#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6r n THR 26 N 0.00 1.47 -1.86 2.61 -2.24 -1.26 -5.03 114.28 107.97 1x6r n THR 26 Ca 0.00 -1.59 -0.40 0.00 -2.27 0.00 0.00 64.05 59.80 1x6r n THR 26 Cb 0.00 0.14 0.01 0.00 -2.10 0.00 0.00 70.33 68.38 1x6r n THR 26 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1x6r s GLU 27 N -1.92 3.70 -1.54 -0.78 2.12 -1.26 -4.91 118.70 114.11 1x6r s GLU 27 Ca 0.19 2.33 -0.09 0.00 0.36 0.00 0.00 54.97 57.76 1x6r s GLU 27 Cb 0.15 -2.63 -0.03 0.00 0.26 0.00 0.00 34.13 31.88 1x6r s GLU 27 CO 0.03 -0.78 2.78 1.19 -0.54 0.00 0.00 175.26 177.95 1x6r n PHE 28 N -0.21 2.51 -0.19 5.30 0.99 -1.26 -4.78 117.46 119.82 1x6r n PHE 28 Ca 0.05 -3.02 -0.07 0.00 -0.00 0.00 0.00 57.45 54.41 1x6r n PHE 28 Cb 0.43 -2.33 0.08 0.00 -1.00 0.00 0.00 39.48 36.66 1x6r n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x6r h ALA 29 N 4.94 0.95 -0.33 4.37 0.00 -2.00 -0.82 119.26 126.38 1x6r h ALA 29 Ca 0.82 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 55.28 1x6r h ALA 29 Cb 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1x6r h ALA 29 CO 1.71 0.64 -0.46 0.00 0.00 0.00 0.00 179.25 181.14 1x6r h ARG 30 N 0.93 0.88 0.00 0.00 3.08 -1.89 -2.97 114.38 114.41 1x6r h ARG 30 Ca 0.18 -0.51 -0.07 0.00 0.07 0.00 0.00 59.98 59.65 1x6r h ARG 30 Cb 0.48 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1x6r h ARG 30 CO 0.02 1.15 -0.35 0.66 -1.07 0.00 0.00 179.97 180.38 1x6r h SER 31 N 0.70 0.00 -0.23 7.04 4.64 -1.86 -2.31 113.55 121.53 1x6r h SER 31 Ca 0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1x6r h SER 31 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1x6r h SER 31 CO 0.11 0.35 0.08 -0.33 -0.87 0.00 0.00 176.83 176.17 1x6r h GLU 32 N 0.00 0.35 -0.69 4.77 5.08 -1.01 -0.37 114.58 122.71 1x6r h GLU 32 Ca -0.00 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1x6r h GLU 32 Cb 0.70 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1x6r h GLU 32 CO 0.05 0.42 0.43 0.78 -1.00 0.00 0.00 179.01 179.68 1x6r h GLY 33 N 0.20 0.99 1.06 -3.84 0.00 -1.37 -0.26 103.07 99.85 1x6r h GLY 33 Ca 0.07 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1x6r h GLY 33 CO -0.00 0.27 0.02 0.00 0.00 0.00 0.00 176.54 176.82 1x6r h ALA 34 N 1.30 0.78 -0.60 3.60 0.00 -1.21 -1.39 119.26 121.73 1x6r h ALA 34 Ca 0.28 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1x6r h ALA 34 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1x6r h ALA 34 CO -0.11 0.60 0.11 1.03 0.00 0.00 0.00 179.25 180.88 1x6r h SER 35 N 0.90 0.93 -0.10 0.00 0.87 -0.68 -1.37 113.55 114.10 1x6r h SER 35 Ca 0.17 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1x6r h SER 35 Cb 0.53 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1x6r h SER 35 CO 0.03 0.95 0.05 0.00 -0.53 0.00 0.00 176.83 177.32 1x6r h ALA 36 N 1.02 0.13 -0.73 6.23 0.00 -0.91 -2.47 119.26 122.52 1x6r h ALA 36 Ca 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1x6r h ALA 36 Cb 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1x6r h ALA 36 CO 0.01 -0.32 0.31 1.25 0.00 0.00 0.00 179.25 180.50 1x6r h LEU 37 N 0.05 0.98 -1.93 0.00 5.85 -1.14 -2.14 115.31 116.97 1x6r h LEU 37 Ca 0.03 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1x6r h LEU 37 Cb 0.10 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1x6r h LEU 37 CO -0.00 0.85 -0.07 0.00 -0.34 0.00 0.00 178.44 178.88 1x6r h ALA 38 N 1.29 1.12 0.00 1.25 0.00 -1.05 0.14 119.26 122.01 1x6r h ALA 38 Ca 0.25 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1x6r h ALA 38 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1x6r h ALA 38 CO -0.02 0.09 -0.71 0.77 0.00 0.00 0.00 179.25 179.37 1x6r h SER 39 N 0.00 0.00 0.00 0.00 0.02 -0.92 -3.39 113.55 109.26 1x6r h SER 39 Ca -0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.68 1x6r h SER 39 Cb 0.36 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 1x6r h SER 39 CO 0.01 0.71 -2.06 1.33 -1.14 0.00 0.00 176.83 175.69 1x6r n VAL 40 N -3.56 0.99 -0.29 2.27 0.24 -0.89 -4.65 118.33 112.45 1x6r n VAL 40 Ca -0.00 -0.65 0.03 0.00 -2.04 0.00 0.00 64.34 61.68 1x6r n VAL 40 Cb 0.73 -0.52 0.17 0.00 -1.47 0.00 0.00 33.84 32.74 1x6r n VAL 40 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1x6r h ASN 41 N 0.00 0.65 0.31 -1.34 -1.24 -0.92 -1.52 115.58 111.52 1x6r h ASN 41 Ca -0.39 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 56.66 1x6r h ASN 41 Cb 1.88 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.85 1x6r h ASN 41 CO 0.02 0.37 -0.03 -0.65 -1.29 0.00 0.00 177.43 175.85 1x6r h PRO 42 N 0.77 0.00 0.00 6.67 0.11 -1.82 -2.69 132.00 135.03 1x6r h PRO 42 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1x6r h PRO 42 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1x6r h PRO 42 CO -0.25 0.03 0.00 -0.07 -0.21 0.00 0.00 178.00 177.49 1x6r h LEU 43 N 0.00 0.00 -0.68 2.35 3.38 -1.55 -2.67 115.31 116.13 1x6r h LEU 43 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1x6r h LEU 43 Cb 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1x6r h LEU 43 CO 0.00 0.00 0.38 0.11 0.09 0.00 0.00 178.44 179.03 1x6r h LYS 44 N 0.00 0.69 -0.26 1.13 1.57 -1.58 -1.00 116.57 117.12 1x6r h LYS 44 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1x6r h LYS 44 Cb 0.45 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1x6r h LYS 44 CO 0.00 0.46 0.17 1.15 -0.57 0.00 0.00 179.45 180.65 1x6r h THR 45 N 0.71 1.07 -0.46 -0.16 2.02 -1.68 -0.66 112.91 113.75 1x6r h THR 45 Ca 0.30 -0.15 0.08 0.00 0.77 0.00 0.00 66.41 67.41 1x6r h THR 45 Cb 0.18 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 1x6r h THR 45 CO -0.18 0.07 0.09 0.74 0.37 0.00 0.00 175.52 176.61 1x6r h THR 46 N 0.35 0.75 -0.20 3.16 2.02 -1.51 -1.11 112.91 116.36 1x6r h THR 46 Ca 0.09 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1x6r h THR 46 Cb -0.03 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1x6r h THR 46 CO -0.02 0.04 0.10 0.58 0.37 0.00 0.00 175.52 176.60 1x6r h VAL 47 N 0.22 1.12 -0.77 3.16 2.07 -1.03 -2.46 116.25 118.56 1x6r h VAL 47 Ca 0.23 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1x6r h VAL 47 Cb 0.29 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1x6r h VAL 47 CO -0.30 0.11 0.28 -0.33 0.02 0.00 0.00 177.57 177.35 1x6r h GLU 48 N 0.21 1.16 -0.64 1.57 4.39 -0.73 -1.44 114.58 119.11 1x6r h GLU 48 Ca 0.07 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 1x6r h GLU 48 Cb 0.08 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1x6r h GLU 48 CO -0.01 0.96 0.17 0.93 -1.16 0.00 0.00 179.01 179.91 1x6r h GLU 49 N 1.13 1.01 -0.13 2.33 4.39 -1.18 -0.66 114.58 121.47 1x6r h GLU 49 Ca 0.25 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1x6r h GLU 49 Cb 0.26 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1x6r h GLU 49 CO -0.02 0.90 0.07 0.00 -1.16 0.00 0.00 179.01 178.80 1x6r h ALA 50 N 1.06 0.17 -0.36 3.43 0.00 -1.13 -3.04 119.26 119.38 1x6r h ALA 50 Ca 0.20 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1x6r h ALA 50 Cb 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1x6r h ALA 50 CO -0.00 -0.28 -0.05 -0.07 0.00 0.00 0.00 179.25 178.84 1x6r h LEU 51 N 0.10 0.57 -2.45 0.00 3.38 -1.07 -1.98 115.31 113.86 1x6r h LEU 51 Ca 0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1x6r h LEU 51 Cb 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1x6r h LEU 51 CO -0.01 0.67 -0.00 0.77 0.09 0.00 0.00 178.44 179.96 1x6r h SER 52 N 0.56 0.00 0.52 -0.43 4.64 -1.01 -1.08 113.55 116.75 1x6r h SER 52 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1x6r h SER 52 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1x6r h SER 52 CO 0.02 0.00 -0.29 0.54 -0.87 0.00 0.00 176.83 176.24 1x6r n ARG 53 N -3.86 0.28 -1.17 4.77 1.74 -0.81 -4.94 116.66 112.67 1x6r n ARG 53 Ca -0.03 -0.13 -0.05 0.00 -0.77 0.00 0.00 57.85 56.87 1x6r n ARG 53 Cb 0.08 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 1x6r n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x6r n GLY 54 N 1.43 0.73 3.94 -0.13 0.00 -0.41 -5.05 105.19 105.70 1x6r n GLY 54 Ca 0.09 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 1x6r n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6r s TRP 55 N -2.18 3.48 0.40 1.61 0.52 -0.81 -5.02 118.94 116.94 1x6r s TRP 55 Ca 0.00 0.27 -0.02 0.00 0.02 0.00 0.00 56.10 56.37 1x6r s TRP 55 Cb 0.00 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1x6r s TRP 55 CO 0.00 0.33 0.64 -1.12 0.02 0.00 0.00 176.95 176.83 1x6r s SER 56 N -3.51 6.28 -0.10 2.95 0.01 -0.15 -3.86 113.70 115.33 1x6r s SER 56 Ca 0.38 0.64 -0.02 0.00 1.31 0.00 0.00 55.95 58.26 1x6r s SER 56 Cb -0.10 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 1x6r s SER 56 CO 0.31 -0.41 -0.00 -0.69 0.41 0.00 0.00 173.24 172.86 1x6r s VAL 57 N -2.48 4.25 0.17 3.43 1.01 0.03 -0.54 120.40 126.26 1x6r s VAL 57 Ca 0.43 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.21 1x6r s VAL 57 Cb -0.10 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1x6r s VAL 57 CO 0.39 0.58 -0.13 -1.59 0.00 0.00 0.00 175.10 174.36 1x6r s LYS 58 N -0.67 1.16 0.72 2.72 -2.85 -0.51 -0.43 119.74 119.88 1x6r s LYS 58 Ca 0.11 -1.47 -0.11 0.00 -1.00 0.00 0.00 55.97 53.50 1x6r s LYS 58 Cb -0.12 -0.88 0.02 0.00 -2.06 0.00 0.00 37.83 34.79 1x6r s LYS 58 CO 0.02 0.14 1.07 -1.54 0.10 0.00 0.00 175.35 175.14 1x6r s SER 59 N -3.09 5.18 0.00 0.03 1.04 -1.26 -0.99 113.70 114.61 1x6r s SER 59 Ca 0.17 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1x6r s SER 59 Cb -0.00 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1x6r s SER 59 CO 0.04 -1.56 0.00 0.61 0.98 0.00 0.00 173.24 173.30 1x6r n GLY 60 N -2.03 -1.72 3.75 7.32 0.00 -1.26 -4.59 105.19 106.67 1x6r n GLY 60 Ca 0.07 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.27 1x6r n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x6r s THR 61 N 0.00 2.92 -4.93 2.61 -4.23 -1.26 -0.88 115.64 109.88 1x6r s THR 61 Ca 0.00 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1x6r s THR 61 Cb 0.00 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1x6r s THR 61 CO 0.00 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1x6r n GLY 62 N -1.21 0.95 3.71 3.99 0.00 -1.26 -4.92 105.19 106.45 1x6r n GLY 62 Ca -0.02 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.88 1x6r n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x6r s THR 63 N -3.06 4.01 0.34 2.61 -4.23 -1.26 -4.84 115.64 109.21 1x6r s THR 63 Ca 0.00 -1.30 -0.28 0.00 -1.18 0.00 0.00 61.69 58.94 1x6r s THR 63 Cb 0.00 -3.03 -0.12 0.00 1.34 0.00 0.00 72.50 70.69 1x6r s THR 63 CO 0.00 -0.11 1.21 -0.62 -0.54 0.00 0.00 174.62 174.56 1x6r n GLU 64 N -0.20 1.90 -3.73 3.99 1.02 -1.26 -4.55 120.64 117.81 1x6r n GLU 64 Ca -0.09 0.67 -0.37 0.00 -0.02 0.00 0.00 57.16 57.34 1x6r n GLU 64 Cb 0.55 -2.21 -0.11 0.00 -0.02 0.00 0.00 31.44 29.65 1x6r n GLU 64 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1x6r s ASP 65 N -0.41 5.35 0.25 1.62 3.68 -0.15 -4.95 116.67 122.06 1x6r s ASP 65 Ca 0.57 -1.90 0.25 0.00 2.13 0.00 0.00 52.55 53.60 1x6r s ASP 65 Cb -0.59 -1.87 0.91 0.00 -1.45 0.00 0.00 42.92 39.92 1x6r s ASP 65 CO 0.61 -0.55 1.75 0.00 0.13 0.00 0.00 175.17 177.11 1x6r n ALA 66 N 4.69 1.94 0.03 3.66 0.00 -1.26 -0.24 120.51 129.33 1x6r n ALA 66 Ca -0.05 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1x6r n ALA 66 Cb 0.42 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.36 1x6r n ALA 66 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1x6r h THR 67 N 0.00 0.81 0.00 0.00 2.02 -1.96 -3.33 112.91 110.44 1x6r h THR 67 Ca 0.00 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.96 1x6r h THR 67 Cb 0.54 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1x6r h THR 67 CO 0.00 0.23 -0.35 0.29 0.37 0.00 0.00 175.52 176.06 1x6r n LYS 68 N -4.88 0.09 -3.39 6.66 5.02 -1.21 -4.97 118.16 115.48 1x6r n LYS 68 Ca -0.07 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.07 1x6r n LYS 68 Cb 0.25 -1.57 0.07 0.00 -0.02 0.00 0.00 35.03 33.76 1x6r n LYS 68 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x6r n LYS 69 N -1.71 -2.93 -5.23 1.97 5.02 0.66 -4.83 118.16 111.12 1x6r n LYS 69 Ca 0.05 0.78 -0.32 0.00 -2.02 0.00 0.00 58.31 56.80 1x6r n LYS 69 Cb 0.37 -5.50 -0.16 0.00 -0.02 0.00 0.00 35.03 29.71 1x6r n LYS 69 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x6r s GLU 70 N -4.93 2.66 -0.17 1.97 2.02 -0.85 -0.98 118.70 118.43 1x6r s GLU 70 Ca 0.36 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.44 1x6r s GLU 70 Cb -0.06 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 1x6r s GLU 70 CO 0.76 0.35 -0.08 0.08 0.02 0.00 0.00 175.26 176.40 1x6r s VAL 71 N -0.09 3.39 0.56 2.63 1.01 0.30 -0.98 120.40 127.22 1x6r s VAL 71 Ca -0.06 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1x6r s VAL 71 Cb -0.14 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1x6r s VAL 71 CO 0.04 0.48 1.09 -2.16 0.00 0.00 0.00 175.10 174.55 1x6r s PRO 72 N 0.72 3.35 0.46 2.72 0.04 -1.26 -1.43 135.00 139.60 1x6r s PRO 72 Ca -0.04 1.41 0.14 0.00 0.04 0.00 0.00 61.00 62.56 1x6r s PRO 72 Cb -0.15 -2.02 1.10 0.00 0.04 0.00 0.00 34.50 33.47 1x6r s PRO 72 CO 0.02 -0.82 2.05 -0.07 0.04 0.00 0.00 177.00 178.22 1x6r h LEU 73 N 0.88 0.24 0.00 -3.56 3.38 -0.95 -3.46 115.31 111.85 1x6r h LEU 73 Ca -0.49 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1x6r h LEU 73 Cb 1.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1x6r h LEU 73 CO 0.57 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.87 1x6r n GLY 74 N -1.53 0.64 3.24 0.83 0.00 -0.06 -5.01 105.19 103.29 1x6r n GLY 74 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1x6r n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6r s VAL 75 N -2.49 1.69 0.55 1.61 0.11 -1.23 -4.81 120.40 115.83 1x6r s VAL 75 Ca 0.00 -0.99 -0.17 0.00 -2.93 0.00 0.00 61.98 57.89 1x6r s VAL 75 Cb 0.00 -1.42 -0.05 0.00 -1.53 0.00 0.00 36.38 33.38 1x6r s VAL 75 CO 0.00 0.41 1.04 0.00 -3.33 0.00 0.00 175.10 173.22 1x6r s ALA 76 N -0.58 2.83 0.48 1.54 0.00 -1.26 -4.03 121.76 120.74 1x6r s ALA 76 Ca 0.08 0.39 0.20 0.00 0.00 0.00 0.00 51.96 52.64 1x6r s ALA 76 Cb -0.08 -3.21 1.29 0.00 0.00 0.00 0.00 23.12 21.11 1x6r s ALA 76 CO -0.00 -0.59 2.08 0.00 0.00 0.00 0.00 175.76 177.25 1x6r h ALA 77 N 0.77 1.62 -0.51 0.00 0.00 -1.97 -2.61 119.26 116.57 1x6r h ALA 77 Ca -0.47 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 1x6r h ALA 77 Cb 1.21 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1x6r h ALA 77 CO 0.59 0.13 0.13 -0.40 0.00 0.00 0.00 179.25 179.70 1x6r n ASP 78 N -4.12 3.83 0.03 0.00 5.75 -1.26 -1.20 116.55 119.57 1x6r n ASP 78 Ca -0.02 -3.35 0.05 0.00 -0.01 0.00 0.00 54.79 51.45 1x6r n ASP 78 Cb 0.19 -0.67 0.45 0.00 -1.03 0.00 0.00 41.12 40.07 1x6r n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x6r h ALA 79 N 1.82 1.75 -3.05 2.12 0.00 -1.75 -3.37 119.26 116.79 1x6r h ALA 79 Ca 0.21 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.43 1x6r h ALA 79 Cb 1.94 -0.14 -0.29 0.00 0.00 0.00 0.00 17.79 19.29 1x6r h ALA 79 CO 0.52 0.23 -0.74 1.21 0.00 0.00 0.00 179.25 180.47 1x6r s ASN 80 N -6.73 4.19 0.00 0.00 3.84 -1.26 -4.99 114.94 109.98 1x6r s ASN 80 Ca -0.08 -0.53 0.15 0.00 0.21 0.00 0.00 52.86 52.61 1x6r s ASN 80 Cb 0.17 -1.70 0.76 0.00 -0.55 0.00 0.00 41.25 39.93 1x6r s ASN 80 CO 0.72 -0.05 1.38 0.29 -2.79 0.00 0.00 177.10 176.66 1x6r n LYS 81 N 4.75 0.25 0.21 0.43 4.76 -1.26 -1.77 118.16 125.54 1x6r n LYS 81 Ca -0.18 0.12 0.15 0.00 -2.87 0.00 0.00 58.31 55.53 1x6r n LYS 81 Cb 0.50 -1.50 0.68 0.00 -1.84 0.00 0.00 35.03 32.87 1x6r n LYS 81 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1x6r h LEU 82 N 0.00 0.00 0.00 -0.35 3.38 -1.94 -3.40 115.31 113.00 1x6r h LEU 82 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x6r h LEU 82 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1x6r h LEU 82 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1x6r n GLY 83 N -0.42 -0.53 3.11 0.83 0.00 -0.73 -0.72 105.19 106.73 1x6r n GLY 83 Ca 0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 1x6r n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x6r s THR 84 N -3.04 1.02 -0.16 2.61 -4.23 -0.14 -4.56 115.64 107.14 1x6r s THR 84 Ca 0.00 -0.81 -0.08 0.00 -1.18 0.00 0.00 61.69 59.61 1x6r s THR 84 Cb 0.00 -0.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 1x6r s THR 84 CO 0.00 0.09 0.12 -0.63 -0.54 0.00 0.00 174.62 173.66 1x6r s ILE 85 N -0.65 5.32 0.04 2.99 1.01 -0.34 -1.17 121.20 128.39 1x6r s ILE 85 Ca 0.02 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1x6r s ILE 85 Cb -0.07 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1x6r s ILE 85 CO 0.01 0.52 -0.06 0.00 0.00 0.00 0.00 174.94 175.41 1x6r s ALA 86 N -0.24 0.44 -0.05 9.38 0.00 -0.59 -4.67 121.76 126.03 1x6r s ALA 86 Ca 0.10 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.37 1x6r s ALA 86 Cb -0.12 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1x6r s ALA 86 CO 0.01 -0.08 -0.21 -1.17 0.00 0.00 0.00 175.76 174.30 1x6r s LEU 87 N -1.63 1.99 -0.01 0.00 2.96 -1.26 -1.30 118.68 119.43 1x6r s LEU 87 Ca -0.11 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 1x6r s LEU 87 Cb -0.09 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.43 1x6r s LEU 87 CO -0.01 0.20 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.47 1x6r s LYS 88 N -0.06 0.15 0.92 1.98 2.36 -0.36 -4.21 119.74 120.52 1x6r s LYS 88 Ca -0.04 -0.01 -0.12 0.00 -2.55 0.00 0.00 55.97 53.25 1x6r s LYS 88 Cb -0.13 -0.22 0.14 0.00 -1.05 0.00 0.00 37.83 36.58 1x6r s LYS 88 CO 0.03 -0.02 1.11 -1.25 1.55 0.00 0.00 175.35 176.77 1x6r s PRO 89 N 0.28 1.05 -0.21 4.03 0.04 -1.26 -0.48 135.00 138.45 1x6r s PRO 89 Ca -0.02 0.54 -0.04 0.00 0.04 0.00 0.00 61.00 61.52 1x6r s PRO 89 Cb -0.05 -1.81 0.07 0.00 0.04 0.00 0.00 34.50 32.76 1x6r s PRO 89 CO -0.01 -2.31 0.07 0.34 0.04 0.00 0.00 177.00 175.14 1x6r s ASP 90 N -3.68 2.94 0.79 6.66 3.68 -1.26 -3.41 116.67 122.39 1x6r s ASP 90 Ca 0.64 -0.91 -0.12 0.00 2.13 0.00 0.00 52.55 54.29 1x6r s ASP 90 Cb -0.17 -0.47 0.07 0.00 -1.45 0.00 0.00 42.92 40.90 1x6r s ASP 90 CO 0.56 -0.35 1.13 -2.16 0.13 0.00 0.00 175.17 174.48 1x6r s PRO 91 N 1.96 2.14 -0.10 4.34 0.04 -1.26 -5.00 135.00 137.12 1x6r s PRO 91 Ca 0.03 0.34 0.04 0.00 0.04 0.00 0.00 61.00 61.45 1x6r s PRO 91 Cb -0.17 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1x6r s PRO 91 CO -0.15 -1.52 -0.23 0.00 0.04 0.00 0.00 177.00 175.14 1x6r s ALA 92 N -3.39 2.13 -1.58 8.56 0.00 0.43 -4.94 121.76 122.97 1x6r s ALA 92 Ca 0.61 -0.95 0.14 0.00 0.00 0.00 0.00 51.96 51.76 1x6r s ALA 92 Cb -0.12 -0.81 0.17 0.00 0.00 0.00 0.00 23.12 22.36 1x6r s ALA 92 CO 0.51 0.27 1.02 -0.40 0.00 0.00 0.00 175.76 177.17 1x6r n ASP 93 N 3.55 2.38 0.00 0.00 5.68 -1.26 -0.79 116.55 126.10 1x6r n ASP 93 Ca -0.19 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 1x6r n ASP 93 Cb 0.53 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1x6r n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x6r n GLY 94 N 0.77 1.40 0.64 6.12 0.00 -1.26 -4.89 105.19 107.97 1x6r n GLY 94 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1x6r n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x6r n THR 95 N -2.00 0.13 -4.13 2.61 -2.24 -1.26 -4.80 114.28 102.58 1x6r n THR 95 Ca 0.00 -0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 1x6r n THR 95 Cb 0.00 0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 1x6r n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x6r s ALA 96 N -1.87 0.74 0.35 6.98 0.00 -1.26 -5.00 121.76 121.70 1x6r s ALA 96 Ca 0.35 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.65 1x6r s ALA 96 Cb 0.20 0.62 -0.11 0.00 0.00 0.00 0.00 23.12 23.82 1x6r s ALA 96 CO 0.30 -0.43 1.53 -0.51 0.00 0.00 0.00 175.76 176.65 1x6r s ASP 97 N -3.00 6.33 -0.08 0.00 1.01 -1.26 -4.51 116.67 115.16 1x6r s ASP 97 Ca 0.17 3.04 0.01 0.00 0.71 0.00 0.00 52.55 56.48 1x6r s ASP 97 Cb 0.08 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 1x6r s ASP 97 CO -0.03 -0.90 -0.08 -0.63 0.21 0.00 0.00 175.17 173.73 1x6r s ILE 98 N -0.79 3.55 -0.05 0.77 1.01 -0.20 -4.35 121.20 121.13 1x6r s ILE 98 Ca 0.56 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.73 1x6r s ILE 98 Cb -0.47 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 39.54 1x6r s ILE 98 CO 0.59 0.58 -0.19 0.42 0.00 0.00 0.00 174.94 176.34 1x6r s THR 99 N -0.57 1.63 -0.17 2.92 -4.23 0.37 -0.33 115.64 115.26 1x6r s THR 99 Ca 0.08 -0.82 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1x6r s THR 99 Cb -0.12 -1.40 -0.02 0.00 1.34 0.00 0.00 72.50 72.31 1x6r s THR 99 CO 0.02 0.46 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.73 1x6r s LEU 100 N 0.08 2.93 0.03 4.79 1.43 -0.05 -1.23 118.68 126.66 1x6r s LEU 100 Ca -0.06 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1x6r s LEU 100 Cb -0.13 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1x6r s LEU 100 CO 0.03 0.09 -0.23 0.42 0.23 0.00 0.00 176.35 176.89 1x6r s THR 101 N 0.80 1.87 -0.28 5.49 -4.23 -0.42 -0.24 115.64 118.63 1x6r s THR 101 Ca -0.02 -1.22 -0.03 0.00 -1.18 0.00 0.00 61.69 59.23 1x6r s THR 101 Cb -0.15 -1.60 0.03 0.00 1.34 0.00 0.00 72.50 72.12 1x6r s THR 101 CO 0.01 0.33 -0.01 0.12 -0.54 0.00 0.00 174.62 174.53 1x6r s PHE 102 N -0.74 3.14 -0.33 3.99 5.36 -0.22 -1.54 117.98 127.64 1x6r s PHE 102 Ca 0.09 -1.50 -0.12 0.00 -0.96 0.00 0.00 56.93 54.44 1x6r s PHE 102 Cb -0.09 -2.12 -0.02 0.00 -0.34 0.00 0.00 43.02 40.45 1x6r s PHE 102 CO 0.01 -0.72 0.21 0.99 -1.46 0.00 0.00 175.22 174.26 1x6r s THR 103 N 1.35 5.09 -1.52 0.12 2.01 -0.31 -1.31 115.64 121.05 1x6r s THR 103 Ca -0.01 -0.27 -0.09 0.00 0.31 0.00 0.00 61.69 61.64 1x6r s THR 103 Cb -0.18 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1x6r s THR 103 CO -0.02 0.02 2.76 0.23 -0.69 0.00 0.00 174.62 176.92 1x6r n MET 104 N 5.07 3.99 0.26 4.92 0.00 -0.04 -0.97 117.12 130.35 1x6r n MET 104 Ca -0.13 -2.63 0.15 0.00 0.00 0.00 0.00 57.70 55.09 1x6r n MET 104 Cb 0.50 -2.75 0.60 0.00 0.00 0.00 0.00 33.22 31.57 1x6r n MET 104 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1x6r h GLY 105 N 6.58 0.00 -2.14 3.03 0.00 -1.83 -2.54 103.07 106.17 1x6r h GLY 105 Ca 0.81 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.14 1x6r h GLY 105 CO 1.69 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.84 1x6r n GLY 106 N 0.11 1.61 3.92 4.60 0.00 0.10 -4.81 105.19 110.72 1x6r n GLY 106 Ca 0.01 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 1x6r n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6r s ALA 107 N -1.46 2.93 1.23 4.61 0.00 -1.17 -4.70 121.76 123.21 1x6r s ALA 107 Ca 0.39 -0.81 -0.20 0.00 0.00 0.00 0.00 51.96 51.34 1x6r s ALA 107 Cb 0.22 -2.75 0.29 0.00 0.00 0.00 0.00 23.12 20.88 1x6r s ALA 107 CO 0.31 -1.47 1.07 0.41 0.00 0.00 0.00 175.76 176.07 1x6r n GLY 108 N -3.10 -2.69 0.32 0.00 0.00 -1.26 -4.39 105.19 94.07 1x6r n GLY 108 Ca 0.08 -1.51 0.02 0.00 0.00 0.00 0.00 46.02 44.61 1x6r n GLY 108 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x6r h PRO 109 N 0.00 0.73 -0.22 1.61 0.11 -1.98 -0.13 132.00 132.12 1x6r h PRO 109 Ca -0.40 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1x6r h PRO 109 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1x6r h PRO 109 CO 0.26 0.52 -0.32 0.87 -0.21 0.00 0.00 178.00 179.13 1x6r h LYS 110 N 0.74 0.45 -0.01 1.05 1.57 -2.00 -3.29 116.57 115.07 1x6r h LYS 110 Ca 0.19 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x6r h LYS 110 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1x6r h LYS 110 CO -0.03 0.72 -0.23 0.09 -0.57 0.00 0.00 179.45 179.42 1x6r n ASN 111 N -4.08 1.56 -4.72 0.86 3.02 -0.93 -4.82 115.26 106.14 1x6r n ASN 111 Ca -0.01 -1.28 -0.42 0.00 -0.03 0.00 0.00 54.58 52.84 1x6r n ASN 111 Cb 0.44 0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.98 1x6r n ASN 111 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1x6r s LYS 112 N -1.58 4.22 0.00 3.52 2.20 -0.10 -1.67 119.74 126.32 1x6r s LYS 112 Ca 0.12 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 1x6r s LYS 112 Cb 0.11 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1x6r s LYS 112 CO 0.31 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 1x6r n GLY 113 N 3.36 1.12 3.89 5.54 0.00 -0.97 -5.00 105.19 113.12 1x6r n GLY 113 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1x6r n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6r s LYS 114 N -0.48 3.65 -0.06 1.61 -0.14 -0.67 -4.83 119.74 118.82 1x6r s LYS 114 Ca 0.00 0.40 0.00 0.00 -1.36 0.00 0.00 55.97 55.02 1x6r s LYS 114 Cb 0.00 -2.33 0.02 0.00 -1.68 0.00 0.00 37.83 33.84 1x6r s LYS 114 CO 0.00 -0.20 -0.04 0.42 -0.76 0.00 0.00 175.35 174.77 1x6r s ILE 115 N -2.67 0.55 -0.19 2.17 1.01 -1.26 -0.86 121.20 119.94 1x6r s ILE 115 Ca 0.50 -0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.95 1x6r s ILE 115 Cb -0.10 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1x6r s ILE 115 CO 0.41 0.25 0.21 -0.63 0.00 0.00 0.00 174.94 175.17 1x6r s ILE 116 N 1.22 5.36 -0.13 2.92 1.01 -0.43 -2.81 121.20 128.34 1x6r s ILE 116 Ca -0.06 0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.95 1x6r s ILE 116 Cb -0.14 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.80 1x6r s ILE 116 CO -0.02 0.40 -0.16 -0.89 0.00 0.00 0.00 174.94 174.27 1x6r s THR 117 N 0.54 1.66 -0.17 2.92 2.01 0.33 -1.05 115.64 121.87 1x6r s THR 117 Ca 0.12 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.34 1x6r s THR 117 Cb -0.12 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1x6r s THR 117 CO 0.01 0.47 0.02 -0.76 -0.69 0.00 0.00 174.62 173.68 1x6r s LEU 118 N 1.14 3.59 -0.08 4.42 1.43 0.66 -1.27 118.68 128.58 1x6r s LEU 118 Ca -0.02 -0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1x6r s LEU 118 Cb -0.14 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1x6r s LEU 118 CO -0.05 0.17 -0.20 -0.89 0.23 0.00 0.00 176.35 175.60 1x6r s THR 119 N 0.38 1.76 -0.28 5.49 2.01 -0.27 -0.87 115.64 123.86 1x6r s THR 119 Ca 0.00 -0.86 -0.07 0.00 0.31 0.00 0.00 61.69 61.08 1x6r s THR 119 Cb -0.13 -1.53 -0.00 0.00 0.01 0.00 0.00 72.50 70.85 1x6r s THR 119 CO 0.01 0.49 0.07 -0.60 -0.69 0.00 0.00 174.62 173.91 1x6r s ARG 120 N 0.33 3.23 -0.10 4.92 3.52 0.55 -1.20 118.95 130.21 1x6r s ARG 120 Ca -0.15 -0.76 -0.24 0.00 -0.13 0.00 0.00 55.73 54.45 1x6r s ARG 120 Cb -0.16 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 1x6r s ARG 120 CO 0.06 -0.37 0.75 0.95 -0.81 0.00 0.00 175.30 175.88 1x6r s THR 121 N 1.52 4.98 0.32 4.11 -4.23 -0.50 -1.03 115.64 120.82 1x6r s THR 121 Ca 0.04 1.52 0.12 0.00 -1.18 0.00 0.00 61.69 62.20 1x6r s THR 121 Cb -0.17 -4.08 0.05 0.00 1.34 0.00 0.00 72.50 69.65 1x6r s THR 121 CO 0.02 0.17 1.74 0.00 -0.54 0.00 0.00 174.62 176.02 1x6r h ALA 122 N 6.98 1.21 -0.10 3.99 0.00 -1.87 0.18 119.26 129.65 1x6r h ALA 122 Ca -0.37 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.06 1x6r h ALA 122 Cb 1.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1x6r h ALA 122 CO 0.78 0.58 -0.23 0.00 0.00 0.00 0.00 179.25 180.37 1x6r h ALA 123 N 1.54 1.43 0.00 0.00 0.00 -1.92 -3.34 119.26 116.97 1x6r h ALA 123 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1x6r h ALA 123 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1x6r h ALA 123 CO 0.06 0.41 0.00 -0.40 0.00 0.00 0.00 179.25 179.32 1x6r n ASP 124 N -4.20 0.21 -0.54 0.00 5.68 -1.18 -5.02 116.55 111.50 1x6r n ASP 124 Ca -0.01 -0.63 -0.07 0.00 -0.50 0.00 0.00 54.79 53.58 1x6r n ASP 124 Cb 0.33 0.18 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 1x6r n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x6r n GLY 125 N 0.18 0.91 3.90 6.12 0.00 0.61 -5.01 105.19 111.90 1x6r n GLY 125 Ca 0.00 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1x6r n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x6r s LEU 126 N -1.59 4.25 0.05 0.99 1.43 -1.22 -4.83 118.68 117.75 1x6r s LEU 126 Ca 0.00 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1x6r s LEU 126 Cb 0.00 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 1x6r s LEU 126 CO 0.00 0.03 -0.01 0.26 0.23 0.00 0.00 176.35 176.86 1x6r s TRP 127 N -1.70 3.01 0.06 0.29 0.52 -1.26 -1.41 118.94 118.45 1x6r s TRP 127 Ca 0.41 0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.54 1x6r s TRP 127 Cb -0.12 -1.59 -0.04 0.00 -1.15 0.00 0.00 33.47 30.57 1x6r s TRP 127 CO 0.25 0.46 -0.05 -1.59 0.02 0.00 0.00 176.95 176.05 1x6r s LYS 128 N -1.93 0.63 -0.10 4.98 0.00 -0.34 -4.97 119.74 118.02 1x6r s LYS 128 Ca 0.22 -1.13 0.02 0.00 0.00 0.00 0.00 55.97 55.09 1x6r s LYS 128 Cb -0.12 0.01 0.01 0.00 0.00 0.00 0.00 37.83 37.74 1x6r s LYS 128 CO 0.14 -0.06 -0.15 0.00 0.00 0.00 0.00 175.35 175.28 1x6r s THR 130 N 0.84 1.37 0.01 0.00 -4.23 -0.39 -1.56 115.64 111.68 1x6r s THR 130 Ca -0.10 -1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 58.82 1x6r s THR 130 Cb -0.15 -1.41 -0.01 0.00 1.34 0.00 0.00 72.50 72.26 1x6r s THR 130 CO 0.01 -0.28 0.03 -0.55 -0.54 0.00 0.00 174.62 173.29 1x6r s SER 131 N -2.13 0.13 -0.08 3.99 0.15 -0.17 -0.51 113.70 115.09 1x6r s SER 131 Ca 0.05 -0.32 0.17 0.00 0.70 0.00 0.00 55.95 56.55 1x6r s SER 131 Cb -0.08 0.13 0.57 0.00 -1.71 0.00 0.00 66.02 64.93 1x6r s SER 131 CO 0.03 -0.27 1.48 -0.90 1.20 0.00 0.00 173.24 174.79 1x6r n ASP 132 N 1.82 4.02 -4.63 5.45 5.68 -1.12 -4.33 116.55 123.45 1x6r n ASP 132 Ca -0.22 -2.36 -0.31 0.00 -0.50 0.00 0.00 54.79 51.40 1x6r n ASP 132 Cb 0.56 -0.47 0.16 0.00 -1.14 0.00 0.00 41.12 40.23 1x6r n ASP 132 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1x6r n GLN 133 N 0.77 -0.44 -1.66 0.11 6.02 -1.26 -4.89 117.38 116.03 1x6r n GLN 133 Ca 0.21 -0.07 -0.45 0.00 -0.01 0.00 0.00 57.00 56.69 1x6r n GLN 133 Cb 0.73 -2.29 -0.02 0.00 1.02 0.00 0.00 30.24 29.67 1x6r n GLN 133 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1x6r n ASP 134 N -3.78 2.48 -0.34 1.08 8.00 -1.26 -4.84 116.55 117.89 1x6r n ASP 134 Ca 0.11 1.16 0.21 0.00 0.71 0.00 0.00 54.79 56.98 1x6r n ASP 134 Cb 0.52 -1.41 0.45 0.00 -0.02 0.00 0.00 41.12 40.67 1x6r n ASP 134 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1x6r h GLU 135 N 3.55 0.45 0.00 -1.24 9.09 -1.97 -1.13 114.58 123.33 1x6r h GLU 135 Ca -0.45 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1x6r h GLU 135 Cb 1.29 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1x6r h GLU 135 CO 0.71 0.30 0.00 0.00 0.05 0.00 0.00 179.01 180.07 1x6r n GLN 136 N -4.77 0.08 -0.01 1.06 10.64 -1.26 -2.46 117.38 120.67 1x6r n GLN 136 Ca 0.27 0.29 0.05 0.00 -1.83 0.00 0.00 57.00 55.78 1x6r n GLN 136 Cb 0.84 -1.65 0.05 0.00 -0.86 0.00 0.00 30.24 28.62 1x6r n GLN 136 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1x6r n PHE 137 N -1.81 0.02 -2.06 2.61 3.72 -0.43 -4.95 117.46 114.55 1x6r n PHE 137 Ca 0.03 -0.02 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1x6r n PHE 137 Cb 0.22 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 1x6r n PHE 137 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1x6r s ILE 138 N -0.88 3.13 0.70 4.37 1.01 -1.03 -4.70 121.20 123.81 1x6r s ILE 138 Ca 0.13 0.74 -0.14 0.00 0.00 0.00 0.00 60.65 61.37 1x6r s ILE 138 Cb 0.09 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 39.11 1x6r s ILE 138 CO 0.13 0.04 1.12 -2.84 0.00 0.00 0.00 174.94 173.38 1x6r s PRO 139 N 1.64 2.57 0.19 2.79 0.02 -1.26 -4.93 135.00 136.02 1x6r s PRO 139 Ca 0.68 1.38 -0.33 0.00 0.02 0.00 0.00 61.00 62.75 1x6r s PRO 139 Cb -0.38 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.08 1x6r s PRO 139 CO 0.30 -1.43 1.60 1.17 -0.33 0.00 0.00 177.00 178.32 1x6r n LYS 140 N -2.73 2.34 0.00 5.54 4.81 -1.26 -1.98 118.16 124.89 1x6r n LYS 140 Ca 0.10 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1x6r n LYS 140 Cb 0.52 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.94 1x6r n LYS 140 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x6r n GLY 141 N 3.39 0.76 3.90 3.14 0.00 -1.26 -5.06 105.19 110.06 1x6r n GLY 141 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1x6r n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6r s SER 143 N -2.67 3.41 0.00 0.00 1.04 -0.60 -4.84 113.70 110.03 1x6r s SER 143 Ca 0.34 -1.51 0.19 0.00 0.48 0.00 0.00 55.95 55.45 1x6r s SER 143 Cb -0.12 0.12 1.14 0.00 0.10 0.00 0.00 66.02 67.26 1x6r s SER 143 CO 0.27 -0.70 1.54 0.54 0.98 0.00 0.00 173.24 175.87