.19 0.00 2.86 -1.36 -2.12 114.93 114.49 1lr4 h MET 319 Ca 0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 1lr4 h MET 319 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1lr4 h MET 319 CO -0.53 0.03 0.00 0.25 1.06 0.00 0.00 176.91 177.72 1lr4 n THR 320 N -3.21 0.22 -1.92 2.22 -2.24 -0.43 -4.82 114.28 104.09 1lr4 n THR 320 Ca -0.01 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 60.75 1lr4 n THR 320 Cb 0.21 1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 1lr4 n THR 320 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1lr4 s HIS 321 N -1.78 2.76 0.58 4.78 2.46 -0.80 -4.88 115.29 118.41 1lr4 s HIS 321 Ca 0.33 1.27 0.28 0.00 0.47 0.00 0.00 55.06 57.41 1lr4 s HIS 321 Cb 0.21 -3.89 1.52 0.00 -0.13 0.00 0.00 32.58 30.30 1lr4 s HIS 321 CO 0.31 -2.55 1.98 -1.35 -2.47 0.00 0.00 174.74 170.66 1lr4 h PRO 322 N 3.14 0.00 -0.81 2.88 0.11 -1.92 -0.41 132.00 134.99 1lr4 h PRO 322 Ca -0.50 0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.82 1lr4 h PRO 322 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 1lr4 h PRO 322 CO 0.65 0.00 0.57 -0.92 -0.21 0.00 0.00 178.00 178.08 1lr4 h TYR 323 N 0.00 0.20 -0.43 0.65 3.20 -1.90 -1.10 116.97 117.60 1lr4 h TYR 323 Ca 0.18 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1lr4 h TYR 323 Cb 0.93 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1lr4 h TYR 323 CO 0.00 0.06 0.00 1.19 -1.64 0.00 0.00 178.16 177.77 1lr4 n PHE 324 N -4.38 0.73 0.14 -3.82 3.72 -0.16 -4.65 117.46 109.04 1lr4 n PHE 324 Ca 0.17 -0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1lr4 n PHE 324 Cb 0.78 -0.07 0.29 0.00 -0.94 0.00 0.00 39.48 39.54 1lr4 n PHE 324 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1lr4 h GLN 325 N 2.58 0.11 -0.30 -1.08 3.07 -1.35 -0.99 115.11 117.16 1lr4 h GLN 325 Ca 0.00 -0.05 -0.16 0.00 0.09 0.00 0.00 58.65 58.53 1lr4 h GLN 325 Cb 0.76 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.31 1lr4 h GLN 325 CO 0.06 0.50 -0.46 0.37 0.09 0.00 0.00 178.83 179.39 1lr4 h GLN 326 N 0.10 0.79 -0.75 0.06 4.15 -1.83 0.19 115.11 117.81 1lr4 h GLN 326 Ca 0.01 -0.45 -0.06 0.00 0.77 0.00 0.00 58.65 58.93 1lr4 h GLN 326 Cb 0.75 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 1lr4 h GLN 326 CO 0.06 1.08 0.25 0.28 -1.93 0.00 0.00 178.83 178.57 1lr4 h VAL 327 N 0.63 1.26 0.28 2.39 2.07 -1.71 0.89 116.25 122.05 1lr4 h VAL 327 Ca 0.04 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1lr4 h VAL 327 Cb 1.03 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1lr4 h VAL 327 CO 0.10 0.35 -0.13 0.03 0.02 0.00 0.00 177.57 177.94 1lr4 h ARG 328 N 1.11 -0.36 -0.73 1.57 3.08 -0.82 -1.98 114.38 116.25 1lr4 h ARG 328 Ca 0.25 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.47 1lr4 h ARG 328 Cb 0.28 0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.32 1lr4 h ARG 328 CO -0.01 -0.08 0.23 0.00 -1.07 0.00 0.00 179.97 179.04 1lr4 h ALA 329 N 0.01 0.99 -0.95 0.04 0.00 -0.44 0.13 119.26 119.03 1lr4 h ALA 329 Ca -0.04 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1lr4 h ALA 329 Cb 0.45 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1lr4 h ALA 329 CO 0.06 -0.28 0.63 0.00 0.00 0.00 0.00 179.25 179.66 1lr4 h ALA 330 N 1.57 1.37 -0.06 0.00 0.00 -0.69 -2.26 119.26 119.19 1lr4 h ALA 330 Ca 0.41 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 1lr4 h ALA 330 Cb 0.66 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1lr4 h ALA 330 CO -0.45 0.56 -0.50 1.49 0.00 0.00 0.00 179.25 180.34 1lr4 h GLU 331 N 1.23 0.16 0.00 0.00 4.81 0.00 -2.93 114.58 117.84 1lr4 h GLU 331 Ca 0.37 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1lr4 h GLU 331 Cb -0.04 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1lr4 h GLU 331 CO -0.10 0.62 0.00 0.09 -0.73 0.00 0.00 179.01 178.89 1lr4 n ASN 332 N -3.95 0.00 0.00 1.04 5.03 -0.65 -5.11 115.26 111.62 1lr4 n ASN 332 Ca -0.02 -0.91 0.00 0.00 0.87 0.00 0.00 54.58 54.52 1lr4 n ASN 332 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 1lr4 n ASN 332 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23