#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffe n THR 18 N 0.00 0.00 -4.22 5.15 -2.24 -1.26 -4.72 114.28 106.99 1ffe n THR 18 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1ffe n THR 18 Cb 0.00 -0.50 -0.16 0.00 -2.10 0.00 0.00 70.33 67.57 1ffe n THR 18 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ffe s THR 19 N -2.06 1.88 -0.05 4.28 2.01 -1.26 -0.71 115.64 119.74 1ffe s THR 19 Ca 0.46 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 1ffe s THR 19 Cb 0.22 -1.71 0.03 0.00 0.01 0.00 0.00 72.50 71.05 1ffe s THR 19 CO 0.38 0.51 0.03 -0.13 -0.69 0.00 0.00 174.62 174.72 1ffe s ARG 20 N 1.23 0.21 -0.36 4.92 1.81 -1.26 -4.98 118.95 120.52 1ffe s ARG 20 Ca 0.02 0.22 0.11 0.00 -1.72 0.00 0.00 55.73 54.36 1ffe s ARG 20 Cb -0.14 -0.62 0.45 0.00 -0.45 0.00 0.00 34.95 34.19 1ffe s ARG 20 CO -0.09 -0.27 1.08 -0.25 -0.68 0.00 0.00 175.30 175.09 1ffe n ASP 21 N 4.91 3.52 -0.33 0.23 8.00 -1.25 -1.72 116.55 129.91 1ffe n ASP 21 Ca -0.11 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.14 1ffe n ASP 21 Cb 0.50 -0.46 0.17 0.00 -0.02 0.00 0.00 41.12 41.32 1ffe n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ffe h ASP 22 N 2.61 1.03 -0.09 -2.24 3.32 -1.62 -0.51 116.42 118.91 1ffe h ASP 22 Ca 0.16 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1ffe h ASP 22 Cb 1.15 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1ffe h ASP 22 CO 0.66 0.72 -0.03 0.25 -1.72 0.00 0.00 179.24 179.12 1ffe h LEU 23 N 1.20 0.19 -0.82 1.55 5.85 -1.90 0.22 115.31 121.59 1ffe h LEU 23 Ca 0.36 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1ffe h LEU 23 Cb -0.03 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1ffe h LEU 23 CO -0.10 0.53 0.18 0.40 -0.34 0.00 0.00 178.44 179.11 1ffe h ILE 24 N -0.15 1.25 0.00 4.05 2.04 -1.88 -3.09 117.51 119.74 1ffe h ILE 24 Ca 0.02 -0.91 -0.12 0.00 1.00 0.00 0.00 64.86 64.85 1ffe h ILE 24 Cb 0.45 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1ffe h ILE 24 CO 0.01 0.35 -0.74 0.78 0.00 0.00 0.00 178.15 178.55 1ffe h ASN 25 N 1.02 0.00 -4.05 1.72 2.35 -1.11 -3.48 115.58 112.04 1ffe h ASN 25 Ca 0.22 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.42 1ffe h ASN 25 Cb 0.33 0.00 0.13 0.00 0.05 0.00 0.00 38.32 38.83 1ffe h ASN 25 CO -0.00 0.50 0.59 -0.83 -1.65 0.00 0.00 177.43 176.03 1ffe s GLY 26 N -4.54 2.87 -0.11 2.83 0.00 0.75 -5.00 107.32 104.13 1ffe s GLY 26 Ca 0.02 1.28 -0.26 0.00 0.00 0.00 0.00 44.72 45.76 1ffe s GLY 26 CO 0.76 1.78 0.85 -1.31 0.00 0.00 0.00 173.10 175.19 1ffe s ASN 27 N -1.02 7.07 0.53 1.64 -0.87 -1.26 -4.95 114.94 116.08 1ffe s ASN 27 Ca 0.71 1.31 0.27 0.00 -1.57 0.00 0.00 52.86 53.58 1ffe s ASN 27 Cb -0.39 -2.48 1.50 0.00 -0.02 0.00 0.00 41.25 39.86 1ffe s ASN 27 CO 0.46 -0.33 2.10 0.77 -2.57 0.00 0.00 177.10 177.53 1ffe h SER 28 N 7.09 0.00 0.93 -1.22 4.64 -1.94 -1.50 113.55 121.55 1ffe h SER 28 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1ffe h SER 28 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ffe h SER 28 CO 0.81 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.87 1ffe h ALA 29 N 1.90 1.00 -1.89 5.18 0.00 -1.92 -3.26 119.26 120.27 1ffe h ALA 29 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1ffe h ALA 29 Cb 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.66 1ffe h ALA 29 CO 0.01 0.00 -1.05 -1.13 0.00 0.00 0.00 179.25 177.08 1ffe n SER 30 N -2.76 1.94 -4.76 0.00 3.41 -0.57 -5.11 113.62 105.77 1ffe n SER 30 Ca 0.01 -3.15 -0.39 0.00 -0.26 0.00 0.00 58.87 55.08 1ffe n SER 30 Cb 0.28 -0.58 0.03 0.00 -0.26 0.00 0.00 64.21 63.67 1ffe n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ffe s ARG 32 N -2.65 3.32 0.28 0.00 0.52 -1.26 -4.97 118.95 114.19 1ffe s ARG 32 Ca 0.66 0.88 0.14 0.00 -0.52 0.00 0.00 55.73 56.89 1ffe s ARG 32 Cb -0.43 -2.04 0.20 0.00 0.52 0.00 0.00 34.95 33.20 1ffe s ARG 32 CO 0.53 -0.80 1.50 -0.44 0.02 0.00 0.00 175.30 176.12 1ffe h ASP 33 N -0.37 0.00 -3.66 0.23 3.32 -1.70 -3.42 116.42 110.81 1ffe h ASP 33 Ca -0.44 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.08 1ffe h ASP 33 Cb 1.20 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.43 1ffe h ASP 33 CO 0.59 0.56 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.17 1ffe s VAL 34 N -3.12 1.22 -0.14 -1.35 1.01 -0.91 -0.71 120.40 116.40 1ffe s VAL 34 Ca 0.02 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1ffe s VAL 34 Cb 0.09 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1ffe s VAL 34 CO 0.74 0.36 -0.15 -0.63 0.00 0.00 0.00 175.10 175.42 1ffe s ILE 35 N 0.34 1.61 -0.22 2.22 1.01 -0.54 -0.96 121.20 124.67 1ffe s ILE 35 Ca -0.09 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1ffe s ILE 35 Cb -0.13 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1ffe s ILE 35 CO 0.03 0.47 0.01 0.12 0.00 0.00 0.00 174.94 175.56 1ffe s PHE 36 N 1.29 3.03 -0.18 3.97 5.36 0.10 -1.45 117.98 130.10 1ffe s PHE 36 Ca 0.01 -0.54 -0.02 0.00 -0.96 0.00 0.00 56.93 55.42 1ffe s PHE 36 Cb -0.14 -2.12 -0.00 0.00 -0.34 0.00 0.00 43.02 40.42 1ffe s PHE 36 CO -0.08 -0.33 -0.11 0.42 -1.46 0.00 0.00 175.22 173.67 1ffe s ILE 37 N 1.24 2.98 -0.01 3.12 1.01 -0.71 -0.66 121.20 128.17 1ffe s ILE 37 Ca 0.04 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1ffe s ILE 37 Cb -0.15 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 1ffe s ILE 37 CO 0.01 0.48 -0.13 -0.47 0.00 0.00 0.00 174.94 174.83 1ffe s TYR 38 N 1.09 1.17 -0.16 3.97 5.04 -0.40 -1.98 117.35 126.08 1ffe s TYR 38 Ca 0.00 -0.22 -0.01 0.00 -2.44 0.00 0.00 57.07 54.40 1ffe s TYR 38 Cb -0.15 -0.75 -0.01 0.00 0.35 0.00 0.00 41.96 41.40 1ffe s TYR 38 CO -0.03 -0.02 -0.10 0.00 -1.34 0.00 0.00 175.55 174.06 1ffe s ALA 39 N -0.31 2.68 0.90 3.97 0.00 -0.59 -0.91 121.76 127.52 1ffe s ALA 39 Ca 0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 1ffe s ALA 39 Cb -0.05 -1.37 0.14 0.00 0.00 0.00 0.00 23.12 21.84 1ffe s ALA 39 CO -0.00 0.03 1.17 -0.98 0.00 0.00 0.00 175.76 175.97 1ffe s ARG 40 N 0.71 1.18 0.83 0.00 1.70 -1.26 -2.04 118.95 120.08 1ffe s ARG 40 Ca -0.05 0.16 -0.07 0.00 -0.47 0.00 0.00 55.73 55.29 1ffe s ARG 40 Cb -0.15 -1.86 0.16 0.00 -0.57 0.00 0.00 34.95 32.53 1ffe s ARG 40 CO 0.02 -2.14 1.14 0.20 -1.08 0.00 0.00 175.30 173.44 1ffe s GLY 41 N -4.25 1.77 0.30 3.88 0.00 -1.19 -2.56 107.32 105.26 1ffe s GLY 41 Ca 0.65 -1.51 -0.30 0.00 0.00 0.00 0.00 44.72 43.56 1ffe s GLY 41 CO 0.52 -0.85 1.51 0.00 0.00 0.00 0.00 173.10 174.29 1ffe n ALA 42 N -3.25 2.11 -0.84 3.20 0.00 -1.26 -2.57 120.51 117.90 1ffe n ALA 42 Ca 0.15 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1ffe n ALA 42 Cb 0.60 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1ffe n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ffe n THR 43 N 1.71 0.00 -1.88 0.00 -1.04 -0.17 -4.96 114.28 107.94 1ffe n THR 43 Ca 0.08 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.77 1ffe n THR 43 Cb 0.36 -0.63 0.02 0.00 -1.82 0.00 0.00 70.33 68.26 1ffe n THR 43 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1ffe s GLU 44 N -1.25 3.32 0.61 -2.82 2.02 -1.06 -5.05 118.70 114.47 1ffe s GLU 44 Ca 0.00 0.97 -0.05 0.00 0.02 0.00 0.00 54.97 55.91 1ffe s GLU 44 Cb 0.00 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 32.21 1ffe s GLU 44 CO 0.00 -0.79 0.91 0.95 0.02 0.00 0.00 175.26 176.34 1ffe s THR 45 N -2.86 3.24 0.00 3.63 -4.23 -1.26 -4.85 115.64 109.30 1ffe s THR 45 Ca 0.59 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1ffe s THR 45 Cb -0.13 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1ffe s THR 45 CO 0.47 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1ffe n GLY 46 N -2.62 1.91 0.02 3.99 0.00 -1.26 -1.70 105.19 105.53 1ffe n GLY 46 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ffe n GLY 46 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ffe n ASN 47 N -1.17 1.42 -0.00 1.61 2.04 0.09 -4.71 115.26 114.53 1ffe n ASN 47 Ca 0.00 -1.38 0.02 0.00 -0.44 0.00 0.00 54.58 52.78 1ffe n ASN 47 Cb 0.00 -0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 1ffe n ASN 47 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1ffe n LEU 48 N -0.15 0.00 0.00 -4.53 4.77 0.11 -3.56 117.00 113.65 1ffe n LEU 48 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ffe n LEU 48 Cb 0.10 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ffe n LEU 48 CO 0.00 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1ffe n GLY 49 N 2.26 1.06 0.09 -0.72 0.00 -0.69 -2.28 105.19 104.91 1ffe n GLY 49 Ca -0.01 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 1ffe n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ffe h THR 50 N 0.00 1.47 0.01 2.61 1.35 -1.97 -3.39 112.91 112.99 1ffe h THR 50 Ca 0.00 -3.13 -0.33 0.00 -0.55 0.00 0.00 66.41 62.40 1ffe h THR 50 Cb 0.00 2.82 -0.05 0.00 -1.73 0.00 0.00 68.15 69.19 1ffe h THR 50 CO 0.00 0.88 -2.01 0.18 -0.25 0.00 0.00 175.52 174.32 1ffe n LEU 51 N -3.40 0.89 -0.16 3.87 4.77 -1.26 -4.58 117.00 117.13 1ffe n LEU 51 Ca -0.07 0.22 -0.02 0.00 -0.03 0.00 0.00 56.01 56.11 1ffe n LEU 51 Cb 1.00 0.09 0.06 0.00 -2.33 0.00 0.00 43.42 42.24 1ffe n LEU 51 CO 0.50 0.50 0.85 1.23 -1.33 0.00 0.00 177.39 179.14 1ffe h GLY 52 N 3.35 0.53 1.07 -0.72 0.00 -1.64 -2.72 103.07 102.94 1ffe h GLY 52 Ca -0.40 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.03 1ffe h GLY 52 CO 0.05 -0.14 0.52 -2.55 0.00 0.00 0.00 176.54 174.42 1ffe h PRO 53 N 0.12 0.92 -0.56 4.80 0.11 -1.78 -0.84 132.00 134.77 1ffe h PRO 53 Ca 0.26 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 1ffe h PRO 53 Cb 0.39 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1ffe h PRO 53 CO -0.42 0.61 0.03 0.77 -0.21 0.00 0.00 178.00 178.78 1ffe h SER 54 N 0.95 0.94 -0.39 -2.05 0.02 -1.76 -1.39 113.55 109.88 1ffe h SER 54 Ca 0.32 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1ffe h SER 54 Cb 0.09 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1ffe h SER 54 CO -0.10 1.00 -0.02 0.40 -1.14 0.00 0.00 176.83 176.97 1ffe h ILE 55 N 0.86 1.26 -0.33 3.27 2.04 -1.29 -3.10 117.51 120.22 1ffe h ILE 55 Ca 0.16 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 65.01 1ffe h ILE 55 Cb 0.49 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1ffe h ILE 55 CO 0.02 0.35 0.12 0.00 0.00 0.00 0.00 178.15 178.64 1ffe h ALA 56 N 0.87 0.38 -0.78 1.87 0.00 -0.88 -1.84 119.26 118.88 1ffe h ALA 56 Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ffe h ALA 56 Cb 0.51 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1ffe h ALA 56 CO 0.02 -0.27 0.48 0.66 0.00 0.00 0.00 179.25 180.14 1ffe h SER 57 N 0.27 0.92 0.40 0.00 4.64 -1.26 -0.74 113.55 117.78 1ffe h SER 57 Ca 0.15 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.29 1ffe h SER 57 Cb 0.11 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1ffe h SER 57 CO -0.14 0.70 -0.58 0.78 -0.87 0.00 0.00 176.83 176.71 1ffe h ASN 58 N 1.07 0.21 -0.10 4.97 2.35 -1.38 -1.67 115.58 121.02 1ffe h ASN 58 Ca 0.28 -0.11 -0.17 0.00 -0.55 0.00 0.00 56.30 55.74 1ffe h ASN 58 Cb -0.07 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 1ffe h ASN 58 CO -0.06 0.74 -0.56 -0.07 -1.65 0.00 0.00 177.43 175.84 1ffe h LEU 59 N 0.14 0.78 -0.94 1.61 3.38 -0.70 -2.67 115.31 116.90 1ffe h LEU 59 Ca -0.00 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 1ffe h LEU 59 Cb 1.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1ffe h LEU 59 CO 0.09 1.17 0.04 -0.33 0.09 0.00 0.00 178.44 179.50 1ffe h GLU 60 N 0.53 0.82 -0.46 1.13 5.08 -0.95 -0.93 114.58 119.80 1ffe h GLU 60 Ca 0.01 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1ffe h GLU 60 Cb 1.13 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1ffe h GLU 60 CO 0.11 0.79 -0.01 0.77 -1.00 0.00 0.00 179.01 179.68 1ffe h SER 61 N 0.77 0.73 0.12 1.42 0.02 -1.18 0.35 113.55 115.78 1ffe h SER 61 Ca 0.16 -0.17 -0.26 0.00 -0.84 0.00 0.00 61.79 60.67 1ffe h SER 61 Cb 0.40 -0.19 0.03 0.00 0.14 0.00 0.00 62.40 62.78 1ffe h SER 61 CO 0.01 0.80 -1.11 0.00 -1.14 0.00 0.00 176.83 175.40 1ffe h ALA 62 N 1.28 -0.03 -0.00 3.77 0.00 -1.11 -3.37 119.26 119.79 1ffe h ALA 62 Ca 0.14 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1ffe h ALA 62 Cb 0.45 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ffe h ALA 62 CO 0.02 0.58 -0.53 1.19 0.00 0.00 0.00 179.25 180.51 1ffe n PHE 63 N -3.91 0.00 0.00 0.00 3.72 -0.39 -5.11 117.46 111.77 1ffe n PHE 63 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1ffe n PHE 63 Cb 0.93 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 1ffe n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ffe n GLY 64 N 1.24 -0.59 0.37 1.37 0.00 0.12 -3.65 105.19 104.05 1ffe n GLY 64 Ca 0.04 -1.55 0.01 0.00 0.00 0.00 0.00 46.02 44.51 1ffe n GLY 64 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ffe h LYS 65 N 0.00 1.16 -0.01 1.61 3.64 -1.90 -1.72 116.57 119.35 1ffe h LYS 65 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ffe h LYS 65 Cb 0.00 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1ffe h LYS 65 CO 0.00 0.77 -0.10 -0.25 -2.27 0.00 0.00 179.45 177.60 1ffe n ASP 66 N -4.44 1.07 0.05 4.20 9.92 -1.26 -3.83 116.55 122.25 1ffe n ASP 66 Ca 0.12 -1.13 0.11 0.00 -0.53 0.00 0.00 54.79 53.37 1ffe n ASP 66 Cb 0.09 0.03 0.03 0.00 -0.64 0.00 0.00 41.12 40.63 1ffe n ASP 66 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ffe n GLY 67 N 1.23 -1.28 2.91 0.44 0.00 -0.66 -4.52 105.19 103.31 1ffe n GLY 67 Ca 0.17 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 1ffe n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ffe s VAL 68 N -3.25 0.37 -0.18 1.61 0.11 -1.15 -2.14 120.40 115.77 1ffe s VAL 68 Ca 0.02 -0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 58.89 1ffe s VAL 68 Cb 0.13 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1ffe s VAL 68 CO 0.79 0.14 0.01 0.26 -3.33 0.00 0.00 175.10 172.97 1ffe s TRP 69 N 0.35 3.10 -0.22 1.54 0.51 -0.13 -4.89 118.94 119.20 1ffe s TRP 69 Ca -0.04 -0.21 -0.08 0.00 -2.12 0.00 0.00 56.10 53.65 1ffe s TRP 69 Cb -0.07 -2.03 -0.04 0.00 -0.81 0.00 0.00 33.47 30.52 1ffe s TRP 69 CO -0.00 -0.02 0.09 0.42 -0.51 0.00 0.00 176.95 176.92 1ffe s ILE 70 N 0.53 4.68 -0.11 2.03 -1.09 -1.26 -0.72 121.20 125.26 1ffe s ILE 70 Ca -0.01 -0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.34 1ffe s ILE 70 Cb -0.14 -3.16 0.04 0.00 -1.58 0.00 0.00 42.46 37.62 1ffe s ILE 70 CO 0.02 0.38 -0.00 -1.58 -1.23 0.00 0.00 174.94 172.52 1ffe s GLN 71 N 1.08 0.80 0.43 2.79 2.00 0.17 -1.44 119.66 125.49 1ffe s GLN 71 Ca 0.05 -0.10 -0.05 0.00 -2.00 0.00 0.00 55.36 53.26 1ffe s GLN 71 Cb -0.14 -1.39 -0.04 0.00 0.80 0.00 0.00 33.01 32.24 1ffe s GLN 71 CO 0.03 -0.38 0.73 0.20 -0.50 0.00 0.00 175.29 175.37 1ffe s GLY 72 N 1.89 1.55 -0.52 2.59 0.00 -0.70 -1.27 107.32 110.85 1ffe s GLY 72 Ca 0.03 -0.54 -0.21 0.00 0.00 0.00 0.00 44.72 44.00 1ffe s GLY 72 CO -0.06 -0.39 0.76 0.14 0.00 0.00 0.00 173.10 173.54 1ffe s VAL 73 N -2.57 4.67 0.00 1.40 1.01 -0.09 -4.84 120.40 119.98 1ffe s VAL 73 Ca 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1ffe s VAL 73 Cb -0.10 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1ffe s VAL 73 CO 0.41 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 175.18 1ffe n GLY 74 N 5.15 1.44 7.00 4.51 0.00 -1.26 -4.76 105.19 117.27 1ffe n GLY 74 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ffe n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffe n GLY 75 N 5.00 3.61 0.13 -0.02 0.00 -1.26 -1.11 105.19 111.54 1ffe n GLY 75 Ca 0.00 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1ffe n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffe n ALA 76 N 11.91 1.75 -2.57 4.61 0.00 -1.26 -4.58 120.51 130.37 1ffe n ALA 76 Ca 0.00 0.07 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 1ffe n ALA 76 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 1ffe n ALA 76 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ffe s TYR 77 N -3.29 2.34 -2.25 0.00 5.04 -0.26 -4.53 117.35 114.39 1ffe s TYR 77 Ca 0.05 -0.01 0.26 0.00 -2.44 0.00 0.00 57.07 54.93 1ffe s TYR 77 Cb 0.10 -4.60 0.67 0.00 0.35 0.00 0.00 41.96 38.48 1ffe s TYR 77 CO 0.42 -2.00 1.52 0.54 -1.34 0.00 0.00 175.55 174.69 1ffe n ARG 78 N 9.18 1.41 -3.88 4.97 5.12 -1.26 -4.72 116.66 127.48 1ffe n ARG 78 Ca 0.03 -0.95 -0.25 0.00 -1.93 0.00 0.00 57.85 54.75 1ffe n ARG 78 Cb 0.49 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 1ffe n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ffe n ALA 79 N 0.04 -1.87 -2.48 7.54 0.00 -1.26 -4.71 120.51 117.76 1ffe n ALA 79 Ca 0.14 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1ffe n ALA 79 Cb 0.41 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.67 1ffe n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ffe s THR 80 N -3.72 4.37 0.23 0.00 2.01 -1.26 -1.00 115.64 116.27 1ffe s THR 80 Ca 0.14 1.64 -0.12 0.00 0.31 0.00 0.00 61.69 63.66 1ffe s THR 80 Cb -0.07 -4.09 0.31 0.00 0.01 0.00 0.00 72.50 68.66 1ffe s THR 80 CO 0.86 -0.18 1.60 0.25 -0.69 0.00 0.00 174.62 176.45 1ffe h LEU 81 N 9.76 -0.77 -2.66 4.42 5.85 -1.92 -1.14 115.31 128.84 1ffe h LEU 81 Ca -0.25 0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ffe h LEU 81 Cb 1.09 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 1ffe h LEU 81 CO 0.98 -0.26 0.06 1.23 -0.34 0.00 0.00 178.44 180.10 1ffe h GLY 82 N -0.01 0.00 1.90 3.75 0.00 -2.02 -1.92 103.07 104.76 1ffe h GLY 82 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1ffe h GLY 82 CO -0.80 0.00 0.00 1.22 0.00 0.00 0.00 176.54 176.96 1ffe n ASP 83 N -3.37 0.00 0.29 0.19 8.00 -0.43 -2.33 116.55 118.90 1ffe n ASP 83 Ca -0.02 0.41 0.17 0.00 0.71 0.00 0.00 54.79 56.05 1ffe n ASP 83 Cb 0.13 -0.45 0.90 0.00 -0.02 0.00 0.00 41.12 41.68 1ffe n ASP 83 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1ffe h ASN 84 N 0.00 0.00 0.63 -2.24 2.35 -1.51 -2.13 115.58 112.68 1ffe h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ffe h ASN 84 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1ffe h ASN 84 CO 0.00 0.05 -0.22 0.00 -1.65 0.00 0.00 177.43 175.61 1ffe n ALA 85 N -2.20 2.92 -1.42 -0.83 0.00 -0.98 -4.38 120.51 113.61 1ffe n ALA 85 Ca -0.02 -0.25 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 1ffe n ALA 85 Cb 0.18 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.39 1ffe n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ffe s LEU 86 N -2.85 3.25 0.26 0.00 1.43 -0.81 -4.90 118.68 115.05 1ffe s LEU 86 Ca 0.17 1.92 -0.10 0.00 -1.03 0.00 0.00 54.13 55.09 1ffe s LEU 86 Cb 0.19 -4.54 0.39 0.00 0.03 0.00 0.00 46.19 42.26 1ffe s LEU 86 CO 0.58 -1.77 1.50 -2.65 0.23 0.00 0.00 176.35 174.24 1ffe n PRO 87 N -2.84 -0.12 -0.20 1.29 -0.02 -1.26 -0.68 135.00 131.16 1ffe n PRO 87 Ca 0.10 1.49 0.10 0.00 -2.02 0.00 0.00 63.50 63.17 1ffe n PRO 87 Cb 0.52 -2.23 0.26 0.00 -0.02 0.00 0.00 33.50 32.04 1ffe n PRO 87 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ffe n ARG 88 N -5.53 2.15 -0.76 -0.52 1.74 -1.26 -4.91 116.66 107.58 1ffe n ARG 88 Ca 0.14 -1.77 0.00 0.00 -0.77 0.00 0.00 57.85 55.45 1ffe n ARG 88 Cb 0.46 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1ffe n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ffe n GLY 89 N 1.32 0.67 3.84 -0.13 0.00 0.14 -4.73 105.19 106.31 1ffe n GLY 89 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 1ffe n GLY 89 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ffe s THR 90 N -2.29 0.00 0.50 2.61 -1.32 -1.13 -4.22 115.64 109.79 1ffe s THR 90 Ca 0.00 -0.68 -0.05 0.00 -1.21 0.00 0.00 61.69 59.75 1ffe s THR 90 Cb 0.00 -2.70 -0.03 0.00 -1.51 0.00 0.00 72.50 68.26 1ffe s THR 90 CO 0.00 0.00 0.81 -0.94 -2.21 0.00 0.00 174.62 172.28 1ffe s SER 91 N -3.25 6.10 0.20 8.08 1.04 -1.26 -4.74 113.70 119.87 1ffe s SER 91 Ca 0.19 0.86 -0.09 0.00 0.48 0.00 0.00 55.95 57.40 1ffe s SER 91 Cb -0.03 -2.11 0.12 0.00 0.10 0.00 0.00 66.02 64.10 1ffe s SER 91 CO 0.06 -0.69 1.72 0.28 0.98 0.00 0.00 173.24 175.59 1ffe h SER 92 N 0.14 1.07 -0.98 7.02 0.02 -2.00 -2.60 113.55 116.22 1ffe h SER 92 Ca -0.47 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.29 1ffe h SER 92 Cb 1.22 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 63.42 1ffe h SER 92 CO 0.61 1.02 0.65 0.00 -1.14 0.00 0.00 176.83 177.97 1ffe h ALA 93 N 1.09 1.35 -0.48 3.77 0.00 -1.94 -0.98 119.26 122.08 1ffe h ALA 93 Ca 0.22 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1ffe h ALA 93 Cb 0.36 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ffe h ALA 93 CO -0.00 0.57 -0.06 0.00 0.00 0.00 0.00 179.25 179.76 1ffe h ALA 94 N 1.42 0.65 -0.59 0.00 0.00 -1.71 -1.91 119.26 117.12 1ffe h ALA 94 Ca 0.39 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ffe h ALA 94 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1ffe h ALA 94 CO -0.11 0.50 0.30 0.82 0.00 0.00 0.00 179.25 180.76 1ffe h ILE 95 N 0.73 1.20 -0.84 0.00 2.04 -1.08 -1.37 117.51 118.19 1ffe h ILE 95 Ca 0.13 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1ffe h ILE 95 Cb 0.59 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1ffe h ILE 95 CO 0.04 0.23 0.54 -0.09 0.00 0.00 0.00 178.15 178.87 1ffe h ARG 96 N 0.79 1.11 -0.26 2.37 2.43 -1.02 -0.09 114.38 119.72 1ffe h ARG 96 Ca 0.20 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1ffe h ARG 96 Cb 0.09 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1ffe h ARG 96 CO -0.03 0.74 0.01 1.49 -1.51 0.00 0.00 179.97 180.67 1ffe h GLU 97 N 1.14 0.46 -0.32 0.20 4.57 -0.65 -1.47 114.58 118.51 1ffe h GLU 97 Ca 0.30 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 58.20 1ffe h GLU 97 Cb -0.11 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1ffe h GLU 97 CO -0.06 0.62 -0.38 1.98 -1.18 0.00 0.00 179.01 179.99 1ffe h MET 98 N 0.25 0.75 -0.89 1.92 4.05 -0.85 -2.37 114.93 117.79 1ffe h MET 98 Ca 0.08 -0.38 0.00 0.00 -0.28 0.00 0.00 59.70 59.12 1ffe h MET 98 Cb 0.41 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.17 1ffe h MET 98 CO 0.01 1.00 0.57 -0.07 0.23 0.00 0.00 176.91 178.66 1ffe h LEU 99 N 0.62 1.03 -1.32 3.39 3.38 -0.97 -1.80 115.31 119.64 1ffe h LEU 99 Ca 0.06 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1ffe h LEU 99 Cb 0.92 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1ffe h LEU 99 CO 0.08 0.76 0.15 1.23 0.09 0.00 0.00 178.44 180.75 1ffe h GLY 100 N 1.21 0.65 1.14 0.83 0.00 -0.94 -1.02 103.07 104.94 1ffe h GLY 100 Ca 0.32 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1ffe h GLY 100 CO -0.07 0.31 -0.44 1.41 0.00 0.00 0.00 176.54 177.75 1ffe h LEU 101 N 0.61 1.00 -0.68 3.11 3.38 -0.84 0.04 115.31 121.93 1ffe h LEU 101 Ca 0.15 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1ffe h LEU 101 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ffe h LEU 101 CO -0.01 1.29 0.16 -0.26 0.09 0.00 0.00 178.44 179.71 1ffe h PHE 102 N 0.74 1.15 -0.43 1.13 0.04 -1.02 -1.06 116.94 117.49 1ffe h PHE 102 Ca 0.05 -0.14 -0.09 0.00 2.80 0.00 0.00 57.97 60.59 1ffe h PHE 102 Cb 1.04 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 1ffe h PHE 102 CO 0.07 0.95 -0.09 1.96 -0.60 0.00 0.00 178.31 180.59 1ffe h GLN 103 N 1.02 0.76 -0.33 1.51 4.20 -1.04 -1.76 115.11 119.47 1ffe h GLN 103 Ca 0.21 -0.25 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1ffe h GLN 103 Cb 0.38 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1ffe h GLN 103 CO 0.00 0.84 -0.22 0.37 -0.67 0.00 0.00 178.83 179.15 1ffe h GLN 104 N 0.70 0.64 -0.38 1.46 4.15 -0.62 -1.98 115.11 119.08 1ffe h GLN 104 Ca 0.12 -0.25 -0.07 0.00 0.77 0.00 0.00 58.65 59.23 1ffe h GLN 104 Cb 0.56 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1ffe h GLN 104 CO 0.03 0.82 -0.03 0.00 -1.93 0.00 0.00 178.83 177.72 1ffe h ALA 105 N 1.19 0.51 -0.64 3.38 0.00 -0.91 -0.71 119.26 122.09 1ffe h ALA 105 Ca 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1ffe h ALA 105 Cb 0.69 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1ffe h ALA 105 CO 0.05 0.32 0.26 -0.97 0.00 0.00 0.00 179.25 178.91 1ffe h ASN 106 N 0.50 0.84 0.18 0.00 -1.24 -1.13 0.65 115.58 115.39 1ffe h ASN 106 Ca 0.10 -0.11 -0.28 0.00 0.71 0.00 0.00 56.30 56.72 1ffe h ASN 106 Cb 0.52 -0.22 0.02 0.00 0.73 0.00 0.00 38.32 39.37 1ffe h ASN 106 CO 0.03 0.75 -1.31 0.71 -1.29 0.00 0.00 177.43 176.31 1ffe h THR 107 N 0.91 1.24 -0.31 -3.57 1.35 -1.30 -3.17 112.91 108.07 1ffe h THR 107 Ca 0.22 -2.56 -0.10 0.00 -0.55 0.00 0.00 66.41 63.42 1ffe h THR 107 Cb 0.17 2.98 -0.01 0.00 -1.73 0.00 0.00 68.15 69.56 1ffe h THR 107 CO -0.02 0.77 -0.19 0.50 -0.25 0.00 0.00 175.52 176.33 1ffe h LYS 108 N -0.11 0.67 -2.47 4.72 3.64 -1.10 -3.39 116.57 118.54 1ffe h LYS 108 Ca -0.25 -0.31 -0.59 0.00 -1.27 0.00 0.00 60.65 58.23 1ffe h LYS 108 Cb 1.92 -0.01 -0.39 0.00 -0.41 0.00 0.00 32.23 33.33 1ffe h LYS 108 CO 0.18 0.91 -0.87 0.00 -2.27 0.00 0.00 179.45 177.40 1ffe h PRO 110 N 5.21 0.00 -0.02 0.00 0.11 -1.70 -2.39 132.00 133.20 1ffe h PRO 110 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1ffe h PRO 110 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1ffe h PRO 110 CO 0.51 0.00 -0.07 -0.25 -0.21 0.00 0.00 178.00 177.97 1ffe n ASP 111 N -4.19 2.33 -4.79 -2.05 8.00 -1.26 -4.96 116.55 109.64 1ffe n ASP 111 Ca 0.08 -1.73 -0.36 0.00 0.71 0.00 0.00 54.79 53.49 1ffe n ASP 111 Cb 0.56 0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.68 1ffe n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ffe s ALA 112 N -2.09 3.03 -0.03 2.24 0.00 -0.90 -5.00 121.76 119.01 1ffe s ALA 112 Ca 0.30 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 52.73 1ffe s ALA 112 Cb 0.20 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 1ffe s ALA 112 CO 0.36 -0.23 0.55 0.99 0.00 0.00 0.00 175.76 177.42 1ffe s THR 113 N -1.75 4.98 0.14 0.00 2.01 0.11 -4.93 115.64 116.20 1ffe s THR 113 Ca 0.60 1.13 0.03 0.00 0.31 0.00 0.00 61.69 63.76 1ffe s THR 113 Cb -0.20 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1ffe s THR 113 CO 0.25 0.42 0.23 -0.76 -0.69 0.00 0.00 174.62 174.07 1ffe s LEU 114 N -0.14 4.19 0.03 4.42 1.43 -0.74 -1.47 118.68 126.40 1ffe s LEU 114 Ca 0.29 0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.43 1ffe s LEU 114 Cb -0.17 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 1ffe s LEU 114 CO 0.15 0.08 0.12 0.27 0.23 0.00 0.00 176.35 177.20 1ffe s ILE 115 N -1.70 0.11 0.18 -0.59 -4.36 -0.53 -0.74 121.20 113.58 1ffe s ILE 115 Ca 0.33 -0.95 -0.07 0.00 -0.26 0.00 0.00 60.65 59.71 1ffe s ILE 115 Cb -0.11 -0.76 -0.02 0.00 1.25 0.00 0.00 42.46 42.82 1ffe s ILE 115 CO 0.27 -0.52 0.25 0.00 0.24 0.00 0.00 174.94 175.18 1ffe s ALA 116 N -2.26 0.30 0.10 2.27 0.00 -0.82 -1.73 121.76 119.61 1ffe s ALA 116 Ca -0.08 -1.12 -0.26 0.00 0.00 0.00 0.00 51.96 50.50 1ffe s ALA 116 Cb -0.03 0.99 0.08 0.00 0.00 0.00 0.00 23.12 24.16 1ffe s ALA 116 CO -0.03 -0.65 0.92 0.20 0.00 0.00 0.00 175.76 176.20 1ffe s GLY 117 N -3.02 -0.33 -0.08 0.00 0.00 -0.84 -1.62 107.32 101.43 1ffe s GLY 117 Ca 0.23 0.46 -0.30 0.00 0.00 0.00 0.00 44.72 45.11 1ffe s GLY 117 CO 0.04 0.13 0.86 -0.32 0.00 0.00 0.00 173.10 173.81 1ffe s GLY 118 N -2.77 -0.42 -0.09 0.20 0.00 -0.76 -1.54 107.32 101.96 1ffe s GLY 118 Ca 0.09 1.54 0.04 0.00 0.00 0.00 0.00 44.72 46.39 1ffe s GLY 118 CO -0.02 0.83 -0.20 -0.47 0.00 0.00 0.00 173.10 173.24 1ffe s TYR 119 N -1.65 2.17 0.00 1.90 5.04 -0.87 -1.19 117.35 122.75 1ffe s TYR 119 Ca -0.03 -0.85 0.00 0.00 -2.44 0.00 0.00 57.07 53.75 1ffe s TYR 119 Cb -0.00 -1.48 0.00 0.00 0.35 0.00 0.00 41.96 40.83 1ffe s TYR 119 CO 0.01 -0.36 0.00 0.45 -1.34 0.00 0.00 175.55 174.32 1ffe n SER 120 N 3.59 0.00 -0.02 4.32 2.88 -0.23 -0.31 113.62 123.85 1ffe n SER 120 Ca -0.20 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.38 1ffe n SER 120 Cb 0.53 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.41 1ffe n SER 120 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1ffe h GLN 121 N 0.00 0.55 -0.01 -1.46 4.15 -1.85 0.07 115.11 116.56 1ffe h GLN 121 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1ffe h GLN 121 Cb 0.00 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.56 1ffe h GLN 121 CO 0.00 0.36 -0.04 0.78 -1.93 0.00 0.00 178.83 178.01 1ffe h GLY 122 N 0.57 0.01 1.18 2.39 0.00 -0.38 0.99 103.07 107.84 1ffe h GLY 122 Ca 0.17 -0.01 -0.21 0.00 0.00 0.00 0.00 47.33 47.28 1ffe h GLY 122 CO -0.04 0.01 -0.71 0.00 0.00 0.00 0.00 176.54 175.79 1ffe h ALA 123 N 1.95 0.36 -0.64 3.60 0.00 -0.95 0.02 119.26 123.60 1ffe h ALA 123 Ca 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 1ffe h ALA 123 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ffe h ALA 123 CO 0.00 0.68 0.06 0.00 0.00 0.00 0.00 179.25 180.00 1ffe h ALA 124 N 0.60 0.86 -0.33 0.00 0.00 -1.05 -1.36 119.26 117.98 1ffe h ALA 124 Ca -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ffe h ALA 124 Cb 1.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ffe h ALA 124 CO 0.15 0.66 0.17 1.25 0.00 0.00 0.00 179.25 181.47 1ffe h LEU 125 N 1.00 0.42 -0.50 0.00 5.85 -0.71 0.44 115.31 121.82 1ffe h LEU 125 Ca 0.19 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ffe h LEU 125 Cb 0.49 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1ffe h LEU 125 CO 0.02 0.41 0.33 0.00 -0.34 0.00 0.00 178.44 178.86 1ffe h ALA 126 N 1.03 0.63 -0.48 1.25 0.00 -0.79 -0.19 119.26 120.71 1ffe h ALA 126 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ffe h ALA 126 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1ffe h ALA 126 CO -0.02 0.08 0.18 0.00 0.00 0.00 0.00 179.25 179.50 1ffe h ALA 127 N 1.18 0.63 -0.43 0.00 0.00 -1.02 -0.79 119.26 118.82 1ffe h ALA 127 Ca 0.18 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ffe h ALA 127 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1ffe h ALA 127 CO -0.04 0.25 0.06 0.00 0.00 0.00 0.00 179.25 179.52 1ffe h ALA 128 N 1.03 0.58 -0.05 0.00 0.00 -0.66 -1.61 119.26 118.55 1ffe h ALA 128 Ca 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ffe h ALA 128 Cb 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ffe h ALA 128 CO -0.01 0.31 0.03 0.77 0.00 0.00 0.00 179.25 180.35 1ffe h SER 129 N 0.58 0.06 -0.69 0.00 0.02 -0.85 -2.39 113.55 110.28 1ffe h SER 129 Ca 0.13 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1ffe h SER 129 Cb 0.40 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1ffe h SER 129 CO 0.01 0.11 0.37 0.40 -1.14 0.00 0.00 176.83 176.59 1ffe h ILE 130 N -0.00 1.21 -0.69 3.27 2.04 -1.12 -0.57 117.51 121.66 1ffe h ILE 130 Ca 0.02 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1ffe h ILE 130 Cb 0.07 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1ffe h ILE 130 CO -0.00 0.24 0.21 -0.08 0.00 0.00 0.00 178.15 178.52 1ffe h GLU 131 N 0.99 1.06 0.00 2.37 4.81 -1.13 -3.07 114.58 119.61 1ffe h GLU 131 Ca 0.25 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ffe h GLU 131 Cb 0.04 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1ffe h GLU 131 CO -0.04 0.91 -0.34 -0.44 -0.73 0.00 0.00 179.01 178.37 1ffe h ASP 132 N 1.02 0.00 -4.01 1.04 3.32 -0.89 -3.48 116.42 113.43 1ffe h ASP 132 Ca 0.22 -0.02 -0.55 0.00 0.02 0.00 0.00 57.03 56.71 1ffe h ASP 132 Cb 0.29 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.97 1ffe h ASP 132 CO -0.01 0.01 0.69 -0.22 -1.72 0.00 0.00 179.24 177.99 1ffe s LEU 133 N -5.53 4.05 0.41 1.55 2.96 -0.28 -4.94 118.68 116.90 1ffe s LEU 133 Ca 0.05 2.90 -0.26 0.00 -0.22 0.00 0.00 54.13 56.61 1ffe s LEU 133 Cb 0.08 -4.01 -0.08 0.00 0.50 0.00 0.00 46.19 42.67 1ffe s LEU 133 CO 0.70 -1.29 1.25 1.51 -1.32 0.00 0.00 176.35 177.19 1ffe s ASP 134 N -0.59 6.38 0.34 3.68 -4.77 -1.26 -4.76 116.67 115.68 1ffe s ASP 134 Ca 0.64 2.52 0.11 0.00 -3.30 0.00 0.00 52.55 52.52 1ffe s ASP 134 Cb -0.43 -2.63 0.91 0.00 -1.09 0.00 0.00 42.92 39.68 1ffe s ASP 134 CO 0.55 -0.79 1.76 0.77 0.70 0.00 0.00 175.17 178.16 1ffe h SER 135 N 2.64 0.63 -0.64 2.11 4.64 -1.95 -1.70 113.55 119.28 1ffe h SER 135 Ca -0.49 0.11 0.02 0.00 -0.47 0.00 0.00 61.79 60.96 1ffe h SER 135 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 1ffe h SER 135 CO 0.62 0.15 0.42 0.00 -0.87 0.00 0.00 176.83 177.16 1ffe h ALA 136 N 1.67 1.61 0.15 5.18 0.00 -1.99 -0.01 119.26 125.86 1ffe h ALA 136 Ca 0.60 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 55.20 1ffe h ALA 136 Cb 1.21 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1ffe h ALA 136 CO -0.38 0.34 -1.33 0.82 0.00 0.00 0.00 179.25 178.69 1ffe h ILE 137 N 0.80 1.15 -0.94 0.00 2.04 -1.71 -3.34 117.51 115.51 1ffe h ILE 137 Ca 0.25 -2.48 0.10 0.00 1.00 0.00 0.00 64.86 63.73 1ffe h ILE 137 Cb 0.01 2.86 -0.07 0.00 -0.74 0.00 0.00 36.82 38.88 1ffe h ILE 137 CO -0.06 0.74 0.60 -0.09 0.00 0.00 0.00 178.15 179.34 1ffe h ARG 138 N -0.22 0.93 0.00 2.37 2.43 -1.10 -0.52 114.38 118.28 1ffe h ARG 138 Ca -0.27 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1ffe h ARG 138 Cb 1.82 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 1ffe h ARG 138 CO 0.12 0.61 0.00 -0.25 -1.51 0.00 0.00 179.97 178.94 1ffe n ASP 139 N -4.55 0.13 0.01 -3.80 8.00 -0.04 -1.75 116.55 114.55 1ffe n ASP 139 Ca 0.16 0.54 0.12 0.00 0.71 0.00 0.00 54.79 56.32 1ffe n ASP 139 Cb 0.31 -0.56 0.30 0.00 -0.02 0.00 0.00 41.12 41.15 1ffe n ASP 139 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ffe n LYS 140 N -1.65 0.06 -2.63 -1.24 5.02 -0.20 -4.72 118.16 112.79 1ffe n LYS 140 Ca 0.03 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 1ffe n LYS 140 Cb 0.15 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1ffe n LYS 140 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ffe s ILE 141 N -3.03 3.91 0.35 -0.18 1.01 -0.72 -1.79 121.20 120.75 1ffe s ILE 141 Ca 0.11 0.32 0.24 0.00 0.00 0.00 0.00 60.65 61.32 1ffe s ILE 141 Cb 0.17 -4.83 0.25 0.00 0.01 0.00 0.00 42.46 38.05 1ffe s ILE 141 CO 0.67 -1.68 1.98 0.00 0.00 0.00 0.00 174.94 175.91 1ffe h ALA 142 N 9.84 1.25 -1.64 9.38 0.00 -1.22 -3.46 119.26 133.41 1ffe h ALA 142 Ca -0.28 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1ffe h ALA 142 Cb 1.06 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.59 1ffe h ALA 142 CO 1.24 0.23 0.47 0.20 0.00 0.00 0.00 179.25 181.39 1ffe s GLY 143 N -4.23 -0.31 -0.02 0.00 0.00 -1.26 -4.77 107.32 96.73 1ffe s GLY 143 Ca -0.02 1.99 0.01 0.00 0.00 0.00 0.00 44.72 46.70 1ffe s GLY 143 CO 0.62 1.13 -0.03 -1.59 0.00 0.00 0.00 173.10 173.23 1ffe s THR 144 N -0.93 0.36 -0.09 0.90 2.01 -0.14 -1.95 115.64 115.79 1ffe s THR 144 Ca -0.03 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1ffe s THR 144 Cb -0.01 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1ffe s THR 144 CO 0.02 0.15 -0.13 0.68 -0.69 0.00 0.00 174.62 174.65 1ffe s VAL 145 N 0.52 3.14 -0.10 3.82 -7.23 -0.64 -1.43 120.40 118.47 1ffe s VAL 145 Ca -0.06 -0.66 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 1ffe s VAL 145 Cb -0.09 -2.28 0.02 0.00 0.56 0.00 0.00 36.38 34.59 1ffe s VAL 145 CO -0.01 0.56 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.45 1ffe s LEU 146 N -0.20 1.62 -0.09 1.32 1.43 -0.38 -1.82 118.68 120.56 1ffe s LEU 146 Ca 0.01 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1ffe s LEU 146 Cb -0.13 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1ffe s LEU 146 CO 0.03 -0.00 -0.06 -0.36 0.23 0.00 0.00 176.35 176.19 1ffe s PHE 147 N 1.03 2.96 -1.37 0.29 0.40 -0.33 -0.31 117.98 120.65 1ffe s PHE 147 Ca -0.06 -0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1ffe s PHE 147 Cb -0.15 -1.77 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 1ffe s PHE 147 CO -0.02 0.23 0.49 0.41 0.70 0.00 0.00 175.22 177.03 1ffe n GLY 148 N 2.57 -0.29 3.58 4.36 0.00 -0.14 -1.06 105.19 114.21 1ffe n GLY 148 Ca -0.18 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1ffe n GLY 148 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ffe s TYR 149 N -3.88 1.32 0.27 1.61 5.04 -1.26 -3.20 117.35 117.26 1ffe s TYR 149 Ca 0.04 0.91 0.36 0.00 -2.44 0.00 0.00 57.07 55.94 1ffe s TYR 149 Cb -0.01 -3.88 1.80 0.00 0.35 0.00 0.00 41.96 40.22 1ffe s TYR 149 CO 0.87 -3.16 2.10 1.79 -1.34 0.00 0.00 175.55 175.82 1ffe h THR 150 N 7.22 0.00 -0.34 4.34 1.35 -1.75 -1.71 112.91 122.02 1ffe h THR 150 Ca -0.32 -0.19 -0.08 0.00 -0.55 0.00 0.00 66.41 65.27 1ffe h THR 150 Cb 1.22 1.11 -0.05 0.00 -1.73 0.00 0.00 68.15 68.71 1ffe h THR 150 CO 1.07 0.00 0.02 0.29 -0.25 0.00 0.00 175.52 176.65 1ffe n LYS 151 N -2.91 2.71 -0.01 4.72 4.76 -1.26 -4.76 118.16 121.41 1ffe n LYS 151 Ca -0.01 -2.96 -0.10 0.00 -2.87 0.00 0.00 58.31 52.37 1ffe n LYS 151 Cb 0.16 -1.88 -0.04 0.00 -1.84 0.00 0.00 35.03 31.43 1ffe n LYS 151 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1ffe h ASN 152 N 1.66 -0.19 -0.07 4.39 -1.24 -1.54 0.09 115.58 118.68 1ffe h ASN 152 Ca 0.09 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 1ffe h ASN 152 Cb 1.61 0.11 -0.00 0.00 0.73 0.00 0.00 38.32 40.77 1ffe h ASN 152 CO 0.33 -0.08 -0.03 0.25 -1.29 0.00 0.00 177.43 176.61 1ffe h LEU 153 N -0.05 0.15 -1.06 0.34 5.85 -1.83 0.13 115.31 118.84 1ffe h LEU 153 Ca 0.07 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.44 1ffe h LEU 153 Cb 0.15 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 1ffe h LEU 153 CO -0.15 0.53 0.63 1.56 -0.34 0.00 0.00 178.44 180.66 1ffe h GLN 154 N -0.23 1.10 -0.58 1.25 7.50 -1.87 -1.90 115.11 120.39 1ffe h GLN 154 Ca 0.02 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1ffe h GLN 154 Cb 0.47 -0.25 0.00 0.00 0.05 0.00 0.00 27.48 27.75 1ffe h GLN 154 CO 0.01 0.73 0.00 0.09 -1.50 0.00 0.00 178.83 178.16 1ffe n ASN 155 N -4.49 3.50 -3.85 1.46 3.02 0.01 -4.97 115.26 109.95 1ffe n ASN 155 Ca 0.15 -1.99 -0.28 0.00 -0.03 0.00 0.00 54.58 52.43 1ffe n ASN 155 Cb 0.18 -0.38 0.03 0.00 -0.61 0.00 0.00 39.78 39.00 1ffe n ASN 155 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ffe n ARG 156 N 1.44 -5.71 -1.12 3.52 5.12 -0.59 -1.89 116.66 117.43 1ffe n ARG 156 Ca 0.22 0.63 -0.04 0.00 -1.93 0.00 0.00 57.85 56.72 1ffe n ARG 156 Cb 0.57 -5.49 -0.02 0.00 -1.16 0.00 0.00 32.46 26.37 1ffe n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ffe n GLY 157 N -1.71 0.67 3.53 -0.13 0.00 0.35 -5.01 105.19 102.90 1ffe n GLY 157 Ca -0.01 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 1ffe n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ffe s ARG 158 N -1.78 1.79 -0.21 1.61 1.81 -0.79 -4.90 118.95 116.48 1ffe s ARG 158 Ca 0.00 -1.94 -0.05 0.00 -1.72 0.00 0.00 55.73 52.02 1ffe s ARG 158 Cb 0.00 -1.54 -0.02 0.00 -0.45 0.00 0.00 34.95 32.94 1ffe s ARG 158 CO 0.00 0.06 0.01 0.42 -0.68 0.00 0.00 175.30 175.11 1ffe s ILE 159 N -2.75 3.92 0.25 1.52 1.01 -1.26 -4.78 121.20 119.11 1ffe s ILE 159 Ca 0.33 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 1ffe s ILE 159 Cb 0.05 -2.79 -0.14 0.00 0.01 0.00 0.00 42.46 39.59 1ffe s ILE 159 CO 0.16 0.41 1.28 -2.65 0.00 0.00 0.00 174.94 174.14 1ffe n PRO 160 N 4.44 1.79 -1.19 2.79 -0.02 -1.26 -2.12 135.00 139.44 1ffe n PRO 160 Ca -0.17 0.64 -0.07 0.00 -2.02 0.00 0.00 63.50 61.88 1ffe n PRO 160 Cb 0.52 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1ffe n PRO 160 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ffe n ASN 161 N 1.74 -4.69 -4.09 2.55 3.02 -1.26 -4.20 115.26 108.34 1ffe n ASN 161 Ca 0.11 0.16 -0.23 0.00 -0.03 0.00 0.00 54.58 54.59 1ffe n ASN 161 Cb 0.31 -2.76 -0.16 0.00 -0.61 0.00 0.00 39.78 36.56 1ffe n ASN 161 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ffe s TYR 162 N -1.94 1.35 0.47 3.10 5.04 -0.90 -5.02 117.35 119.45 1ffe s TYR 162 Ca 0.00 -0.33 -0.24 0.00 -2.44 0.00 0.00 57.07 54.05 1ffe s TYR 162 Cb 0.00 -0.91 -0.07 0.00 0.35 0.00 0.00 41.96 41.33 1ffe s TYR 162 CO 0.00 -0.10 1.37 -1.25 -1.34 0.00 0.00 175.55 174.23 1ffe s PRO 163 N -0.04 3.58 0.31 4.97 0.04 -1.26 -4.56 135.00 138.03 1ffe s PRO 163 Ca -0.00 2.28 0.03 0.00 0.04 0.00 0.00 61.00 63.35 1ffe s PRO 163 Cb -0.09 -2.54 0.53 0.00 0.04 0.00 0.00 34.50 32.44 1ffe s PRO 163 CO 0.01 -0.86 1.83 0.00 0.04 0.00 0.00 177.00 178.02 1ffe h ALA 164 N 2.11 1.28 0.00 8.56 0.00 -1.93 -2.58 119.26 126.70 1ffe h ALA 164 Ca -0.51 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1ffe h ALA 164 Cb 1.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ffe h ALA 164 CO 0.60 0.48 0.00 0.38 0.00 0.00 0.00 179.25 180.71 1ffe h ASP 165 N 0.53 0.00 -0.35 0.00 2.03 -2.01 -2.01 116.42 114.61 1ffe h ASP 165 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1ffe h ASP 165 Cb 0.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1ffe h ASP 165 CO 0.02 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.77 1ffe n ARG 166 N -2.77 2.36 -4.76 4.15 1.74 -0.98 -4.94 116.66 111.47 1ffe n ARG 166 Ca 0.00 -2.17 -0.33 0.00 -0.77 0.00 0.00 57.85 54.59 1ffe n ARG 166 Cb 0.23 -1.46 -0.13 0.00 -1.02 0.00 0.00 32.46 30.07 1ffe n ARG 166 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ffe s THR 167 N -1.40 3.23 -0.08 0.55 2.01 -0.76 -0.97 115.64 118.22 1ffe s THR 167 Ca 0.35 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1ffe s THR 167 Cb 0.21 -2.32 0.03 0.00 0.01 0.00 0.00 72.50 70.42 1ffe s THR 167 CO 0.29 0.56 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.98 1ffe s LYS 168 N -0.23 1.05 -0.14 4.92 2.20 -0.52 -4.96 119.74 122.06 1ffe s LYS 168 Ca 0.01 -0.08 -0.03 0.00 -0.36 0.00 0.00 55.97 55.51 1ffe s LYS 168 Cb -0.13 -1.22 -0.03 0.00 -1.51 0.00 0.00 37.83 34.95 1ffe s LYS 168 CO 0.03 -0.24 -0.03 0.08 -0.36 0.00 0.00 175.35 174.82 1ffe s VAL 169 N 1.67 3.98 -0.37 4.02 1.01 -1.26 -1.24 120.40 128.21 1ffe s VAL 169 Ca 0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1ffe s VAL 169 Cb -0.13 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.60 1ffe s VAL 169 CO -0.05 0.51 0.14 -0.36 0.00 0.00 0.00 175.10 175.34 1ffe s PHE 170 N 0.13 3.42 -0.21 5.22 0.08 0.57 -4.97 117.98 122.23 1ffe s PHE 170 Ca -0.01 -2.01 -0.01 0.00 0.12 0.00 0.00 56.93 55.03 1ffe s PHE 170 Cb -0.13 -2.75 0.06 0.00 -0.57 0.00 0.00 43.02 39.62 1ffe s PHE 170 CO 0.03 -0.88 -0.02 0.00 -0.10 0.00 0.00 175.22 174.25 1ffe s ASN 172 N 1.59 6.24 0.15 0.00 0.01 -1.26 -4.98 114.94 116.69 1ffe s ASN 172 Ca -0.03 2.11 -0.31 0.00 -0.71 0.00 0.00 52.86 53.91 1ffe s ASN 172 Cb -0.18 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 38.81 1ffe s ASN 172 CO -0.07 -0.86 1.52 -0.89 -1.51 0.00 0.00 177.10 175.30 1ffe s THR 173 N -1.75 2.80 0.00 1.60 2.01 -1.26 -1.50 115.64 117.54 1ffe s THR 173 Ca 0.66 0.57 0.00 0.00 0.31 0.00 0.00 61.69 63.23 1ffe s THR 173 Cb -0.23 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1ffe s THR 173 CO 0.27 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 1ffe n GLY 174 N 3.69 0.85 3.49 4.40 0.00 -1.26 -4.86 105.19 111.50 1ffe n GLY 174 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1ffe n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ffe s ASP 175 N -2.90 6.24 0.58 1.61 -1.08 -0.57 -4.56 116.67 115.99 1ffe s ASP 175 Ca 0.00 -0.98 0.28 0.00 -0.52 0.00 0.00 52.55 51.32 1ffe s ASP 175 Cb 0.00 -2.47 1.54 0.00 -1.46 0.00 0.00 42.92 40.53 1ffe s ASP 175 CO 0.00 -1.52 2.01 -0.07 0.52 0.00 0.00 175.17 176.11 1ffe h LEU 176 N 11.84 0.00 -1.85 -1.34 3.38 -1.88 -1.59 115.31 123.87 1ffe h LEU 176 Ca -0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1ffe h LEU 176 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ffe h LEU 176 CO 1.22 0.00 -0.01 -0.37 0.09 0.00 0.00 178.44 179.37 1ffe h VAL 177 N 0.00 0.05 0.00 1.22 -1.51 -1.71 -1.92 116.25 112.39 1ffe h VAL 177 Ca 0.16 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1ffe h VAL 177 Cb 0.82 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1ffe h VAL 177 CO -0.00 0.01 -0.16 0.00 -1.23 0.00 0.00 177.57 176.19 1ffe n THR 179 N -1.91 2.44 -0.45 0.00 -2.24 -0.78 -3.40 114.28 107.95 1ffe n THR 179 Ca 0.06 -2.80 0.00 0.00 -2.27 0.00 0.00 64.05 59.04 1ffe n THR 179 Cb 0.39 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1ffe n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ffe n GLY 180 N -1.10 0.75 3.89 3.38 0.00 -1.23 -4.97 105.19 105.91 1ffe n GLY 180 Ca 0.29 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 1ffe n GLY 180 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ffe s SER 181 N -2.52 5.33 0.00 1.61 0.15 -0.87 -5.03 113.70 112.37 1ffe s SER 181 Ca 0.00 -0.53 0.06 0.00 0.70 0.00 0.00 55.95 56.18 1ffe s SER 181 Cb 0.00 -0.86 0.15 0.00 -1.71 0.00 0.00 66.02 63.61 1ffe s SER 181 CO 0.00 -0.49 1.09 0.18 1.20 0.00 0.00 173.24 175.22 1ffe n LEU 182 N -1.50 2.40 -4.73 3.45 4.77 -1.26 -3.84 117.00 116.28 1ffe n LEU 182 Ca 0.01 -1.91 -0.41 0.00 -0.03 0.00 0.00 56.01 53.67 1ffe n LEU 182 Cb 0.60 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1ffe n LEU 182 CO 0.42 0.59 0.73 -0.63 -1.33 0.00 0.00 177.39 177.17 1ffe s ILE 183 N -0.95 4.21 -0.40 -0.08 -1.09 -1.26 -4.97 121.20 116.66 1ffe s ILE 183 Ca 0.12 1.87 -0.16 0.00 -2.23 0.00 0.00 60.65 60.24 1ffe s ILE 183 Cb 0.06 -4.19 0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1ffe s ILE 183 CO 0.08 0.30 0.39 -0.69 -1.23 0.00 0.00 174.94 173.79 1ffe s VAL 184 N -0.10 5.15 0.43 2.92 1.01 -1.26 -4.06 120.40 124.49 1ffe s VAL 184 Ca 0.48 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1ffe s VAL 184 Cb -0.26 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1ffe s VAL 184 CO 0.32 -0.33 0.26 0.00 0.00 0.00 0.00 175.10 175.35 1ffe s ALA 185 N 1.99 3.85 0.27 5.51 0.00 -1.26 -5.03 121.76 127.09 1ffe s ALA 185 Ca 0.10 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1ffe s ALA 185 Cb -0.17 -0.60 0.59 0.00 0.00 0.00 0.00 23.12 22.93 1ffe s ALA 185 CO 0.12 -0.22 1.74 0.00 0.00 0.00 0.00 175.76 177.40 1ffe h ALA 186 N 1.22 1.30 -0.03 0.00 0.00 -1.97 -1.63 119.26 118.13 1ffe h ALA 186 Ca -0.42 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ffe h ALA 186 Cb 1.26 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ffe h ALA 186 CO 0.65 -0.19 0.05 -1.35 0.00 0.00 0.00 179.25 178.41 1ffe h PRO 187 N 0.52 0.00 0.00 0.00 0.11 -1.89 -1.19 132.00 129.55 1ffe h PRO 187 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1ffe h PRO 187 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1ffe h PRO 187 CO -0.42 0.00 0.00 1.25 -0.21 0.00 0.00 178.00 178.62 1ffe h HIS 188 N 0.00 0.00 -0.46 0.65 2.76 -1.59 -2.65 115.15 113.86 1ffe h HIS 188 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1ffe h HIS 188 Cb 0.12 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1ffe h HIS 188 CO 0.00 0.00 0.00 1.28 -1.30 0.00 0.00 177.93 177.91 1ffe n LEU 189 N -3.00 4.56 -2.13 0.26 4.32 -0.45 -4.61 117.00 115.95 1ffe n LEU 189 Ca 0.00 -2.75 -0.27 0.00 -0.02 0.00 0.00 56.01 52.97 1ffe n LEU 189 Cb 0.26 -0.56 0.03 0.00 -1.62 0.00 0.00 43.42 41.53 1ffe n LEU 189 CO 0.25 0.70 0.44 0.00 -1.22 0.00 0.00 177.39 177.56 1ffe n ALA 190 N 0.32 5.29 0.54 -1.18 0.00 -1.00 -4.69 120.51 119.80 1ffe n ALA 190 Ca 0.23 -3.79 0.12 0.00 0.00 0.00 0.00 53.44 50.00 1ffe n ALA 190 Cb 0.94 -0.63 0.20 0.00 0.00 0.00 0.00 19.45 19.96 1ffe n ALA 190 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ffe n TYR 191 N -0.72 0.36 -0.11 0.00 4.01 -1.26 -4.61 117.16 114.82 1ffe n TYR 191 Ca 0.47 -0.18 -0.09 0.00 -0.16 0.00 0.00 57.90 57.94 1ffe n TYR 191 Cb 0.87 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.87 1ffe n TYR 191 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ffe h GLY 192 N 4.61 -0.42 0.80 2.72 0.00 -1.98 -1.55 103.07 107.26 1ffe h GLY 192 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 47.33 47.88 1ffe h GLY 192 CO 0.00 -0.20 0.59 -2.55 0.00 0.00 0.00 176.54 174.38 1ffe h PRO 193 N -0.30 0.96 -0.58 4.80 0.11 -2.00 -2.09 132.00 132.90 1ffe h PRO 193 Ca 0.15 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 1ffe h PRO 193 Cb 0.57 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1ffe h PRO 193 CO -0.54 0.64 0.15 -0.44 -0.21 0.00 0.00 178.00 177.60 1ffe h ASP 194 N 0.99 0.87 0.53 -2.05 3.32 -1.68 -1.83 116.42 116.58 1ffe h ASP 194 Ca 0.40 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1ffe h ASP 194 Cb 0.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1ffe h ASP 194 CO -0.16 0.87 -0.20 0.00 -1.72 0.00 0.00 179.24 178.03 1ffe h ALA 195 N 1.04 1.22 0.00 3.45 0.00 -0.75 -1.20 119.26 123.01 1ffe h ALA 195 Ca 0.18 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1ffe h ALA 195 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ffe h ALA 195 CO -0.00 0.25 -0.94 0.00 0.00 0.00 0.00 179.25 178.56 1ffe h ARG 196 N 0.00 0.00 0.00 0.00 3.08 -0.93 -3.30 114.38 113.23 1ffe h ARG 196 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ffe h ARG 196 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1ffe h ARG 196 CO 0.03 0.43 0.00 0.41 -1.07 0.00 0.00 179.97 179.76 1ffe n GLY 197 N 1.31 0.17 0.36 0.04 0.00 -0.73 -4.86 105.19 101.48 1ffe n GLY 197 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1ffe n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ffe h PRO 198 N 0.00 0.57 0.56 1.61 0.13 -1.75 -1.36 132.00 131.76 1ffe h PRO 198 Ca 0.00 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 1ffe h PRO 198 Cb 0.00 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 31.01 1ffe h PRO 198 CO 0.00 0.38 -0.27 0.00 -0.23 0.00 0.00 178.00 177.87 1ffe h ALA 199 N 1.64 -0.76 -0.14 -0.56 0.00 -1.52 -0.60 119.26 117.32 1ffe h ALA 199 Ca 0.34 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ffe h ALA 199 Cb 0.55 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1ffe h ALA 199 CO -0.12 -0.80 -0.09 -1.00 0.00 0.00 0.00 179.25 177.24 1ffe h PRO 200 N -1.01 0.22 -0.61 0.00 0.13 -1.75 -1.78 132.00 127.20 1ffe h PRO 200 Ca -0.08 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1ffe h PRO 200 Cb 0.65 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.71 1ffe h PRO 200 CO 0.13 0.32 0.39 1.49 -0.23 0.00 0.00 178.00 180.10 1ffe h GLU 201 N 0.21 0.76 -0.22 0.86 4.81 -1.14 -0.05 114.58 119.82 1ffe h GLU 201 Ca 0.05 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ffe h GLU 201 Cb 0.30 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1ffe h GLU 201 CO 0.02 0.51 0.06 0.35 -0.73 0.00 0.00 179.01 179.22 1ffe h PHE 202 N 0.79 0.36 -0.60 0.92 3.57 -0.55 -1.78 116.94 119.65 1ffe h PHE 202 Ca 0.23 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1ffe h PHE 202 Cb -0.05 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1ffe h PHE 202 CO -0.04 0.43 0.38 -0.07 -2.23 0.00 0.00 178.31 176.78 1ffe h LEU 203 N 0.18 0.70 -0.42 0.59 3.38 -1.03 -1.09 115.31 117.63 1ffe h LEU 203 Ca 0.07 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1ffe h LEU 203 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1ffe h LEU 203 CO -0.00 0.52 0.15 0.40 0.09 0.00 0.00 178.44 179.60 1ffe h ILE 204 N 0.81 1.21 -0.62 1.22 2.04 -0.96 -1.66 117.51 119.55 1ffe h ILE 204 Ca 0.22 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1ffe h ILE 204 Cb -0.07 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1ffe h ILE 204 CO -0.04 0.24 0.36 -0.08 0.00 0.00 0.00 178.15 178.62 1ffe h GLU 205 N 0.53 0.85 -0.22 2.37 4.81 -1.09 -0.95 114.58 120.89 1ffe h GLU 205 Ca 0.14 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 1ffe h GLU 205 Cb 0.22 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1ffe h GLU 205 CO -0.01 0.63 -0.28 0.87 -0.73 0.00 0.00 179.01 179.49 1ffe h LYS 206 N 0.84 0.43 -0.16 1.92 1.79 -1.00 -0.88 116.57 119.50 1ffe h LYS 206 Ca 0.22 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 1ffe h LYS 206 Cb 0.01 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1ffe h LYS 206 CO -0.04 0.67 -0.18 0.28 -1.08 0.00 0.00 179.45 179.11 1ffe h VAL 207 N 0.38 1.35 0.00 0.50 2.07 -1.06 -3.18 116.25 116.31 1ffe h VAL 207 Ca 0.05 -1.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 1ffe h VAL 207 Cb 0.69 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1ffe h VAL 207 CO 0.05 0.40 -0.22 0.03 0.02 0.00 0.00 177.57 177.85 1ffe h ARG 208 N 0.03 0.00 -0.45 1.57 3.08 -1.02 0.23 114.38 117.82 1ffe h ARG 208 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1ffe h ARG 208 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1ffe h ARG 208 CO 0.04 0.22 0.15 0.00 -1.07 0.00 0.00 179.97 179.32 1ffe h ALA 209 N 1.78 1.42 0.00 0.04 0.00 -1.14 0.78 119.26 122.14 1ffe h ALA 209 Ca -0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 1ffe h ALA 209 Cb 0.45 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1ffe h ALA 209 CO 0.03 0.43 -2.23 1.33 0.00 0.00 0.00 179.25 178.81 1ffe n VAL 210 N -4.34 0.96 0.38 0.00 0.24 -0.95 -4.50 118.33 110.13 1ffe n VAL 210 Ca 0.03 -0.74 0.11 0.00 -2.04 0.00 0.00 64.34 61.70 1ffe n VAL 210 Cb 0.17 -0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 32.13 1ffe n VAL 210 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ffe n ARG 211 N -2.61 0.41 0.00 7.34 1.74 0.03 -5.07 116.66 118.50 1ffe n ARG 211 Ca -0.23 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 1ffe n ARG 211 Cb 0.97 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1ffe n ARG 211 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ffe n GLY 212 N 1.33 0.40 3.69 -0.13 0.00 0.26 -5.02 105.19 105.72 1ffe n GLY 212 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1ffe n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76