#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx4 h SER 30 N 0.00 0.92 -5.68 4.37 0.02 -1.94 -3.46 113.55 107.78 1xx4 h SER 30 Ca 0.00 0.02 -0.43 0.00 -0.84 0.00 0.00 61.79 60.55 1xx4 h SER 30 Cb 0.00 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.31 1xx4 h SER 30 CO 0.00 0.56 -0.65 0.59 -1.14 0.00 0.00 176.83 176.19 1xx4 n ASN 31 N -4.53 -4.36 -0.03 3.07 3.02 -1.24 -4.89 115.26 106.30 1xx4 n ASN 31 Ca 0.16 -0.54 -0.03 0.00 -0.03 0.00 0.00 54.58 54.14 1xx4 n ASN 31 Cb 0.26 -3.55 -0.01 0.00 -0.61 0.00 0.00 39.78 35.87 1xx4 n ASN 31 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1xx4 n LYS 32 N -4.12 0.17 0.06 3.52 4.81 -1.26 -4.72 118.16 116.62 1xx4 n LYS 32 Ca -0.00 0.09 0.11 0.00 -0.87 0.00 0.00 58.31 57.64 1xx4 n LYS 32 Cb 0.54 -0.83 0.01 0.00 0.02 0.00 0.00 35.03 34.78 1xx4 n LYS 32 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1xx4 n ARG 33 N -3.14 0.47 -3.68 1.64 5.12 -1.26 -4.76 116.66 111.04 1xx4 n ARG 33 Ca -0.04 0.04 -0.19 0.00 -1.93 0.00 0.00 57.85 55.72 1xx4 n ARG 33 Cb 0.17 -1.70 -0.18 0.00 -1.16 0.00 0.00 32.46 29.60 1xx4 n ARG 33 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xx4 s VAL 34 N -3.30 -0.12 -0.04 1.55 1.01 -1.26 0.99 120.40 119.23 1xx4 s VAL 34 Ca 0.01 0.40 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 1xx4 s VAL 34 Cb 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.29 1xx4 s VAL 34 CO 0.80 0.17 0.53 -0.76 0.00 0.00 0.00 175.10 175.84 1xx4 s LEU 35 N 2.05 4.38 -0.23 3.92 1.43 -0.48 -3.60 118.68 126.15 1xx4 s LEU 35 Ca 0.03 1.03 -0.04 0.00 -1.03 0.00 0.00 54.13 54.12 1xx4 s LEU 35 Cb -0.12 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1xx4 s LEU 35 CO -0.03 0.10 -0.03 -0.69 0.23 0.00 0.00 176.35 175.93 1xx4 s VAL 36 N -0.07 3.44 0.07 -1.59 1.01 -1.25 -0.58 120.40 121.42 1xx4 s VAL 36 Ca 0.29 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.85 1xx4 s VAL 36 Cb -0.17 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1xx4 s VAL 36 CO 0.15 0.38 -0.26 -1.61 0.00 0.00 0.00 175.10 173.76 1xx4 s GLU 37 N 1.48 1.65 3.13 2.72 2.02 0.18 -4.94 118.70 124.94 1xx4 s GLU 37 Ca 0.05 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.89 1xx4 s GLU 37 Cb -0.15 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.19 1xx4 s GLU 37 CO -0.03 0.48 0.00 1.63 0.02 0.00 0.00 175.26 177.36 1xx4 n LYS 38 N 1.57 0.00 -3.08 1.61 5.02 -1.26 -1.60 118.16 120.41 1xx4 n LYS 38 Ca -0.17 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.68 1xx4 n LYS 38 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.47 1xx4 n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xx4 s ALA 42 N -1.37 3.33 0.00 7.82 0.00 -1.26 -4.79 121.76 125.49 1xx4 s ALA 42 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1xx4 s ALA 42 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1xx4 s ALA 42 CO 0.00 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.12 1xx4 n GLY 43 N 5.14 0.62 3.38 0.00 0.00 -1.25 -4.95 105.19 108.12 1xx4 n GLY 43 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1xx4 n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xx4 s ILE 44 N -2.00 3.10 0.16 -0.61 1.01 -1.26 0.00 121.20 121.61 1xx4 s ILE 44 Ca 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 60.65 60.11 1xx4 s ILE 44 Cb 0.00 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1xx4 s ILE 44 CO 0.00 0.52 -0.24 0.00 0.00 0.00 0.00 174.94 175.22 1xx4 s ALA 45 N 0.37 2.34 -0.07 9.38 0.00 -0.81 -4.73 121.76 128.24 1xx4 s ALA 45 Ca -0.10 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 50.39 1xx4 s ALA 45 Cb -0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1xx4 s ALA 45 CO 0.05 0.44 -0.24 0.08 0.00 0.00 0.00 175.76 176.09 1xx4 s VAL 46 N -1.45 1.98 -0.25 0.00 1.01 -0.63 -1.48 120.40 119.59 1xx4 s VAL 46 Ca 0.16 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1xx4 s VAL 46 Cb -0.09 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1xx4 s VAL 46 CO 0.08 0.55 -0.03 -0.04 0.00 0.00 0.00 175.10 175.66 1xx4 s MET 47 N 0.02 3.04 -0.22 2.72 -1.94 -0.39 -0.65 119.30 121.89 1xx4 s MET 47 Ca -0.08 -0.85 -0.03 0.00 -1.71 0.00 0.00 55.69 53.01 1xx4 s MET 47 Cb -0.15 -3.06 -0.00 0.00 2.01 0.00 0.00 34.83 33.62 1xx4 s MET 47 CO 0.05 -0.35 -0.06 0.15 -0.01 0.00 0.00 175.02 174.80 1xx4 s LYS 48 N 1.40 3.29 0.11 2.03 1.02 0.25 -1.66 119.74 126.18 1xx4 s LYS 48 Ca 0.02 -0.68 -0.31 0.00 0.02 0.00 0.00 55.97 55.03 1xx4 s LYS 48 Cb -0.16 -2.96 -0.10 0.00 -0.52 0.00 0.00 37.83 34.09 1xx4 s LYS 48 CO -0.03 -0.22 1.75 -0.06 -0.92 0.00 0.00 175.35 175.87 1xx4 s PHE 49 N 1.45 2.33 -0.48 3.18 0.08 0.56 -1.39 117.98 123.71 1xx4 s PHE 49 Ca 0.05 0.15 0.08 0.00 0.12 0.00 0.00 56.93 57.33 1xx4 s PHE 49 Cb -0.14 -4.09 0.31 0.00 -0.57 0.00 0.00 43.02 38.53 1xx4 s PHE 49 CO -0.04 -4.42 0.75 1.17 -0.10 0.00 0.00 175.22 172.58 1xx4 n LYS 50 N 5.47 1.82 -3.16 0.44 3.00 0.28 -1.52 118.16 124.48 1xx4 n LYS 50 Ca 0.17 -3.98 -0.20 0.00 -0.00 0.00 0.00 58.31 54.31 1xx4 n LYS 50 Cb 0.39 -1.85 -0.03 0.00 0.00 0.00 0.00 35.03 33.54 1xx4 n LYS 50 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1xx4 n ASN 51 N 0.44 1.33 -4.49 3.14 5.15 -1.25 -4.29 115.26 115.29 1xx4 n ASN 51 Ca 0.27 -3.09 -0.31 0.00 -0.60 0.00 0.00 54.58 50.84 1xx4 n ASN 51 Cb 0.52 -0.61 0.18 0.00 -0.53 0.00 0.00 39.78 39.34 1xx4 n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1xx4 n PRO 52 N 0.26 -1.15 0.16 1.20 -0.04 -1.26 -1.13 135.00 133.04 1xx4 n PRO 52 Ca 0.26 -0.29 0.03 0.00 -0.04 0.00 0.00 63.50 63.46 1xx4 n PRO 52 Cb 0.62 -2.08 0.23 0.00 -0.04 0.00 0.00 33.50 32.23 1xx4 n PRO 52 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1xx4 h PRO 53 N -2.06 0.00 0.00 0.54 0.13 -2.01 -3.43 132.00 125.17 1xx4 h PRO 53 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1xx4 h PRO 53 Cb 1.30 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.38 1xx4 h PRO 53 CO 0.41 0.48 -0.42 1.55 -0.23 0.00 0.00 178.00 179.79 1xx4 n VAL 54 N -3.53 1.58 -4.19 1.56 3.14 -1.25 -4.95 118.33 110.69 1xx4 n VAL 54 Ca -0.00 -2.30 -0.33 0.00 -2.96 0.00 0.00 64.34 58.74 1xx4 n VAL 54 Cb 0.59 0.01 -0.04 0.00 -1.06 0.00 0.00 33.84 33.34 1xx4 n VAL 54 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1xx4 n ASN 55 N -0.88 -1.97 -4.73 6.55 3.02 -0.29 -1.90 115.26 115.05 1xx4 n ASN 55 Ca 0.14 -1.06 -0.37 0.00 -0.03 0.00 0.00 54.58 53.27 1xx4 n ASN 55 Cb 0.74 -2.63 0.06 0.00 -0.61 0.00 0.00 39.78 37.34 1xx4 n ASN 55 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xx4 s SER 56 N -3.69 4.70 -1.30 6.41 0.15 -1.24 -3.76 113.70 114.98 1xx4 s SER 56 Ca 0.48 2.63 -0.12 0.00 0.70 0.00 0.00 55.95 59.64 1xx4 s SER 56 Cb -0.26 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 61.57 1xx4 s SER 56 CO 0.93 -1.94 1.82 0.18 1.20 0.00 0.00 173.24 175.44 1xx4 n LEU 57 N -1.79 6.23 -4.75 3.45 4.32 0.17 -4.90 117.00 119.73 1xx4 n LEU 57 Ca 0.15 -4.46 -0.30 0.00 -0.02 0.00 0.00 56.01 51.38 1xx4 n LEU 57 Cb 0.48 -1.56 0.11 0.00 -1.62 0.00 0.00 43.42 40.83 1xx4 n LEU 57 CO 0.47 1.09 0.69 -0.94 -1.22 0.00 0.00 177.39 177.48 1xx4 s SER 58 N 1.96 3.99 0.30 -1.43 1.04 -1.26 -3.72 113.70 114.58 1xx4 s SER 58 Ca 0.43 1.50 -0.01 0.00 0.48 0.00 0.00 55.95 58.34 1xx4 s SER 58 Cb 0.07 -2.20 0.46 0.00 0.10 0.00 0.00 66.02 64.44 1xx4 s SER 58 CO -0.01 -2.31 1.94 0.25 0.98 0.00 0.00 173.24 174.09 1xx4 h LEU 59 N -1.32 0.88 0.22 2.42 5.85 -1.97 0.12 115.31 121.50 1xx4 h LEU 59 Ca -0.48 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 1xx4 h LEU 59 Cb 1.27 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1xx4 h LEU 59 CO 0.55 0.69 -0.11 -0.08 -0.34 0.00 0.00 178.44 179.15 1xx4 h GLU 60 N 1.00 -0.29 -0.01 1.25 4.81 -1.99 -1.13 114.58 118.23 1xx4 h GLU 60 Ca 0.26 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.53 1xx4 h GLU 60 Cb -0.01 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1xx4 h GLU 60 CO -0.05 -0.19 -0.16 0.35 -0.73 0.00 0.00 179.01 178.23 1xx4 h PHE 61 N -0.30 -0.43 -0.77 0.92 -0.00 -1.78 0.97 116.94 115.55 1xx4 h PHE 61 Ca -0.03 0.01 0.10 0.00 -0.00 0.00 0.00 57.97 58.05 1xx4 h PHE 61 Cb 0.23 0.19 -0.05 0.00 -0.00 0.00 0.00 35.95 36.32 1xx4 h PHE 61 CO -0.07 -0.24 0.51 -0.07 -0.00 0.00 0.00 178.31 178.44 1xx4 h LEU 62 N -0.26 0.62 -0.02 0.59 3.38 -0.63 0.46 115.31 119.44 1xx4 h LEU 62 Ca 0.06 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1xx4 h LEU 62 Cb 0.34 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xx4 h LEU 62 CO -0.17 0.37 -0.42 0.74 0.09 0.00 0.00 178.44 179.06 1xx4 h THR 63 N 0.69 1.46 -0.38 0.22 2.02 -0.58 -2.99 112.91 113.36 1xx4 h THR 63 Ca 0.36 -1.94 -0.09 0.00 0.77 0.00 0.00 66.41 65.51 1xx4 h THR 63 Cb 0.47 2.57 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 1xx4 h THR 63 CO -0.13 0.55 -0.13 -0.08 0.37 0.00 0.00 175.52 176.10 1xx4 h GLU 64 N -0.23 0.67 -0.04 6.66 4.81 -0.47 -2.46 114.58 123.51 1xx4 h GLU 64 Ca -0.05 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1xx4 h GLU 64 Cb 1.13 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1xx4 h GLU 64 CO 0.08 0.77 0.03 0.35 -0.73 0.00 0.00 179.01 179.51 1xx4 h PHE 65 N 0.61 0.06 -0.22 0.92 3.57 -0.97 -0.71 116.94 120.20 1xx4 h PHE 65 Ca 0.10 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1xx4 h PHE 65 Cb 0.57 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1xx4 h PHE 65 CO 0.03 0.08 0.08 0.28 -2.23 0.00 0.00 178.31 176.55 1xx4 h VAL 66 N 0.02 1.17 -0.38 1.41 2.07 -1.45 0.13 116.25 119.22 1xx4 h VAL 66 Ca 0.02 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.04 1xx4 h VAL 66 Cb 0.04 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1xx4 h VAL 66 CO -0.00 0.17 0.14 0.40 0.02 0.00 0.00 177.57 178.30 1xx4 h ILE 67 N 0.19 0.90 -0.59 4.57 2.04 -1.37 -0.72 117.51 122.53 1xx4 h ILE 67 Ca 0.07 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.73 1xx4 h ILE 67 Cb 0.20 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1xx4 h ILE 67 CO -0.00 0.06 0.01 0.28 0.00 0.00 0.00 178.15 178.49 1xx4 h SER 68 N 0.31 1.02 -0.93 1.72 0.02 -0.95 -2.71 113.55 112.02 1xx4 h SER 68 Ca 0.17 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1xx4 h SER 68 Cb 0.14 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.35 1xx4 h SER 68 CO -0.17 1.07 0.60 0.25 -1.14 0.00 0.00 176.83 177.45 1xx4 h LEU 69 N 0.93 1.00 -0.87 5.07 5.85 -0.26 -2.04 115.31 124.99 1xx4 h LEU 69 Ca 0.17 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1xx4 h LEU 69 Cb 0.55 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1xx4 h LEU 69 CO 0.03 0.69 0.37 -0.08 -0.34 0.00 0.00 178.44 179.11 1xx4 h GLU 70 N 1.17 1.19 -0.65 1.25 4.81 -0.87 -1.28 114.58 120.20 1xx4 h GLU 70 Ca 0.37 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1xx4 h GLU 70 Cb 0.01 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1xx4 h GLU 70 CO -0.12 0.93 0.30 0.87 -0.73 0.00 0.00 179.01 180.25 1xx4 h LYS 71 N 1.17 0.95 -0.66 1.92 1.57 -1.09 -2.04 116.57 118.40 1xx4 h LYS 71 Ca 0.28 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1xx4 h LYS 71 Cb 0.15 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1xx4 h LYS 71 CO -0.03 0.77 0.28 -0.07 -0.57 0.00 0.00 179.45 179.82 1xx4 h LEU 72 N 0.90 0.88 -0.82 2.94 4.07 -0.97 -1.90 115.31 120.41 1xx4 h LEU 72 Ca 0.22 -0.11 -0.12 0.00 0.08 0.00 0.00 57.88 57.94 1xx4 h LEU 72 Cb 0.15 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1xx4 h LEU 72 CO -0.02 0.78 -0.48 -0.33 -1.08 0.00 0.00 178.44 177.30 1xx4 h GLU 73 N 0.95 0.25 -0.01 1.13 5.08 -0.79 -2.81 114.58 118.38 1xx4 h GLU 73 Ca 0.23 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1xx4 h GLU 73 Cb 0.17 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1xx4 h GLU 73 CO -0.02 0.69 -0.09 0.09 -1.00 0.00 0.00 179.01 178.67 1xx4 n ASN 74 N -3.97 1.22 -4.43 1.42 3.02 -0.81 -4.64 115.26 107.07 1xx4 n ASN 74 Ca -0.02 -1.22 -0.44 0.00 -0.03 0.00 0.00 54.58 52.87 1xx4 n ASN 74 Cb 0.53 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.71 1xx4 n ASN 74 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xx4 s ASP 75 N -2.19 6.38 0.15 6.41 -1.08 -0.73 -4.89 116.67 120.71 1xx4 s ASP 75 Ca 0.33 -1.56 0.07 0.00 -0.52 0.00 0.00 52.55 50.88 1xx4 s ASP 75 Cb 0.20 -2.38 0.37 0.00 -1.46 0.00 0.00 42.92 39.65 1xx4 s ASP 75 CO 0.41 -1.20 1.09 0.29 0.52 0.00 0.00 175.17 176.27 1xx4 n LYS 76 N 6.86 0.05 0.00 4.34 4.76 -1.26 -0.12 118.16 132.78 1xx4 n LYS 76 Ca 0.07 0.45 0.13 0.00 -2.87 0.00 0.00 58.31 56.09 1xx4 n LYS 76 Cb 0.46 -1.84 0.33 0.00 -1.84 0.00 0.00 35.03 32.15 1xx4 n LYS 76 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1xx4 n SER 77 N -1.68 0.90 -4.45 4.39 3.41 -1.26 -4.78 113.62 110.15 1xx4 n SER 77 Ca -0.00 -0.73 -0.36 0.00 -0.26 0.00 0.00 58.87 57.52 1xx4 n SER 77 Cb 0.20 0.18 -0.12 0.00 -0.26 0.00 0.00 64.21 64.21 1xx4 n SER 77 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xx4 s ILE 78 N -2.64 4.20 -0.05 -1.33 -1.09 0.82 -3.74 121.20 117.36 1xx4 s ILE 78 Ca 0.20 -0.22 0.09 0.00 -2.23 0.00 0.00 60.65 58.50 1xx4 s ILE 78 Cb 0.19 -2.94 -0.14 0.00 -1.58 0.00 0.00 42.46 37.98 1xx4 s ILE 78 CO 0.57 0.37 0.14 0.54 -1.23 0.00 0.00 174.94 175.33 1xx4 n ARG 79 N 4.71 1.31 -4.04 2.79 1.74 0.10 -4.86 116.66 118.40 1xx4 n ARG 79 Ca -0.17 -0.05 -0.08 0.00 -0.77 0.00 0.00 57.85 56.79 1xx4 n ARG 79 Cb 0.51 -1.24 -0.10 0.00 -1.02 0.00 0.00 32.46 30.61 1xx4 n ARG 79 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xx4 s GLY 80 N -3.64 0.38 -0.02 -0.13 0.00 -0.39 -2.23 107.32 101.30 1xx4 s GLY 80 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1xx4 s GLY 80 CO 0.41 -1.13 0.00 0.14 0.00 0.00 0.00 173.10 172.52 1xx4 s VAL 81 N -3.42 0.10 -0.20 1.40 1.01 0.52 -1.93 120.40 117.89 1xx4 s VAL 81 Ca 0.02 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1xx4 s VAL 81 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1xx4 s VAL 81 CO -0.08 0.10 0.06 -0.63 0.00 0.00 0.00 175.10 174.55 1xx4 s ILE 82 N 0.76 4.64 -0.13 2.22 1.01 -0.55 -1.17 121.20 127.99 1xx4 s ILE 82 Ca -0.07 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 1xx4 s ILE 82 Cb -0.10 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1xx4 s ILE 82 CO -0.02 0.43 0.11 -0.76 0.00 0.00 0.00 174.94 174.71 1xx4 s LEU 83 N 0.65 4.20 0.00 2.97 1.43 0.56 -1.26 118.68 127.23 1xx4 s LEU 83 Ca 0.03 0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 1xx4 s LEU 83 Cb -0.13 -2.03 0.10 0.00 0.03 0.00 0.00 46.19 44.16 1xx4 s LEU 83 CO 0.02 0.36 1.03 0.28 0.23 0.00 0.00 176.35 178.26 1xx4 s THR 84 N -0.72 0.00 0.04 5.49 -1.32 -0.67 -0.67 115.64 117.79 1xx4 s THR 84 Ca 0.13 -0.21 -0.21 0.00 -1.21 0.00 0.00 61.69 60.18 1xx4 s THR 84 Cb -0.12 -1.42 -0.06 0.00 -1.51 0.00 0.00 72.50 69.39 1xx4 s THR 84 CO 0.03 0.00 0.64 -0.55 -2.21 0.00 0.00 174.62 172.52 1xx4 s SER 85 N -2.62 7.09 0.49 8.08 0.15 -1.26 -0.32 113.70 125.30 1xx4 s SER 85 Ca 0.09 1.29 0.29 0.00 0.70 0.00 0.00 55.95 58.32 1xx4 s SER 85 Cb -0.00 -2.40 1.05 0.00 -1.71 0.00 0.00 66.02 62.96 1xx4 s SER 85 CO -0.04 0.15 1.87 1.05 1.20 0.00 0.00 173.24 177.46 1xx4 h GLU 86 N 5.20 0.00 -4.75 5.44 -0.00 -1.52 -3.40 114.58 115.56 1xx4 h GLU 86 Ca -0.46 0.00 -0.68 0.00 -0.00 0.00 0.00 59.36 58.21 1xx4 h GLU 86 Cb 1.21 0.00 -0.33 0.00 -0.00 0.00 0.00 28.75 29.63 1xx4 h GLU 86 CO 0.68 0.09 -0.69 0.50 -0.00 0.00 0.00 179.01 179.59 1xx4 s ARG 87 N -3.58 2.41 0.60 1.06 3.52 -1.26 -5.08 118.95 116.62 1xx4 s ARG 87 Ca 0.02 -1.30 -0.19 0.00 -0.13 0.00 0.00 55.73 54.13 1xx4 s ARG 87 Cb 0.09 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 1xx4 s ARG 87 CO 0.60 -0.65 1.08 -0.35 -0.81 0.00 0.00 175.30 175.16 1xx4 n PRO 88 N 4.63 1.05 0.00 5.12 -0.04 -1.26 -3.95 135.00 140.55 1xx4 n PRO 88 Ca -0.12 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1xx4 n PRO 88 Cb 0.43 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1xx4 n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xx4 n GLY 89 N 1.15 3.56 2.70 0.55 0.00 -0.80 -5.02 105.19 107.34 1xx4 n GLY 89 Ca 0.14 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 1xx4 n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xx4 s ILE 90 N 0.00 0.25 0.03 -0.61 1.01 -1.25 -1.53 121.20 119.10 1xx4 s ILE 90 Ca 0.00 -0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.21 1xx4 s ILE 90 Cb 0.00 -0.68 -0.17 0.00 0.01 0.00 0.00 42.46 41.62 1xx4 s ILE 90 CO 0.00 -0.06 1.29 0.15 0.00 0.00 0.00 174.94 176.32 1xx4 h PHE 91 N 8.33 -0.71 -1.36 3.97 3.04 -0.99 -3.45 116.94 125.78 1xx4 h PHE 91 Ca -0.16 -0.02 0.14 0.00 3.98 0.00 0.00 57.97 61.91 1xx4 h PHE 91 Cb 1.13 0.23 -0.29 0.00 2.56 0.00 0.00 35.95 39.58 1xx4 h PHE 91 CO 0.32 -0.38 0.57 0.45 -2.02 0.00 0.00 178.31 177.25 1xx4 s SER 92 N -4.65 -0.32 0.00 0.41 0.15 -1.10 -4.62 113.70 103.57 1xx4 s SER 92 Ca -0.15 0.54 0.30 0.00 0.70 0.00 0.00 55.95 57.33 1xx4 s SER 92 Cb 0.02 0.92 1.43 0.00 -1.71 0.00 0.00 66.02 66.69 1xx4 s SER 92 CO 0.52 -0.09 1.98 0.00 1.20 0.00 0.00 173.24 176.85 1xx4 n ALA 93 N 2.92 2.65 0.00 5.45 0.00 -0.80 -3.48 120.51 127.26 1xx4 n ALA 93 Ca -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1xx4 n ALA 93 Cb 0.57 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1xx4 n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xx4 n GLY 94 N 1.23 -1.65 3.53 0.00 0.00 -1.26 -4.44 105.19 102.60 1xx4 n GLY 94 Ca 0.16 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 1xx4 n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xx4 n LEU 95 N 0.00 1.84 -4.45 0.99 4.77 -1.26 0.46 117.00 119.35 1xx4 n LEU 95 Ca 0.00 0.83 -0.43 0.00 -0.03 0.00 0.00 56.01 56.37 1xx4 n LEU 95 Cb 0.00 -1.26 -0.05 0.00 -2.33 0.00 0.00 43.42 39.78 1xx4 n LEU 95 CO 0.00 -2.42 0.58 -0.62 -1.33 0.00 0.00 177.39 173.60 1xx4 s ASP 96 N -1.09 6.22 0.45 -1.43 -1.08 -1.24 -4.58 116.67 113.91 1xx4 s ASP 96 Ca 0.69 -0.94 0.28 0.00 -0.52 0.00 0.00 52.55 52.06 1xx4 s ASP 96 Cb -0.47 -2.37 1.35 0.00 -1.46 0.00 0.00 42.92 39.97 1xx4 s ASP 96 CO 0.53 -1.20 1.71 -0.07 0.52 0.00 0.00 175.17 176.66 1xx4 h LEU 97 N 10.59 0.26 -1.28 -1.34 -0.00 -1.96 0.28 115.31 121.87 1xx4 h LEU 97 Ca -0.28 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.67 1xx4 h LEU 97 Cb 1.08 0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.76 1xx4 h LEU 97 CO 1.10 -0.03 0.35 0.24 -0.00 0.00 0.00 178.44 180.09 1xx4 h MET 98 N 0.18 0.84 0.00 1.13 2.86 -1.94 -0.95 114.93 117.05 1xx4 h MET 98 Ca 0.69 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 58.25 1xx4 h MET 98 Cb 2.18 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.67 1xx4 h MET 98 CO -0.26 0.61 0.06 0.93 1.06 0.00 0.00 176.91 179.30 1xx4 h GLU 99 N 0.85 0.00 -0.16 1.72 4.39 -0.84 -2.63 114.58 117.92 1xx4 h GLU 99 Ca 0.22 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.77 1xx4 h GLU 99 Cb 0.00 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 28.47 1xx4 h GLU 99 CO -0.04 0.00 -0.72 0.00 -1.16 0.00 0.00 179.01 177.09 1xx4 n MET 100 N -2.52 1.58 -4.74 2.33 0.00 -0.37 -4.89 117.12 108.51 1xx4 n MET 100 Ca -0.02 -3.17 -0.28 0.00 0.00 0.00 0.00 57.70 54.23 1xx4 n MET 100 Cb 0.10 -1.37 -0.17 0.00 0.00 0.00 0.00 33.22 31.78 1xx4 n MET 100 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 1xx4 s TYR 101 N -2.61 1.96 -1.32 3.17 6.14 -0.99 -4.80 117.35 118.89 1xx4 s TYR 101 Ca 0.39 -0.82 -0.02 0.00 0.64 0.00 0.00 57.07 57.26 1xx4 s TYR 101 Cb 0.38 -1.38 0.01 0.00 0.42 0.00 0.00 41.96 41.39 1xx4 s TYR 101 CO -0.07 -0.38 0.77 0.41 0.64 0.00 0.00 175.55 176.91 1xx4 n GLY 102 N 3.84 -0.32 3.53 8.97 0.00 -1.26 -5.00 105.19 114.94 1xx4 n GLY 102 Ca -0.21 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1xx4 n GLY 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xx4 s ARG 103 N -6.01 1.79 0.34 1.61 1.81 -1.26 -5.14 118.95 112.09 1xx4 s ARG 103 Ca 0.09 -1.92 -0.12 0.00 -1.72 0.00 0.00 55.73 52.07 1xx4 s ARG 103 Cb -0.04 -1.65 -0.07 0.00 -0.45 0.00 0.00 34.95 32.73 1xx4 s ARG 103 CO 0.81 0.14 0.71 0.54 -0.68 0.00 0.00 175.30 176.82 1xx4 s ASN 104 N -3.59 6.62 0.31 0.23 2.20 -1.26 -4.92 114.94 114.53 1xx4 s ASN 104 Ca 0.32 1.13 0.07 0.00 -0.94 0.00 0.00 52.86 53.44 1xx4 s ASN 104 Cb 0.02 -2.32 0.84 0.00 -2.00 0.00 0.00 41.25 37.80 1xx4 s ASN 104 CO 0.16 -0.27 1.66 1.55 -2.94 0.00 0.00 177.10 177.26 1xx4 h PRO 105 N 1.82 0.27 -0.73 3.55 0.13 -1.99 0.25 132.00 135.30 1xx4 h PRO 105 Ca -0.47 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.69 1xx4 h PRO 105 Cb 1.18 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1xx4 h PRO 105 CO 0.65 0.18 0.48 0.00 -0.23 0.00 0.00 178.00 179.08 1xx4 h ALA 106 N 1.80 1.65 -0.11 -0.56 0.00 -1.99 0.41 119.26 120.46 1xx4 h ALA 106 Ca 0.62 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.46 1xx4 h ALA 106 Cb 1.30 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xx4 h ALA 106 CO -0.62 0.25 -0.09 1.25 0.00 0.00 0.00 179.25 180.04 1xx4 h HIS 107 N 0.81 0.30 -0.56 0.00 -0.00 -0.89 -1.65 115.15 113.15 1xx4 h HIS 107 Ca 0.31 -0.08 0.06 0.00 -0.00 0.00 0.00 60.37 60.65 1xx4 h HIS 107 Cb 0.18 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 27.47 1xx4 h HIS 107 CO -0.00 0.65 0.26 1.88 -0.00 0.00 0.00 177.93 180.71 1xx4 h TYR 108 N -0.14 0.46 -0.40 5.26 0.05 -0.92 0.64 116.97 121.92 1xx4 h TYR 108 Ca 0.02 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.85 1xx4 h TYR 108 Cb 0.59 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 1xx4 h TYR 108 CO 0.08 0.19 0.20 0.00 -1.05 0.00 0.00 178.16 177.58 1xx4 h ALA 109 N 1.33 0.49 -0.40 3.88 0.00 -0.87 0.18 119.26 123.87 1xx4 h ALA 109 Ca 0.26 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1xx4 h ALA 109 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xx4 h ALA 109 CO -0.21 -0.15 0.11 1.49 0.00 0.00 0.00 179.25 180.48 1xx4 h GLU 110 N 0.41 0.63 0.93 0.00 4.81 -0.45 -1.89 114.58 119.02 1xx4 h GLU 110 Ca 0.17 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1xx4 h GLU 110 Cb 0.07 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.37 1xx4 h GLU 110 CO -0.11 0.64 -0.46 -0.92 -0.73 0.00 0.00 179.01 177.43 1xx4 h TYR 111 N 0.50 -1.20 -0.75 0.92 3.20 0.74 -2.44 116.97 117.95 1xx4 h TYR 111 Ca 0.13 -0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.09 1xx4 h TYR 111 Cb 0.29 0.40 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 1xx4 h TYR 111 CO 0.01 -0.74 0.49 2.35 -1.64 0.00 0.00 178.16 178.64 1xx4 h TRP 112 N -1.27 0.60 -0.44 -3.82 2.91 -0.68 0.18 115.95 113.44 1xx4 h TRP 112 Ca -0.13 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.86 1xx4 h TRP 112 Cb 0.98 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 29.41 1xx4 h TRP 112 CO -0.02 0.26 0.07 -0.22 -1.03 0.00 0.00 178.44 177.50 1xx4 h LYS 113 N 0.54 0.67 0.00 2.65 3.64 -1.18 -0.98 116.57 121.92 1xx4 h LYS 113 Ca 0.36 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1xx4 h LYS 113 Cb 0.64 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1xx4 h LYS 113 CO -0.13 0.64 -0.53 0.00 -2.27 0.00 0.00 179.45 177.16 1xx4 h ALA 114 N 1.43 1.09 -0.12 5.00 0.00 -0.18 -0.74 119.26 125.74 1xx4 h ALA 114 Ca 0.14 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1xx4 h ALA 114 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xx4 h ALA 114 CO 0.00 0.67 -0.42 0.28 0.00 0.00 0.00 179.25 179.78 1xx4 h VAL 115 N 0.00 1.37 -0.44 0.00 2.07 -0.67 -1.70 116.25 116.88 1xx4 h VAL 115 Ca -0.01 -1.73 0.02 0.00 0.82 0.00 0.00 66.70 65.80 1xx4 h VAL 115 Cb 0.96 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 1xx4 h VAL 115 CO 0.07 0.52 0.26 1.56 0.02 0.00 0.00 177.57 180.00 1xx4 h GLN 116 N 0.09 0.51 -0.27 1.57 4.20 -1.09 -2.05 115.11 118.07 1xx4 h GLN 116 Ca -0.02 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.71 1xx4 h GLN 116 Cb 1.05 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.67 1xx4 h GLN 116 CO 0.09 0.34 0.01 1.49 -0.67 0.00 0.00 178.83 180.08 1xx4 h GLU 117 N 0.52 0.09 -0.68 1.46 4.57 -1.06 0.25 114.58 119.73 1xx4 h GLU 117 Ca 0.17 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.43 1xx4 h GLU 117 Cb 0.01 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.51 1xx4 h GLU 117 CO -0.08 0.06 0.34 1.25 -1.18 0.00 0.00 179.01 179.40 1xx4 h LEU 118 N 0.09 0.46 -0.18 1.64 6.46 -0.99 0.63 115.31 123.42 1xx4 h LEU 118 Ca 0.13 0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.87 1xx4 h LEU 118 Cb 0.17 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1xx4 h LEU 118 CO -0.21 0.28 -0.19 -0.25 -0.62 0.00 0.00 178.44 177.44 1xx4 h TRP 119 N 0.60 0.53 -0.45 1.25 7.01 -0.57 -2.72 115.95 121.61 1xx4 h TRP 119 Ca 0.33 -0.16 0.01 0.00 2.11 0.00 0.00 58.89 61.17 1xx4 h TRP 119 Cb 0.31 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1xx4 h TRP 119 CO -0.10 0.82 0.30 -0.07 -2.79 0.00 0.00 178.44 176.59 1xx4 h LEU 120 N 0.09 0.51 -0.93 0.65 3.38 -0.17 0.84 115.31 119.69 1xx4 h LEU 120 Ca 0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1xx4 h LEU 120 Cb 0.73 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1xx4 h LEU 120 CO 0.05 0.37 -0.16 0.03 0.09 0.00 0.00 178.44 178.81 1xx4 h ARG 121 N 0.61 0.60 0.01 1.13 2.47 -0.91 -1.65 114.38 116.63 1xx4 h ARG 121 Ca 0.17 -0.20 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1xx4 h ARG 121 Cb -0.06 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1xx4 h ARG 121 CO -0.04 0.74 -0.11 -0.07 0.56 0.00 0.00 179.97 181.05 1xx4 h LEU 122 N 0.54 0.08 -1.26 3.04 3.38 -1.33 -2.36 115.31 117.42 1xx4 h LEU 122 Ca 0.09 -0.85 0.02 0.00 0.09 0.00 0.00 57.88 57.22 1xx4 h LEU 122 Cb 0.59 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1xx4 h LEU 122 CO 0.04 0.93 0.51 0.22 0.09 0.00 0.00 178.44 180.22 1xx4 h TYR 123 N -0.75 0.95 -0.44 1.13 3.20 -0.85 -2.79 116.97 117.41 1xx4 h TYR 123 Ca -0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1xx4 h TYR 123 Cb 0.95 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1xx4 h TYR 123 CO 0.22 0.58 0.00 1.28 -1.64 0.00 0.00 178.16 178.60 1xx4 n LEU 124 N -4.43 3.56 -4.77 2.82 4.32 -0.62 -5.00 117.00 112.89 1xx4 n LEU 124 Ca 0.09 -1.57 -0.41 0.00 -0.02 0.00 0.00 56.01 54.10 1xx4 n LEU 124 Cb 0.05 -0.29 -0.00 0.00 -1.62 0.00 0.00 43.42 41.56 1xx4 n LEU 124 CO 0.36 0.79 1.15 -0.24 -1.22 0.00 0.00 177.39 178.22 1xx4 n SER 125 N 1.54 3.79 -0.00 -1.43 2.88 -0.89 -4.89 113.62 114.61 1xx4 n SER 125 Ca 0.20 1.21 0.14 0.00 -1.33 0.00 0.00 58.87 59.09 1xx4 n SER 125 Cb 0.62 -1.61 0.54 0.00 -0.75 0.00 0.00 64.21 63.00 1xx4 n SER 125 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1xx4 n ASN 126 N 0.77 0.13 -4.86 -3.46 5.03 -1.26 -4.83 115.26 106.77 1xx4 n ASN 126 Ca 0.03 0.29 -0.31 0.00 0.87 0.00 0.00 54.58 55.45 1xx4 n ASN 126 Cb 0.38 -0.31 0.01 0.00 -1.02 0.00 0.00 39.78 38.84 1xx4 n ASN 126 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xx4 s LEU 127 N -2.98 3.25 -0.24 3.41 1.43 -1.26 -4.83 118.68 117.46 1xx4 s LEU 127 Ca 0.14 1.46 -0.20 0.00 -1.03 0.00 0.00 54.13 54.49 1xx4 s LEU 127 Cb 0.19 -4.48 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 1xx4 s LEU 127 CO 0.57 -0.91 0.63 -0.89 0.23 0.00 0.00 176.35 175.98 1xx4 s THR 128 N -3.11 4.99 -0.15 5.49 2.01 -0.95 -4.94 115.64 118.98 1xx4 s THR 128 Ca 0.56 1.15 -0.05 0.00 0.31 0.00 0.00 61.69 63.66 1xx4 s THR 128 Cb -0.11 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1xx4 s THR 128 CO 0.52 0.04 0.02 -0.76 -0.69 0.00 0.00 174.62 173.75 1xx4 s LEU 129 N 2.41 3.63 -0.06 4.42 1.02 -1.26 -0.35 118.68 128.49 1xx4 s LEU 129 Ca 0.27 0.06 0.01 0.00 0.02 0.00 0.00 54.13 54.49 1xx4 s LEU 129 Cb -0.16 -1.88 0.02 0.00 0.02 0.00 0.00 46.19 44.19 1xx4 s LEU 129 CO 0.09 0.24 -0.07 -0.63 0.02 0.00 0.00 176.35 176.00 1xx4 s ILE 130 N -0.02 0.76 -0.37 -0.59 1.01 -0.32 -0.40 121.20 121.27 1xx4 s ILE 130 Ca 0.04 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.29 1xx4 s ILE 130 Cb -0.13 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.58 1xx4 s ILE 130 CO 0.02 0.29 0.53 -0.44 0.00 0.00 0.00 174.94 175.33 1xx4 s SER 131 N 1.08 6.31 -0.92 3.58 0.01 -0.67 -0.33 113.70 122.77 1xx4 s SER 131 Ca -0.08 -0.11 -0.15 0.00 1.31 0.00 0.00 55.95 56.92 1xx4 s SER 131 Cb -0.14 -2.27 0.19 0.00 0.21 0.00 0.00 66.02 64.01 1xx4 s SER 131 CO -0.01 -0.54 0.97 0.00 0.41 0.00 0.00 173.24 174.08 1xx4 s ALA 132 N 2.45 3.91 -0.81 1.44 0.00 0.15 -1.02 121.76 127.88 1xx4 s ALA 132 Ca 0.19 -3.20 -0.25 0.00 0.00 0.00 0.00 51.96 48.69 1xx4 s ALA 132 Cb -0.15 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1xx4 s ALA 132 CO 0.14 -2.54 1.65 0.42 0.00 0.00 0.00 175.76 175.44 1xx4 s ILE 133 N 0.94 3.59 -0.44 0.00 1.01 0.88 -4.47 121.20 122.71 1xx4 s ILE 133 Ca 0.26 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.84 1xx4 s ILE 133 Cb -0.08 -4.44 0.57 0.00 0.01 0.00 0.00 42.46 38.52 1xx4 s ILE 133 CO -0.08 -1.38 1.78 -0.46 0.00 0.00 0.00 174.94 174.80 1xx4 n ASN 134 N 11.40 4.20 -3.02 3.58 6.94 -1.26 -1.70 115.26 135.41 1xx4 n ASN 134 Ca 0.24 -3.70 0.01 0.00 -0.02 0.00 0.00 54.58 51.11 1xx4 n ASN 134 Cb 0.50 -0.79 0.01 0.00 -2.36 0.00 0.00 39.78 37.14 1xx4 n ASN 134 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xx4 n GLY 135 N -1.08 0.43 3.77 4.83 0.00 -1.26 -1.90 105.19 109.98 1xx4 n GLY 135 Ca 0.53 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 1xx4 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xx4 s ALA 136 N -1.75 3.21 -0.40 4.61 0.00 -0.58 -4.04 121.76 122.80 1xx4 s ALA 136 Ca 0.21 1.18 0.07 0.00 0.00 0.00 0.00 51.96 53.42 1xx4 s ALA 136 Cb -0.01 -3.47 0.22 0.00 0.00 0.00 0.00 23.12 19.87 1xx4 s ALA 136 CO 0.01 -0.79 0.49 0.45 0.00 0.00 0.00 175.76 175.91 1xx4 n SER 137 N 0.04 -0.24 -4.89 0.00 2.88 0.22 -0.59 113.62 111.03 1xx4 n SER 137 Ca 0.04 -2.62 -0.29 0.00 -1.33 0.00 0.00 58.87 54.67 1xx4 n SER 137 Cb 0.44 -0.45 0.03 0.00 -0.75 0.00 0.00 64.21 63.48 1xx4 n SER 137 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1xx4 s PRO 138 N -0.68 3.02 0.00 -1.46 0.04 -1.23 -2.77 135.00 131.93 1xx4 s PRO 138 Ca 0.34 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1xx4 s PRO 138 Cb 0.13 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1xx4 s PRO 138 CO -0.14 -0.83 0.00 0.00 0.04 0.00 0.00 177.00 176.07 1xx4 n ALA 139 N -2.81 0.00 -0.34 8.56 0.00 0.32 -0.32 120.51 125.92 1xx4 n ALA 139 Ca 0.06 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.71 1xx4 n ALA 139 Cb 0.57 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.48 1xx4 n ALA 139 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xx4 h GLY 140 N 0.00 1.57 1.46 0.00 0.00 -1.89 0.51 103.07 104.72 1xx4 h GLY 140 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1xx4 h GLY 140 CO 0.00 -0.21 -0.02 -1.33 0.00 0.00 0.00 176.54 174.98 1xx4 h GLY 141 N 0.46 0.71 2.00 4.60 0.00 -0.76 -2.18 103.07 107.91 1xx4 h GLY 141 Ca 0.63 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 1xx4 h GLY 141 CO -0.40 0.43 -0.30 0.00 0.00 0.00 0.00 176.54 176.27 1xx4 h LEU 143 N 0.00 0.95 -0.54 0.00 8.10 -0.71 -0.19 115.31 122.93 1xx4 h LEU 143 Ca -0.00 -0.38 -0.04 0.00 0.11 0.00 0.00 57.88 57.57 1xx4 h LEU 143 Cb 0.64 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.57 1xx4 h LEU 143 CO 0.04 1.16 0.20 0.24 -4.11 0.00 0.00 178.44 175.97 1xx4 h MET 144 N 0.78 0.82 -0.73 0.17 2.86 -1.48 -1.96 114.93 115.39 1xx4 h MET 144 Ca 0.09 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1xx4 h MET 144 Cb 0.84 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 1xx4 h MET 144 CO 0.07 0.73 0.28 0.00 1.06 0.00 0.00 176.91 179.05 1xx4 h ALA 145 N 1.05 1.10 0.00 6.32 0.00 -1.37 -2.48 119.26 123.89 1xx4 h ALA 145 Ca 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xx4 h ALA 145 Cb 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xx4 h ALA 145 CO -0.01 0.63 -0.15 -0.07 0.00 0.00 0.00 179.25 179.66 1xx4 h LEU 146 N 1.07 0.00 0.00 0.00 3.38 -0.54 -2.22 115.31 117.00 1xx4 h LEU 146 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1xx4 h LEU 146 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xx4 h LEU 146 CO -0.02 0.15 -0.15 0.35 0.09 0.00 0.00 178.44 178.86 1xx4 n THR 147 N -3.51 0.30 -1.62 0.22 -2.24 -0.78 -4.90 114.28 101.75 1xx4 n THR 147 Ca -0.01 -0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 1xx4 n THR 147 Cb 0.30 -0.40 0.08 0.00 -2.10 0.00 0.00 70.33 68.21 1xx4 n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xx4 n ASP 149 N -3.34 0.45 -3.63 0.00 8.00 0.46 -4.87 116.55 113.62 1xx4 n ASP 149 Ca 0.07 0.12 -0.11 0.00 0.71 0.00 0.00 54.79 55.57 1xx4 n ASP 149 Cb 0.56 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 1xx4 n ASP 149 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1xx4 s TYR 150 N -3.05 -0.65 -0.13 1.24 6.14 -1.13 -5.02 117.35 114.75 1xx4 s TYR 150 Ca 0.11 1.57 0.01 0.00 0.64 0.00 0.00 57.07 59.40 1xx4 s TYR 150 Cb 0.16 0.32 0.02 0.00 0.42 0.00 0.00 41.96 42.88 1xx4 s TYR 150 CO 0.65 -0.31 -0.16 1.03 0.64 0.00 0.00 175.55 177.40 1xx4 s ARG 151 N 0.36 2.40 -0.11 4.97 0.52 -1.26 -1.67 118.95 124.17 1xx4 s ARG 151 Ca 0.01 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 1xx4 s ARG 151 Cb -0.05 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.33 1xx4 s ARG 151 CO -0.03 -0.13 -0.20 0.42 0.02 0.00 0.00 175.30 175.38 1xx4 s ILE 152 N 1.17 2.40 0.08 1.52 1.01 -0.19 -0.65 121.20 126.53 1xx4 s ILE 152 Ca -0.02 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 59.82 1xx4 s ILE 152 Cb -0.14 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 1xx4 s ILE 152 CO -0.06 0.55 -0.23 -0.32 0.00 0.00 0.00 174.94 174.88 1xx4 s MET 153 N 0.30 1.40 0.14 2.79 1.75 -0.42 -0.09 119.30 125.18 1xx4 s MET 153 Ca -0.15 -1.11 -0.30 0.00 -1.25 0.00 0.00 55.69 52.88 1xx4 s MET 153 Cb -0.17 -1.64 -0.07 0.00 2.84 0.00 0.00 34.83 35.78 1xx4 s MET 153 CO 0.07 0.41 1.16 0.00 -0.65 0.00 0.00 175.02 176.01 1xx4 s ALA 154 N -0.95 3.40 -0.95 4.11 0.00 -0.69 -2.05 121.76 124.64 1xx4 s ALA 154 Ca 0.09 0.87 -0.07 0.00 0.00 0.00 0.00 51.96 52.86 1xx4 s ALA 154 Cb -0.10 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1xx4 s ALA 154 CO 0.03 -0.34 2.46 -3.47 0.00 0.00 0.00 175.76 174.45 1xx4 n ASP 155 N 2.94 5.79 -4.22 0.00 2.03 0.86 -4.79 116.55 119.16 1xx4 n ASP 155 Ca 0.05 -2.37 -0.36 0.00 0.52 0.00 0.00 54.79 52.64 1xx4 n ASP 155 Cb 0.46 -1.21 -0.13 0.00 -0.72 0.00 0.00 41.12 39.51 1xx4 n ASP 155 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1xx4 s ASN 156 N 2.85 4.90 0.62 1.67 3.84 -1.26 -4.72 114.94 122.84 1xx4 s ASN 156 Ca 0.49 -1.10 0.26 0.00 0.21 0.00 0.00 52.86 52.73 1xx4 s ASN 156 Cb 0.15 -1.76 1.44 0.00 -0.55 0.00 0.00 41.25 40.53 1xx4 s ASN 156 CO -0.03 -0.24 1.80 0.77 -2.79 0.00 0.00 177.10 176.60 1xx4 h SER 157 N 8.08 0.00 1.25 -4.21 4.64 -2.01 0.27 113.55 121.57 1xx4 h SER 157 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1xx4 h SER 157 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1xx4 h SER 157 CO 0.56 0.00 -0.11 0.29 -0.87 0.00 0.00 176.83 176.70 1xx4 n LYS 158 N -2.76 0.20 -3.24 4.77 5.02 -1.26 -4.76 118.16 116.13 1xx4 n LYS 158 Ca -0.02 0.14 -0.40 0.00 -2.02 0.00 0.00 58.31 56.02 1xx4 n LYS 158 Cb 0.39 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 1xx4 n LYS 158 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1xx4 s TYR 159 N -3.08 3.32 0.05 2.13 4.12 0.96 -4.78 117.35 120.07 1xx4 s TYR 159 Ca 0.11 0.70 0.07 0.00 0.02 0.00 0.00 57.07 57.97 1xx4 s TYR 159 Cb 0.14 -2.69 -0.03 0.00 -1.52 0.00 0.00 41.96 37.86 1xx4 s TYR 159 CO 0.60 -0.19 -0.19 0.95 0.02 0.00 0.00 175.55 176.74 1xx4 s THR 160 N 1.98 1.56 0.01 -0.71 -4.23 -1.26 -3.44 115.64 109.55 1xx4 s THR 160 Ca 0.22 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 1xx4 s THR 160 Cb -0.15 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 1xx4 s THR 160 CO 0.09 0.12 -0.14 -0.51 -0.54 0.00 0.00 174.62 173.65 1xx4 s ILE 161 N -0.87 1.08 0.00 2.99 2.07 0.09 -0.61 121.20 125.95 1xx4 s ILE 161 Ca 0.06 -0.73 0.00 0.00 -1.41 0.00 0.00 60.65 58.57 1xx4 s ILE 161 Cb -0.09 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.57 1xx4 s ILE 161 CO 0.02 0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.85 1xx4 n GLY 162 N 2.43 1.60 3.28 1.50 0.00 -1.11 -0.51 105.19 112.38 1xx4 n GLY 162 Ca -0.16 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.28 1xx4 n GLY 162 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xx4 s LEU 163 N 0.00 6.16 -0.47 0.99 1.43 -1.25 -0.52 118.68 125.02 1xx4 s LEU 163 Ca 0.00 -2.13 0.03 0.00 -1.03 0.00 0.00 54.13 51.00 1xx4 s LEU 163 Cb 0.00 -2.14 0.63 0.00 0.03 0.00 0.00 46.19 44.71 1xx4 s LEU 163 CO 0.00 -0.71 1.91 -0.46 0.23 0.00 0.00 176.35 177.32 1xx4 n ASN 164 N 4.71 4.28 -0.09 2.29 6.94 -1.26 -4.35 115.26 127.79 1xx4 n ASN 164 Ca -0.04 -3.65 -0.06 0.00 -0.02 0.00 0.00 54.58 50.81 1xx4 n ASN 164 Cb 0.42 -0.85 0.00 0.00 -2.36 0.00 0.00 39.78 36.99 1xx4 n ASN 164 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1xx4 h GLU 165 N 1.15 0.09 -1.14 -3.83 3.07 -1.87 -2.63 114.58 109.42 1xx4 h GLU 165 Ca 0.61 -0.01 0.34 0.00 -0.50 0.00 0.00 59.36 59.81 1xx4 h GLU 165 Cb 2.51 -0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 30.29 1xx4 h GLU 165 CO 1.15 0.06 0.72 0.66 -1.40 0.00 0.00 179.01 180.19 1xx4 h SER 166 N 0.09 0.38 0.02 1.42 4.64 -1.69 0.42 113.55 118.83 1xx4 h SER 166 Ca 0.15 0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.50 1xx4 h SER 166 Cb 0.20 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1xx4 h SER 166 CO -0.25 -0.05 -0.27 -0.07 -0.87 0.00 0.00 176.83 175.31 1xx4 h LEU 167 N 0.27 0.40 0.00 5.97 3.38 -1.74 -2.22 115.31 121.38 1xx4 h LEU 167 Ca 0.70 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1xx4 h LEU 167 Cb 1.93 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1xx4 h LEU 167 CO -0.40 0.67 0.00 0.18 0.09 0.00 0.00 178.44 178.99 1xx4 n LEU 168 N -4.12 0.00 0.00 1.67 4.77 0.14 -4.82 117.00 114.65 1xx4 n LEU 168 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1xx4 n LEU 168 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1xx4 n LEU 168 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1xx4 n GLY 169 N 0.76 0.60 3.95 -0.72 0.00 -0.83 -4.85 105.19 104.10 1xx4 n GLY 169 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1xx4 n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xx4 s ILE 170 N -2.31 1.82 -0.07 -0.61 -1.09 -0.95 -4.98 121.20 113.00 1xx4 s ILE 170 Ca 0.00 -1.32 -0.05 0.00 -2.23 0.00 0.00 60.65 57.05 1xx4 s ILE 170 Cb 0.00 -2.14 0.03 0.00 -1.58 0.00 0.00 42.46 38.77 1xx4 s ILE 170 CO 0.00 0.00 0.18 0.54 -1.23 0.00 0.00 174.94 174.43 1xx4 s VAL 171 N -2.74 -0.02 0.37 2.92 0.11 -1.26 -2.45 120.40 117.33 1xx4 s VAL 171 Ca 0.44 0.07 -0.28 0.00 -2.93 0.00 0.00 61.98 59.28 1xx4 s VAL 171 Cb -0.03 -0.28 -0.11 0.00 -1.53 0.00 0.00 36.38 34.43 1xx4 s VAL 171 CO 0.27 0.03 1.51 0.00 -3.33 0.00 0.00 175.10 173.58 1xx4 n ALA 172 N 3.51 2.45 -1.71 1.54 0.00 -1.26 -4.95 120.51 120.08 1xx4 n ALA 172 Ca -0.18 0.34 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 1xx4 n ALA 172 Cb 0.56 -2.43 0.04 0.00 0.00 0.00 0.00 19.45 17.62 1xx4 n ALA 172 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xx4 s PRO 173 N -1.98 2.88 0.24 0.00 0.04 -1.26 -4.75 135.00 130.17 1xx4 s PRO 173 Ca 0.54 1.82 -0.06 0.00 0.04 0.00 0.00 61.00 63.34 1xx4 s PRO 173 Cb -0.47 -1.92 0.45 0.00 0.04 0.00 0.00 34.50 32.60 1xx4 s PRO 173 CO 0.63 -1.27 1.68 0.27 0.04 0.00 0.00 177.00 178.34 1xx4 h PHE 174 N 0.75 0.21 -0.67 0.56 -0.00 -1.99 -0.61 116.94 115.20 1xx4 h PHE 174 Ca -0.50 0.04 -0.03 0.00 -0.00 0.00 0.00 57.97 57.48 1xx4 h PHE 174 Cb 1.30 0.02 -0.03 0.00 -0.00 0.00 0.00 35.95 37.24 1xx4 h PHE 174 CO 0.47 -0.11 0.28 0.11 -0.00 0.00 0.00 178.31 179.06 1xx4 h TRP 175 N 0.23 0.98 -0.35 6.09 5.08 -1.94 0.46 115.95 126.52 1xx4 h TRP 175 Ca 0.41 -0.05 -0.12 0.00 1.08 0.00 0.00 58.89 60.20 1xx4 h TRP 175 Cb 0.70 -0.30 -0.01 0.00 -3.00 0.00 0.00 29.16 26.54 1xx4 h TRP 175 CO -0.29 0.74 -0.27 1.25 -1.28 0.00 0.00 178.44 178.59 1xx4 h LEU 176 N 0.96 0.73 -0.42 0.11 5.85 -1.62 -1.79 115.31 119.14 1xx4 h LEU 176 Ca 0.23 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1xx4 h LEU 176 Cb 0.16 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1xx4 h LEU 176 CO -0.02 0.97 0.25 0.50 -0.34 0.00 0.00 178.44 179.79 1xx4 h LYS 177 N 0.62 0.58 -0.55 1.25 3.11 -0.28 -0.66 116.57 120.64 1xx4 h LYS 177 Ca 0.08 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.83 1xx4 h LYS 177 Cb 0.78 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.86 1xx4 h LYS 177 CO 0.06 0.44 0.21 -0.44 -2.81 0.00 0.00 179.45 176.91 1xx4 h ASP 178 N 0.56 0.73 -0.78 4.20 3.32 -0.67 0.44 116.42 124.23 1xx4 h ASP 178 Ca 0.15 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1xx4 h ASP 178 Cb 0.02 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1xx4 h ASP 178 CO -0.03 0.67 0.31 -1.13 -1.72 0.00 0.00 179.24 177.34 1xx4 h ASN 179 N 0.79 1.08 -0.17 6.45 -0.00 -0.67 0.29 115.58 123.35 1xx4 h ASN 179 Ca 0.19 -0.17 -0.04 0.00 -0.00 0.00 0.00 56.30 56.28 1xx4 h ASN 179 Cb 0.18 -0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.21 1xx4 h ASN 179 CO -0.02 0.96 -0.04 0.22 -0.00 0.00 0.00 177.43 178.55 1xx4 h TYR 180 N 1.14 0.37 -0.68 0.67 3.20 -0.47 -2.67 116.97 118.52 1xx4 h TYR 180 Ca 0.26 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.12 1xx4 h TYR 180 Cb 0.22 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 1xx4 h TYR 180 CO 0.02 0.60 0.37 0.28 -1.64 0.00 0.00 178.16 177.79 1xx4 h VAL 181 N 0.03 0.94 0.00 1.81 2.07 -0.64 0.81 116.25 121.27 1xx4 h VAL 181 Ca 0.04 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1xx4 h VAL 181 Cb 0.48 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1xx4 h VAL 181 CO 0.02 0.12 0.00 0.59 0.02 0.00 0.00 177.57 178.32 1xx4 n ASN 182 N -4.81 0.55 -0.10 0.57 3.02 0.06 -1.49 115.26 113.08 1xx4 n ASN 182 Ca 0.09 0.67 -0.16 0.00 -0.03 0.00 0.00 54.58 55.15 1xx4 n ASN 182 Cb 0.20 -0.77 -0.06 0.00 -0.61 0.00 0.00 39.78 38.53 1xx4 n ASN 182 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1xx4 n THR 183 N -2.15 1.49 -0.14 3.41 -1.04 0.17 -4.73 114.28 111.30 1xx4 n THR 183 Ca 0.01 -0.01 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 1xx4 n THR 183 Cb 0.17 -2.18 0.15 0.00 -1.82 0.00 0.00 70.33 66.65 1xx4 n THR 183 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1xx4 n ILE 184 N -4.44 0.93 0.00 12.58 -5.35 -0.54 -4.80 119.36 117.74 1xx4 n ILE 184 Ca -0.26 -0.97 0.00 0.00 -0.27 0.00 0.00 62.75 61.25 1xx4 n ILE 184 Cb 0.58 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 1xx4 n ILE 184 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xx4 n GLY 185 N 0.58 0.59 0.16 3.28 0.00 -0.55 -4.37 105.19 104.88 1xx4 n GLY 185 Ca 0.12 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1xx4 n GLY 185 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1xx4 h HIS 186 N 0.00 0.50 0.15 1.61 2.76 -1.92 -2.12 115.15 116.14 1xx4 h HIS 186 Ca 0.00 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.08 1xx4 h HIS 186 Cb 0.00 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.83 1xx4 h HIS 186 CO 0.00 0.61 -0.07 -0.09 -1.30 0.00 0.00 177.93 177.08 1xx4 h ARG 187 N 0.25 -0.19 -0.81 5.26 9.65 -1.95 -0.29 114.38 126.30 1xx4 h ARG 187 Ca 0.08 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1xx4 h ARG 187 Cb 0.41 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 1xx4 h ARG 187 CO 0.01 -0.12 0.50 0.00 2.80 0.00 0.00 179.97 183.17 1xx4 h ALA 188 N 0.63 1.03 -0.86 2.80 0.00 -1.76 -2.24 119.26 118.87 1xx4 h ALA 188 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xx4 h ALA 188 Cb 0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1xx4 h ALA 188 CO 0.03 0.48 0.44 0.00 0.00 0.00 0.00 179.25 180.21 1xx4 h ALA 189 N 1.27 1.15 -0.80 0.00 0.00 -1.18 0.34 119.26 120.05 1xx4 h ALA 189 Ca 0.29 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1xx4 h ALA 189 Cb -0.07 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.34 1xx4 h ALA 189 CO -0.06 0.66 0.52 1.49 0.00 0.00 0.00 179.25 181.87 1xx4 h GLU 190 N 1.22 1.02 0.07 0.00 4.81 -0.47 0.27 114.58 121.51 1xx4 h GLU 190 Ca 0.30 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1xx4 h GLU 190 Cb 0.07 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1xx4 h GLU 190 CO -0.04 0.68 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.79 1xx4 h ARG 191 N 1.06 -0.09 -0.63 1.92 2.43 -1.04 -3.03 114.38 115.00 1xx4 h ARG 191 Ca 0.30 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.53 1xx4 h ARG 191 Cb -0.08 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 1xx4 h ARG 191 CO -0.08 0.47 0.35 0.00 -1.51 0.00 0.00 179.97 179.20 1xx4 h ALA 192 N 0.02 0.83 -0.49 2.80 0.00 -0.85 -0.99 119.26 120.58 1xx4 h ALA 192 Ca -0.01 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1xx4 h ALA 192 Cb 0.60 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1xx4 h ALA 192 CO 0.02 0.04 -0.18 -0.07 0.00 0.00 0.00 179.25 179.06 1xx4 h LEU 193 N 0.66 0.98 -0.30 0.00 3.38 -1.07 0.37 115.31 119.34 1xx4 h LEU 193 Ca 0.28 -0.35 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1xx4 h LEU 193 Cb 0.15 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1xx4 h LEU 193 CO -0.16 1.13 -0.41 1.56 0.09 0.00 0.00 178.44 180.64 1xx4 h GLN 194 N 0.84 0.82 -0.01 1.13 4.20 -1.37 -2.99 115.11 117.74 1xx4 h GLN 194 Ca 0.12 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1xx4 h GLN 194 Cb 0.74 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1xx4 h GLN 194 CO 0.06 1.11 -0.16 1.28 -0.67 0.00 0.00 178.83 180.44 1xx4 n LEU 195 N -4.12 0.69 -2.67 1.46 4.77 -0.40 -4.86 117.00 111.87 1xx4 n LEU 195 Ca -0.04 -0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.64 1xx4 n LEU 195 Cb 0.55 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1xx4 n LEU 195 CO 0.48 0.13 -0.15 0.61 -1.33 0.00 0.00 177.39 177.13 1xx4 n GLY 196 N 1.30 -0.51 3.62 -0.72 0.00 0.11 -4.87 105.19 104.12 1xx4 n GLY 196 Ca 0.14 0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 1xx4 n GLY 196 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xx4 n THR 197 N -4.05 1.11 -4.02 2.61 -1.04 0.11 -4.06 114.28 104.94 1xx4 n THR 197 Ca -0.17 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.23 1xx4 n THR 197 Cb 0.64 -1.14 -0.15 0.00 -1.82 0.00 0.00 70.33 67.87 1xx4 n THR 197 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xx4 s LEU 198 N 0.35 3.44 -0.06 -4.42 1.43 -1.26 -3.84 118.68 114.32 1xx4 s LEU 198 Ca 0.69 -1.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.30 1xx4 s LEU 198 Cb -0.74 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1xx4 s LEU 198 CO 0.53 -0.19 0.65 -0.36 0.23 0.00 0.00 176.35 177.21 1xx4 s PHE 199 N 1.17 3.59 0.81 0.29 0.40 0.34 -4.73 117.98 119.86 1xx4 s PHE 199 Ca -0.06 1.20 -0.12 0.00 -0.60 0.00 0.00 56.93 57.35 1xx4 s PHE 199 Cb -0.19 -2.73 0.08 0.00 0.51 0.00 0.00 43.02 40.68 1xx4 s PHE 199 CO -0.05 0.15 1.15 -1.25 0.70 0.00 0.00 175.22 175.93 1xx4 s PRO 200 N 0.56 1.97 0.01 0.24 0.04 -1.26 -0.73 135.00 135.83 1xx4 s PRO 200 Ca 0.35 0.23 -0.02 0.00 0.04 0.00 0.00 61.00 61.60 1xx4 s PRO 200 Cb -0.18 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 1xx4 s PRO 200 CO 0.17 -1.61 0.73 -2.30 0.04 0.00 0.00 177.00 174.03 1xx4 n PRO 201 N -3.35 -0.03 -0.26 0.56 -0.02 -1.22 -0.63 135.00 130.05 1xx4 n PRO 201 Ca 0.07 0.73 0.04 0.00 -2.02 0.00 0.00 63.50 62.33 1xx4 n PRO 201 Cb 0.60 -1.09 0.18 0.00 -0.02 0.00 0.00 33.50 33.16 1xx4 n PRO 201 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xx4 h ALA 202 N -0.61 1.09 -0.36 3.55 0.00 -1.95 -0.34 119.26 120.65 1xx4 h ALA 202 Ca 0.01 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1xx4 h ALA 202 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xx4 h ALA 202 CO -0.06 -0.13 -0.04 0.93 0.00 0.00 0.00 179.25 179.96 1xx4 h GLU 203 N 0.54 0.66 -0.86 0.00 3.07 -1.71 -1.13 114.58 115.15 1xx4 h GLU 203 Ca 0.41 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1xx4 h GLU 203 Cb 0.55 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 1xx4 h GLU 203 CO -0.35 0.79 0.51 0.00 -1.40 0.00 0.00 179.01 178.56 1xx4 h ALA 204 N 0.85 1.29 -0.23 3.43 0.00 -0.20 -0.98 119.26 123.41 1xx4 h ALA 204 Ca 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1xx4 h ALA 204 Cb 0.52 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xx4 h ALA 204 CO 0.03 0.61 -0.03 1.25 0.00 0.00 0.00 179.25 181.11 1xx4 h LEU 205 N 1.18 0.43 -0.91 0.00 5.85 -0.90 0.11 115.31 121.07 1xx4 h LEU 205 Ca 0.31 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1xx4 h LEU 205 Cb -0.04 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1xx4 h LEU 205 CO -0.06 0.67 0.58 0.50 -0.34 0.00 0.00 178.44 179.79 1xx4 h LYS 206 N 0.18 1.05 -0.00 1.25 3.64 -0.63 -1.50 116.57 120.56 1xx4 h LYS 206 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xx4 h LYS 206 Cb 0.46 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1xx4 h LYS 206 CO 0.02 0.69 -0.07 1.33 -2.27 0.00 0.00 179.45 179.15 1xx4 n VAL 207 N -4.55 0.00 -0.73 2.00 0.24 -0.42 -4.92 118.33 109.95 1xx4 n VAL 207 Ca 0.13 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1xx4 n VAL 207 Cb 0.15 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 1xx4 n VAL 207 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xx4 n GLY 208 N 1.38 0.63 0.23 7.63 0.00 -0.56 -4.60 105.19 109.90 1xx4 n GLY 208 Ca 0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1xx4 n GLY 208 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xx4 h LEU 209 N 0.00 0.57 -9.11 0.99 5.85 -1.23 -3.43 115.31 108.94 1xx4 h LEU 209 Ca 0.00 -0.24 -0.64 0.00 0.84 0.00 0.00 57.88 57.84 1xx4 h LEU 209 Cb 0.00 -0.16 -0.17 0.00 0.37 0.00 0.00 40.66 40.70 1xx4 h LEU 209 CO 0.00 0.89 -0.80 0.68 -0.34 0.00 0.00 178.44 178.88 1xx4 s VAL 210 N -4.29 2.50 -0.36 1.05 -7.23 -1.13 -4.90 120.40 106.03 1xx4 s VAL 210 Ca -0.07 -2.07 0.22 0.00 -1.81 0.00 0.00 61.98 58.25 1xx4 s VAL 210 Cb 0.13 -2.23 -0.21 0.00 0.56 0.00 0.00 36.38 34.63 1xx4 s VAL 210 CO 0.82 -0.18 0.78 0.47 -0.31 0.00 0.00 175.10 176.68 1xx4 n ASP 211 N 0.03 0.44 -3.59 4.85 8.00 0.17 -4.51 116.55 121.94 1xx4 n ASP 211 Ca -0.11 -0.15 -0.16 0.00 0.71 0.00 0.00 54.79 55.08 1xx4 n ASP 211 Cb 0.57 1.28 -0.07 0.00 -0.02 0.00 0.00 41.12 42.88 1xx4 n ASP 211 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1xx4 s GLU 212 N -3.33 0.93 -0.10 -1.24 2.12 -1.02 -5.02 118.70 111.03 1xx4 s GLU 212 Ca -0.01 0.26 -0.00 0.00 0.36 0.00 0.00 54.97 55.57 1xx4 s GLU 212 Cb 0.14 0.44 0.02 0.00 0.26 0.00 0.00 34.13 34.99 1xx4 s GLU 212 CO 0.86 -0.26 -0.06 0.08 -0.54 0.00 0.00 175.26 175.33 1xx4 s VAL 213 N -0.98 0.91 0.21 3.70 1.01 -1.26 -1.29 120.40 122.69 1xx4 s VAL 213 Ca -0.10 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1xx4 s VAL 213 Cb -0.02 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1xx4 s VAL 213 CO 0.07 0.35 -0.02 0.68 0.00 0.00 0.00 175.10 176.18 1xx4 s VAL 214 N 1.67 1.05 0.38 2.92 -7.23 -0.87 -4.91 120.40 113.41 1xx4 s VAL 214 Ca 0.03 -2.04 -0.28 0.00 -1.81 0.00 0.00 61.98 57.89 1xx4 s VAL 214 Cb -0.13 -2.24 -0.11 0.00 0.56 0.00 0.00 36.38 34.47 1xx4 s VAL 214 CO -0.07 -0.41 1.48 -2.16 -0.31 0.00 0.00 175.10 173.63 1xx4 s PRO 215 N -3.84 4.10 0.22 4.82 0.04 -1.26 -0.10 135.00 138.97 1xx4 s PRO 215 Ca 0.26 2.56 -0.09 0.00 0.04 0.00 0.00 61.00 63.77 1xx4 s PRO 215 Cb 0.05 -2.96 0.32 0.00 0.04 0.00 0.00 34.50 31.95 1xx4 s PRO 215 CO 0.07 -0.54 1.28 -1.91 0.04 0.00 0.00 177.00 175.94 1xx4 n GLU 216 N 0.44 -0.11 0.03 4.56 2.13 -1.26 0.20 120.64 126.62 1xx4 n GLU 216 Ca 0.01 1.28 0.05 0.00 0.66 0.00 0.00 57.16 59.16 1xx4 n GLU 216 Cb 0.39 -1.91 0.22 0.00 0.27 0.00 0.00 31.44 30.42 1xx4 n GLU 216 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1xx4 n ASP 217 N -5.30 0.12 -0.07 4.31 3.85 -1.26 -2.24 116.55 115.96 1xx4 n ASP 217 Ca 0.12 0.54 0.09 0.00 -0.71 0.00 0.00 54.79 54.83 1xx4 n ASP 217 Cb 0.38 -0.57 -0.09 0.00 -1.35 0.00 0.00 41.12 39.50 1xx4 n ASP 217 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1xx4 n GLN 218 N -1.65 0.80 -0.15 0.11 6.02 0.13 -4.64 117.38 118.00 1xx4 n GLN 218 Ca 0.01 -0.15 -0.04 0.00 -0.01 0.00 0.00 57.00 56.80 1xx4 n GLN 218 Cb 0.09 -1.40 0.02 0.00 1.02 0.00 0.00 30.24 29.96 1xx4 n GLN 218 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1xx4 h VAL 219 N 0.37 0.37 -0.43 5.09 2.07 -1.41 0.81 116.25 123.12 1xx4 h VAL 219 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1xx4 h VAL 219 Cb 0.49 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1xx4 h VAL 219 CO 0.00 0.00 -0.11 0.45 0.02 0.00 0.00 177.57 177.93 1xx4 h HIS 220 N -0.11 0.93 -0.50 1.57 3.86 -1.82 -1.40 115.15 117.69 1xx4 h HIS 220 Ca 0.22 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1xx4 h HIS 220 Cb 0.45 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1xx4 h HIS 220 CO -0.48 0.94 0.00 0.66 0.86 0.00 0.00 177.93 179.92 1xx4 h SER 221 N 0.66 0.80 -0.57 2.45 4.64 -1.77 -1.94 113.55 117.82 1xx4 h SER 221 Ca 0.11 -0.20 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 1xx4 h SER 221 Cb 0.64 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1xx4 h SER 221 CO 0.04 0.86 -0.05 0.50 -0.87 0.00 0.00 176.83 177.32 1xx4 h LYS 222 N 0.78 1.05 -0.96 4.77 1.63 -0.69 -0.16 116.57 122.99 1xx4 h LYS 222 Ca 0.15 -0.35 0.04 0.00 -0.85 0.00 0.00 60.65 59.64 1xx4 h LYS 222 Cb 0.46 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 31.95 1xx4 h LYS 222 CO 0.02 1.05 0.63 0.00 -3.45 0.00 0.00 179.45 177.70 1xx4 h ALA 223 N 0.99 1.40 -0.39 5.00 0.00 -0.87 -0.04 119.26 125.34 1xx4 h ALA 223 Ca 0.16 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1xx4 h ALA 223 Cb 0.61 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xx4 h ALA 223 CO 0.04 0.50 -0.27 0.00 0.00 0.00 0.00 179.25 179.51 1xx4 h ARG 224 N 1.19 0.88 0.79 0.00 3.08 -0.74 -0.55 114.38 119.04 1xx4 h ARG 224 Ca 0.39 -0.42 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1xx4 h ARG 224 Cb 0.05 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1xx4 h ARG 224 CO -0.13 1.07 -0.48 0.77 -1.07 0.00 0.00 179.97 180.13 1xx4 h SER 225 N 0.69 -1.21 -0.47 7.04 0.02 -0.09 -0.63 113.55 118.90 1xx4 h SER 225 Ca 0.08 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 1xx4 h SER 225 Cb 0.85 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 63.67 1xx4 h SER 225 CO 0.07 -0.74 0.09 0.58 -1.14 0.00 0.00 176.83 175.69 1xx4 h VAL 226 N -1.19 0.73 -0.62 2.27 2.07 -1.07 -1.65 116.25 116.79 1xx4 h VAL 226 Ca -0.11 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.44 1xx4 h VAL 226 Cb 0.95 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 1xx4 h VAL 226 CO 0.11 0.04 0.20 -0.03 0.02 0.00 0.00 177.57 177.91 1xx4 h MET 227 N 0.22 0.35 -0.90 1.57 -1.53 -0.91 0.07 114.93 113.79 1xx4 h MET 227 Ca 0.23 -0.02 0.11 0.00 -3.44 0.00 0.00 59.70 56.59 1xx4 h MET 227 Cb 0.31 -0.08 -0.08 0.00 -0.55 0.00 0.00 31.60 31.20 1xx4 h MET 227 CO -0.31 0.23 0.53 0.00 0.14 0.00 0.00 176.91 177.50 1xx4 h ALA 228 N 1.45 1.33 -0.21 0.39 0.00 -0.15 -1.40 119.26 120.67 1xx4 h ALA 228 Ca 0.32 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1xx4 h ALA 228 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xx4 h ALA 228 CO -0.35 0.12 0.08 0.87 0.00 0.00 0.00 179.25 179.97 1xx4 h LYS 229 N 0.84 0.32 -0.01 0.00 1.57 -0.65 -2.38 116.57 116.27 1xx4 h LYS 229 Ca 0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1xx4 h LYS 229 Cb 0.47 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1xx4 h LYS 229 CO -0.27 0.38 0.01 -1.49 -0.57 0.00 0.00 179.45 177.51 1xx4 h TRP 230 N 0.18 0.00 0.00 -1.35 4.06 -0.57 0.51 115.95 118.78 1xx4 h TRP 230 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1xx4 h TRP 230 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1xx4 h TRP 230 CO -0.01 0.00 0.00 0.74 -3.56 0.00 0.00 178.44 175.61 1xx4 h PHE 231 N 0.00 0.00 0.00 0.49 -1.00 -0.75 -2.19 116.94 113.50 1xx4 h PHE 231 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xx4 h PHE 231 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1xx4 h PHE 231 CO 0.00 0.00 0.00 0.25 -1.61 0.00 0.00 178.31 176.95 1xx4 n THR 232 N -2.66 0.23 -3.37 -1.55 -2.24 0.17 -4.69 114.28 100.16 1xx4 n THR 232 Ca 0.02 0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 1xx4 n THR 232 Cb 0.30 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 67.80 1xx4 n THR 232 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xx4 s ILE 233 N -2.60 5.19 -0.14 2.28 -1.09 -0.82 -5.01 121.20 119.00 1xx4 s ILE 233 Ca 0.22 0.74 -0.35 0.00 -2.23 0.00 0.00 60.65 59.03 1xx4 s ILE 233 Cb 0.16 -3.74 -0.12 0.00 -1.58 0.00 0.00 42.46 37.18 1xx4 s ILE 233 CO 0.38 0.25 1.88 -0.81 -1.23 0.00 0.00 174.94 175.40 1xx4 n PRO 234 N 4.46 1.92 -0.31 2.79 -0.04 -1.26 -4.85 135.00 137.71 1xx4 n PRO 234 Ca -0.08 0.70 0.01 0.00 -0.04 0.00 0.00 63.50 64.09 1xx4 n PRO 234 Cb 0.51 -2.54 0.07 0.00 -0.04 0.00 0.00 33.50 31.50 1xx4 n PRO 234 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xx4 h ASP 235 N 9.10 -1.08 -0.40 3.54 5.19 -1.93 -2.09 116.42 128.76 1xx4 h ASP 235 Ca -0.47 0.27 0.01 0.00 -0.62 0.00 0.00 57.03 56.22 1xx4 h ASP 235 Cb 1.28 0.62 -0.02 0.00 0.18 0.00 0.00 39.33 41.39 1xx4 h ASP 235 CO 0.96 -0.29 0.25 1.12 -3.12 0.00 0.00 179.24 178.15 1xx4 h HIS 236 N -0.03 0.47 -0.05 4.55 2.07 -1.99 -0.34 115.15 119.82 1xx4 h HIS 236 Ca 0.36 0.01 -0.14 0.00 -2.85 0.00 0.00 60.37 57.76 1xx4 h HIS 236 Cb 0.61 -0.15 -0.01 0.00 2.57 0.00 0.00 27.41 30.43 1xx4 h HIS 236 CO -0.74 0.28 -0.61 0.66 -3.07 0.00 0.00 177.93 174.46 1xx4 h SER 237 N 0.50 0.19 -0.23 3.10 4.64 -1.89 -1.60 113.55 118.26 1xx4 h SER 237 Ca 0.15 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1xx4 h SER 237 Cb -0.02 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1xx4 h SER 237 CO -0.05 0.75 0.01 -0.09 -0.87 0.00 0.00 176.83 176.57 1xx4 h ARG 238 N 0.12 0.41 -0.63 4.77 2.43 -1.11 -1.73 114.38 118.64 1xx4 h ARG 238 Ca -0.01 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 1xx4 h ARG 238 Cb 1.10 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 1xx4 h ARG 238 CO 0.09 0.58 0.16 1.96 -1.51 0.00 0.00 179.97 181.25 1xx4 h GLN 239 N 0.19 0.98 -0.29 0.20 4.20 -0.98 -0.48 115.11 118.94 1xx4 h GLN 239 Ca 0.07 -0.22 -0.15 0.00 0.06 0.00 0.00 58.65 58.42 1xx4 h GLN 239 Cb 0.40 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1xx4 h GLN 239 CO 0.01 0.87 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.56 1xx4 h LEU 240 N 0.94 0.75 0.15 1.46 3.38 -1.25 -0.45 115.31 120.29 1xx4 h LEU 240 Ca 0.20 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1xx4 h LEU 240 Cb 0.33 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1xx4 h LEU 240 CO -0.00 1.06 -0.07 0.74 0.09 0.00 0.00 178.44 180.26 1xx4 h THR 241 N 0.57 0.94 -0.00 0.22 2.02 -1.03 -0.24 112.91 115.39 1xx4 h THR 241 Ca 0.04 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.85 1xx4 h THR 241 Cb 0.95 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1xx4 h THR 241 CO 0.09 0.09 -0.17 0.50 0.37 0.00 0.00 175.52 176.40 1xx4 h LYS 242 N -0.40 -0.27 -0.76 6.66 3.64 -1.03 -0.28 116.57 124.13 1xx4 h LYS 242 Ca -0.02 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1xx4 h LYS 242 Cb 0.31 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.10 1xx4 h LYS 242 CO 0.03 -0.18 0.34 1.03 -2.27 0.00 0.00 179.45 178.40 1xx4 h SER 243 N -0.28 0.36 -0.88 4.20 0.87 -1.02 -0.77 113.55 116.04 1xx4 h SER 243 Ca 0.06 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1xx4 h SER 243 Cb 0.35 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 1xx4 h SER 243 CO -0.17 0.16 0.52 -0.03 -0.53 0.00 0.00 176.83 176.78 1xx4 h MET 244 N 0.51 1.20 -0.13 2.24 1.85 0.10 -1.03 114.93 119.67 1xx4 h MET 244 Ca 0.41 -0.12 -0.11 0.00 -0.61 0.00 0.00 59.70 59.27 1xx4 h MET 244 Cb 0.58 -0.25 -0.01 0.00 0.43 0.00 0.00 31.60 32.35 1xx4 h MET 244 CO -0.37 0.85 -0.42 0.52 -0.40 0.00 0.00 176.91 177.09 1xx4 h MET 245 N 1.22 0.29 0.00 0.39 2.07 0.35 -3.37 114.93 115.88 1xx4 h MET 245 Ca 0.31 -0.14 0.00 0.00 -2.07 0.00 0.00 59.70 57.80 1xx4 h MET 245 Cb -0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.70 1xx4 h MET 245 CO -0.06 0.66 -0.84 0.54 1.07 0.00 0.00 176.91 178.29 1xx4 n ARG 246 N -4.02 2.26 -0.17 1.72 1.74 -0.81 -4.72 116.66 112.67 1xx4 n ARG 246 Ca -0.02 -0.03 -0.01 0.00 -0.77 0.00 0.00 57.85 57.02 1xx4 n ARG 246 Cb 0.49 -1.14 0.08 0.00 -1.02 0.00 0.00 32.46 30.87 1xx4 n ARG 246 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1xx4 h LYS 247 N 0.00 0.22 -0.13 5.56 1.79 -1.36 -1.59 116.57 121.07 1xx4 h LYS 247 Ca 0.00 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1xx4 h LYS 247 Cb 0.37 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 1xx4 h LYS 247 CO 0.00 0.15 -0.20 0.00 -1.08 0.00 0.00 179.45 178.32 1xx4 h ALA 248 N 1.43 -0.15 -0.28 3.86 0.00 -1.84 0.76 119.26 123.05 1xx4 h ALA 248 Ca 0.28 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1xx4 h ALA 248 Cb 0.39 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1xx4 h ALA 248 CO -0.37 -0.65 0.09 1.15 0.00 0.00 0.00 179.25 179.47 1xx4 h THR 249 N -0.25 0.91 -0.08 0.00 2.02 -1.76 -1.21 112.91 112.54 1xx4 h THR 249 Ca 0.10 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1xx4 h THR 249 Cb 0.40 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1xx4 h THR 249 CO -0.28 0.04 -0.00 0.00 0.37 0.00 0.00 175.52 175.65 1xx4 h ALA 250 N 1.18 0.11 -0.46 6.16 0.00 -0.95 -2.95 119.26 122.34 1xx4 h ALA 250 Ca 0.12 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1xx4 h ALA 250 Cb 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xx4 h ALA 250 CO -0.13 -0.20 0.33 -0.44 0.00 0.00 0.00 179.25 178.80 1xx4 h ASP 251 N -0.15 0.09 0.15 0.00 3.45 0.70 0.20 116.42 120.87 1xx4 h ASP 251 Ca 0.02 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 1xx4 h ASP 251 Cb 0.36 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.11 1xx4 h ASP 251 CO 0.01 0.05 -0.11 -1.13 -1.57 0.00 0.00 179.24 176.49 1xx4 h ASN 252 N 0.10 0.00 0.05 6.45 -0.00 -1.04 -1.97 115.58 119.18 1xx4 h ASN 252 Ca 0.22 0.00 -0.23 0.00 -0.00 0.00 0.00 56.30 56.29 1xx4 h ASN 252 Cb 0.74 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.04 1xx4 h ASN 252 CO -0.02 0.11 -1.23 0.25 -0.00 0.00 0.00 177.43 176.54 1xx4 h LEU 253 N 0.00 0.16 -1.36 0.34 5.85 -0.72 -3.38 115.31 116.20 1xx4 h LEU 253 Ca -0.00 -0.72 0.13 0.00 0.84 0.00 0.00 57.88 58.12 1xx4 h LEU 253 Cb 0.21 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1xx4 h LEU 253 CO 0.01 1.51 0.54 0.40 -0.34 0.00 0.00 178.44 180.57 1xx4 h ILE 254 N -0.67 0.86 0.00 4.05 2.04 -1.01 -0.07 117.51 122.70 1xx4 h ILE 254 Ca -0.30 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1xx4 h ILE 254 Cb 1.48 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1xx4 h ILE 254 CO -0.07 0.12 0.00 2.29 0.00 0.00 0.00 178.15 180.49 1xx4 n LYS 255 N -4.53 0.22 -1.32 2.37 2.85 -0.76 -3.47 118.16 113.53 1xx4 n LYS 255 Ca 0.16 0.37 0.04 0.00 -1.05 0.00 0.00 58.31 57.83 1xx4 n LYS 255 Cb 0.43 -1.87 0.05 0.00 -0.65 0.00 0.00 35.03 32.99 1xx4 n LYS 255 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xx4 n GLN 256 N -2.27 0.24 -0.14 -1.58 10.64 -0.56 -4.92 117.38 118.79 1xx4 n GLN 256 Ca 0.03 -2.15 -0.03 0.00 -1.83 0.00 0.00 57.00 53.01 1xx4 n GLN 256 Cb 0.29 -0.26 0.05 0.00 -0.86 0.00 0.00 30.24 29.45 1xx4 n GLN 256 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1xx4 h ARG 257 N 0.95 0.14 -0.86 2.61 2.43 -1.09 -1.00 114.38 117.57 1xx4 h ARG 257 Ca -0.19 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1xx4 h ARG 257 Cb 1.74 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.22 1xx4 h ARG 257 CO 0.08 0.09 0.53 0.93 -1.51 0.00 0.00 179.97 180.09 1xx4 h GLU 258 N 0.14 1.15 -0.35 0.20 4.39 -1.89 -0.99 114.58 117.23 1xx4 h GLU 258 Ca 0.22 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 1xx4 h GLU 258 Cb 0.32 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1xx4 h GLU 258 CO -0.35 0.79 -0.17 0.00 -1.16 0.00 0.00 179.01 178.12 1xx4 h ALA 259 N 1.41 1.05 -0.46 3.43 0.00 -1.75 -0.21 119.26 122.74 1xx4 h ALA 259 Ca 0.31 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1xx4 h ALA 259 Cb -0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1xx4 h ALA 259 CO -0.06 0.57 -0.18 0.22 0.00 0.00 0.00 179.25 179.80 1xx4 h ASP 260 N 0.57 0.91 -0.42 0.00 3.58 -0.44 -0.63 116.42 119.99 1xx4 h ASP 260 Ca 0.09 -0.32 -0.08 0.00 0.42 0.00 0.00 57.03 57.14 1xx4 h ASP 260 Cb 0.62 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1xx4 h ASP 260 CO 0.04 1.07 -0.06 0.40 -2.88 0.00 0.00 179.24 177.81 1xx4 h ILE 261 N 0.79 1.27 -0.74 2.25 2.04 -0.79 -1.61 117.51 120.71 1xx4 h ILE 261 Ca 0.11 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1xx4 h ILE 261 Cb 0.72 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1xx4 h ILE 261 CO 0.06 0.39 0.38 1.56 0.00 0.00 0.00 178.15 180.53 1xx4 h GLN 262 N 0.62 1.05 -0.56 2.37 4.20 -0.83 -1.39 115.11 120.58 1xx4 h GLN 262 Ca 0.11 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1xx4 h GLN 262 Cb 0.57 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1xx4 h GLN 262 CO 0.03 0.80 0.09 -0.91 -0.67 0.00 0.00 178.83 178.18 1xx4 h ASN 263 N 1.04 0.89 -0.48 1.46 2.35 -0.92 -0.26 115.58 119.65 1xx4 h ASN 263 Ca 0.26 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1xx4 h ASN 263 Cb 0.08 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1xx4 h ASN 263 CO -0.04 0.92 0.18 0.15 -1.65 0.00 0.00 177.43 177.00 1xx4 h PHE 264 N 0.82 0.74 -0.51 1.19 3.04 -1.08 -0.66 116.94 120.48 1xx4 h PHE 264 Ca 0.17 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 1xx4 h PHE 264 Cb 0.41 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 1xx4 h PHE 264 CO 0.03 0.63 0.32 1.15 -2.02 0.00 0.00 178.31 178.42 1xx4 h THR 265 N 0.63 1.15 0.82 4.41 2.02 -1.00 0.15 112.91 121.09 1xx4 h THR 265 Ca 0.16 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 1xx4 h THR 265 Cb 0.22 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1xx4 h THR 265 CO -0.01 0.15 -0.39 0.28 0.37 0.00 0.00 175.52 175.92 1xx4 h SER 266 N 0.69 -0.93 -0.68 4.18 0.02 -0.82 -1.60 113.55 114.41 1xx4 h SER 266 Ca 0.19 0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.29 1xx4 h SER 266 Cb -0.03 0.24 -0.09 0.00 0.14 0.00 0.00 62.40 62.66 1xx4 h SER 266 CO -0.04 -0.62 0.22 0.15 -1.14 0.00 0.00 176.83 175.40 1xx4 h PHE 267 N -1.19 0.36 0.00 3.45 3.04 -1.06 -1.70 116.94 119.85 1xx4 h PHE 267 Ca -0.11 0.04 -0.11 0.00 3.98 0.00 0.00 57.97 61.77 1xx4 h PHE 267 Cb 0.84 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.28 1xx4 h PHE 267 CO 0.02 0.02 -0.50 0.97 -2.02 0.00 0.00 178.31 176.80 1xx4 h ILE 268 N 0.36 1.25 0.00 1.41 6.09 -0.71 -3.12 117.51 122.79 1xx4 h ILE 268 Ca 0.36 -1.79 0.00 0.00 -1.37 0.00 0.00 64.86 62.06 1xx4 h ILE 268 Cb 0.54 1.99 0.00 0.00 0.47 0.00 0.00 36.82 39.82 1xx4 h ILE 268 CO -0.40 0.49 0.00 0.28 -3.07 0.00 0.00 178.15 175.46 1xx4 h SER 269 N 0.00 0.00 -2.61 2.19 0.02 -0.35 -3.37 113.55 109.42 1xx4 h SER 269 Ca -0.01 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1xx4 h SER 269 Cb 0.95 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.56 1xx4 h SER 269 CO 0.07 0.00 0.89 0.54 -1.14 0.00 0.00 176.83 177.18 1xx4 n ARG 270 N -2.37 2.49 -0.30 3.45 1.74 -1.02 -4.79 116.66 115.86 1xx4 n ARG 270 Ca 0.05 0.89 0.04 0.00 -0.77 0.00 0.00 57.85 58.07 1xx4 n ARG 270 Cb 0.40 -2.69 0.25 0.00 -1.02 0.00 0.00 32.46 29.40 1xx4 n ARG 270 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1xx4 h ASP 271 N 5.97 0.89 -0.21 0.55 3.32 -1.92 0.69 116.42 125.71 1xx4 h ASP 271 Ca -0.44 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.54 1xx4 h ASP 271 Cb 1.23 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 1xx4 h ASP 271 CO 0.89 0.56 -0.12 0.77 -1.72 0.00 0.00 179.24 179.63 1xx4 h SER 272 N 1.00 0.58 0.64 6.45 4.64 -1.96 0.93 113.55 125.83 1xx4 h SER 272 Ca 0.39 -0.16 -0.27 0.00 -0.47 0.00 0.00 61.79 61.28 1xx4 h SER 272 Cb 0.23 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1xx4 h SER 272 CO -0.15 0.73 -1.36 0.40 -0.87 0.00 0.00 176.83 175.58 1xx4 h ILE 273 N 0.55 1.32 -0.49 0.95 2.04 -1.57 -2.96 117.51 117.34 1xx4 h ILE 273 Ca 0.10 -3.00 -0.07 0.00 1.00 0.00 0.00 64.86 62.88 1xx4 h ILE 273 Cb 0.53 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 1xx4 h ILE 273 CO 0.03 0.82 0.00 -0.61 0.00 0.00 0.00 178.15 178.40 1xx4 h GLN 274 N 0.04 0.81 0.71 2.37 5.75 0.52 -2.48 115.11 122.83 1xx4 h GLN 274 Ca -0.17 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.08 1xx4 h GLN 274 Cb 1.94 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 30.40 1xx4 h GLN 274 CO 0.14 0.81 -0.36 0.87 -2.65 0.00 0.00 178.83 177.65 1xx4 h LYS 275 N 0.76 -0.94 0.00 1.69 1.79 -0.83 -2.32 116.57 116.72 1xx4 h LYS 275 Ca 0.15 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1xx4 h LYS 275 Cb 0.45 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1xx4 h LYS 275 CO 0.02 -0.63 0.07 -1.13 -1.08 0.00 0.00 179.45 176.70 1xx4 n SER 276 N -4.68 0.29 0.04 0.86 3.41 -1.12 0.15 113.62 112.57 1xx4 n SER 276 Ca -0.12 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 1xx4 n SER 276 Cb 0.39 -0.62 0.40 0.00 -0.26 0.00 0.00 64.21 64.12 1xx4 n SER 276 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xx4 n LEU 277 N -1.89 0.45 -0.11 1.04 7.94 -0.89 -2.42 117.00 121.13 1xx4 n LEU 277 Ca -0.01 0.37 -0.25 0.00 -1.11 0.00 0.00 56.01 55.02 1xx4 n LEU 277 Cb 0.08 -0.34 -0.11 0.00 0.53 0.00 0.00 43.42 43.58 1xx4 n LEU 277 CO 0.05 -0.04 -0.97 1.57 -1.11 0.00 0.00 177.39 176.89 1xx4 n HIS 278 N -1.83 0.58 0.28 1.96 -0.00 0.39 -3.37 115.22 113.22 1xx4 n HIS 278 Ca 0.06 0.22 0.11 0.00 0.46 0.00 0.00 57.72 58.57 1xx4 n HIS 278 Cb 0.38 -1.06 0.77 0.00 -0.12 0.00 0.00 29.99 29.96 1xx4 n HIS 278 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1xx4 h VAL 279 N -0.82 0.76 0.11 3.57 2.07 -1.53 0.31 116.25 120.71 1xx4 h VAL 279 Ca -0.51 -0.08 -0.28 0.00 0.82 0.00 0.00 66.70 66.66 1xx4 h VAL 279 Cb 1.54 1.04 0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1xx4 h VAL 279 CO -0.26 0.02 -1.19 0.22 0.02 0.00 0.00 177.57 176.38 1xx4 h TYR 280 N 0.00 0.73 -0.20 1.57 3.20 -1.65 -2.71 116.97 117.91 1xx4 h TYR 280 Ca -0.00 -0.47 -0.12 0.00 3.14 0.00 0.00 58.73 61.27 1xx4 h TYR 280 Cb 0.04 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 1xx4 h TYR 280 CO 0.00 1.33 -0.35 -0.07 -1.64 0.00 0.00 178.16 177.43 1xx4 h LEU 281 N 0.18 0.67 -0.69 2.82 3.38 -1.20 -3.12 115.31 117.36 1xx4 h LEU 281 Ca -0.15 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 1xx4 h LEU 281 Cb 1.87 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.40 1xx4 h LEU 281 CO 0.21 1.07 0.40 -0.33 0.09 0.00 0.00 178.44 179.88 1xx4 h GLU 282 N 0.28 0.95 0.00 1.13 4.39 -0.54 0.17 114.58 120.95 1xx4 h GLU 282 Ca 0.01 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1xx4 h GLU 282 Cb 0.95 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1xx4 h GLU 282 CO 0.08 0.69 0.00 1.63 -1.16 0.00 0.00 179.01 180.25 1xx4 n LYS 283 N -4.53 0.01 -2.21 2.33 5.02 -1.02 -2.38 118.16 115.38 1xx4 n LYS 283 Ca 0.06 0.42 -0.39 0.00 -2.02 0.00 0.00 58.31 56.38 1xx4 n LYS 283 Cb 0.07 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.60 1xx4 n LYS 283 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xx4 n LEU 284 N -1.46 7.43 0.00 -0.35 7.99 0.60 -5.09 117.00 126.11 1xx4 n LEU 284 Ca 0.01 -5.01 0.00 0.00 -0.01 0.00 0.00 56.01 50.99 1xx4 n LEU 284 Cb 0.03 -1.17 0.00 0.00 -0.11 0.00 0.00 43.42 42.17 1xx4 n LEU 284 CO 0.02 1.93 0.00 0.29 -1.51 0.00 0.00 177.39 178.12