#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 n ARG 3 N 0.00 2.90 -3.80 -0.14 1.85 -1.26 -4.67 116.66 111.55 3i21 n ARG 3 Ca 0.00 -1.58 -0.30 0.00 -1.00 0.00 0.00 57.85 54.98 3i21 n ARG 3 Cb 0.00 -1.87 -0.14 0.00 -1.05 0.00 0.00 32.46 29.40 3i21 n ARG 3 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3i21 s ARG 4 N -1.87 1.24 -1.14 2.89 6.06 -1.26 -5.05 118.95 119.82 3i21 s ARG 4 Ca 0.27 -1.80 -0.22 0.00 -2.50 0.00 0.00 55.73 51.49 3i21 s ARG 4 Cb 0.21 -2.50 -0.01 0.00 0.06 0.00 0.00 34.95 32.71 3i21 s ARG 4 CO 0.08 -1.07 1.80 0.14 -2.50 0.00 0.00 175.30 173.75 3i21 s VAL 5 N 0.72 3.76 0.54 7.11 -7.23 -1.26 -4.96 120.40 119.07 3i21 s VAL 5 Ca 0.14 -1.09 -0.19 0.00 -1.81 0.00 0.00 61.98 59.04 3i21 s VAL 5 Cb -0.22 -4.74 -0.06 0.00 0.56 0.00 0.00 36.38 31.93 3i21 s VAL 5 CO -0.08 -1.45 1.08 0.27 -0.31 0.00 0.00 175.10 174.60 3i21 s ILE 6 N 7.82 3.56 -0.02 -0.62 -4.36 -1.26 -5.01 121.20 121.32 3i21 s ILE 6 Ca 0.61 0.91 -0.01 0.00 -0.26 0.00 0.00 60.65 61.89 3i21 s ILE 6 Cb -0.00 -3.36 -0.01 0.00 1.25 0.00 0.00 42.46 40.34 3i21 s ILE 6 CO 0.05 -0.27 0.18 1.23 0.24 0.00 0.00 174.94 176.37 3i21 h GLY 7 N 1.12 -0.05 0.00 6.27 0.00 -2.08 -3.50 103.07 104.83 3i21 h GLY 7 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3i21 h GLY 7 CO 0.58 -0.02 0.00 -0.18 0.00 0.00 0.00 176.54 176.92 3i21 n GLN 8 N -2.64 0.00 0.00 4.80 0.00 -1.26 -5.17 117.38 113.11 3i21 n GLN 8 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.99 3i21 n GLN 8 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.26 3i21 n GLN 8 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 3i21 n ARG 9 N -0.10 3.37 0.00 3.69 1.85 -1.26 -5.09 116.66 119.12 3i21 n ARG 9 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i21 n ARG 9 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3i21 n ARG 9 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 3i21 n LYS 10 N 0.00 0.00 -1.72 2.89 -0.00 -1.26 -5.17 118.16 112.90 3i21 n LYS 10 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 3i21 n LYS 10 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 35.03 35.10 3i21 n LYS 10 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 3i21 s ILE 11 N 0.00 3.21 0.42 0.58 -4.36 -1.26 -5.05 121.20 114.74 3i21 s ILE 11 Ca 0.00 0.39 -0.11 0.00 -0.26 0.00 0.00 60.65 60.67 3i21 s ILE 11 Cb 0.00 -3.27 -0.07 0.00 1.25 0.00 0.00 42.46 40.38 3i21 s ILE 11 CO 0.00 -0.51 0.79 -1.48 0.24 0.00 0.00 174.94 173.98 3i21 s LEU 12 N -5.58 3.81 0.00 0.37 -0.00 -1.26 -5.07 118.68 110.96 3i21 s LEU 12 Ca 0.60 1.18 -0.10 0.00 -0.00 0.00 0.00 54.13 55.81 3i21 s LEU 12 Cb -0.13 -4.07 0.15 0.00 -0.00 0.00 0.00 46.19 42.14 3i21 s LEU 12 CO 0.53 -0.42 0.48 -0.81 -0.00 0.00 0.00 176.35 176.13 3i21 n PRO 13 N -1.33 -2.26 -2.06 1.48 -0.04 -1.26 -4.76 135.00 124.76 3i21 n PRO 13 Ca 0.03 -0.78 -0.41 0.00 -0.04 0.00 0.00 63.50 62.30 3i21 n PRO 13 Cb 0.54 -0.78 -0.02 0.00 -0.04 0.00 0.00 33.50 33.20 3i21 n PRO 13 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i21 s ASP 14 N -2.79 6.71 0.00 3.54 3.68 0.11 -4.85 116.67 123.07 3i21 s ASP 14 Ca 0.32 2.64 0.00 0.00 2.13 0.00 0.00 52.55 57.65 3i21 s ASP 14 Cb -0.04 -2.63 0.00 0.00 -1.45 0.00 0.00 42.92 38.80 3i21 s ASP 14 CO 0.25 -0.64 0.44 -0.81 0.13 0.00 0.00 175.17 174.55 3i21 n PRO 15 N 1.93 0.00 -0.05 4.34 -0.04 -1.26 -3.98 135.00 135.95 3i21 n PRO 15 Ca 0.05 0.31 -0.01 0.00 -0.04 0.00 0.00 63.50 63.80 3i21 n PRO 15 Cb 0.41 -0.94 -0.00 0.00 -0.04 0.00 0.00 33.50 32.92 3i21 n PRO 15 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3i21 h LYS 16 N 0.00 0.00 0.00 0.54 1.79 -2.00 -3.43 116.57 113.47 3i21 h LYS 16 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3i21 h LYS 16 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3i21 h LYS 16 CO 0.00 0.00 0.00 0.34 -1.08 0.00 0.00 179.45 178.71 3i21 n PHE 17 N -4.16 0.00 0.00 -1.35 7.35 -1.26 -4.95 117.46 113.09 3i21 n PHE 17 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 3i21 n PHE 17 Cb 0.08 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 39.77 3i21 n PHE 17 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i21 n GLY 18 N -0.81 -0.06 3.70 7.13 0.00 -1.26 -5.05 105.19 108.84 3i21 n GLY 18 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i21 n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i21 s SER 19 N 0.00 7.19 0.00 1.61 0.15 -1.26 -4.67 113.70 116.72 3i21 s SER 19 Ca 0.00 1.76 -0.04 0.00 0.70 0.00 0.00 55.95 58.38 3i21 s SER 19 Cb 0.00 -2.57 -0.28 0.00 -1.71 0.00 0.00 66.02 61.46 3i21 s SER 19 CO 0.00 -0.43 0.86 -0.33 1.20 0.00 0.00 173.24 174.54 3i21 h GLU 20 N 7.03 0.27 0.07 5.44 4.39 -1.95 0.33 114.58 130.16 3i21 h GLU 20 Ca -0.37 -0.45 -0.00 0.00 0.34 0.00 0.00 59.36 58.87 3i21 h GLU 20 Cb 1.19 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 3i21 h GLU 20 CO 0.82 1.14 -0.03 -0.07 -1.16 0.00 0.00 179.01 179.71 3i21 h LEU 21 N 0.07 -0.08 -2.07 1.33 4.07 -1.98 -2.91 115.31 113.74 3i21 h LEU 21 Ca -0.24 -0.48 0.09 0.00 0.08 0.00 0.00 57.88 57.33 3i21 h LEU 21 Cb 2.02 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.77 3i21 h LEU 21 CO 0.17 0.61 0.35 0.25 -1.08 0.00 0.00 178.44 178.74 3i21 h LEU 22 N -0.94 0.00 -1.40 1.67 6.46 -1.96 0.90 115.31 120.05 3i21 h LEU 22 Ca -0.01 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 3i21 h LEU 22 Cb 0.55 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 3i21 h LEU 22 CO 0.02 0.00 -0.12 0.00 -0.62 0.00 0.00 178.44 177.72 3i21 h ALA 23 N 1.60 1.51 0.00 1.25 0.00 -1.40 -1.19 119.26 121.02 3i21 h ALA 23 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i21 h ALA 23 Cb 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3i21 h ALA 23 CO -0.00 0.35 -1.44 1.17 0.00 0.00 0.00 179.25 179.33 3i21 n LYS 24 N -4.28 0.80 0.22 0.00 4.81 -0.07 -4.40 118.16 115.25 3i21 n LYS 24 Ca -0.01 -0.10 0.11 0.00 -0.87 0.00 0.00 58.31 57.44 3i21 n LYS 24 Cb 0.26 -1.39 0.41 0.00 0.02 0.00 0.00 35.03 34.33 3i21 n LYS 24 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 3i21 h PHE 25 N 0.00 0.00 0.00 5.64 3.57 0.11 -1.41 116.94 124.85 3i21 h PHE 25 Ca 0.00 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 3i21 h PHE 25 Cb 0.67 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3i21 h PHE 25 CO 0.00 0.18 -0.78 -0.39 -2.23 0.00 0.00 178.31 175.09 3i21 h VAL 26 N 0.00 1.42 -0.03 1.41 -1.51 -1.44 -2.69 116.25 113.41 3i21 h VAL 26 Ca -0.00 -2.81 -0.19 0.00 -1.23 0.00 0.00 66.70 62.47 3i21 h VAL 26 Cb 0.81 2.58 -0.01 0.00 -2.13 0.00 0.00 31.29 32.55 3i21 h VAL 26 CO 0.02 0.77 -0.80 0.78 -1.23 0.00 0.00 177.57 177.11 3i21 h ASN 27 N 0.00 0.34 -0.60 4.19 4.21 -1.71 -1.26 115.58 120.75 3i21 h ASN 27 Ca -0.01 -0.24 -0.07 0.00 1.21 0.00 0.00 56.30 57.19 3i21 h ASN 27 Cb 1.52 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 38.59 3i21 h ASN 27 CO 0.10 1.00 0.09 0.40 -1.29 0.00 0.00 177.43 177.73 3i21 h ILE 28 N 0.17 1.26 0.00 2.81 1.08 -1.24 -3.35 117.51 118.24 3i21 h ILE 28 Ca -0.04 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 3i21 h ILE 28 Cb 1.39 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.88 3i21 h ILE 28 CO 0.13 0.37 0.00 -0.11 -0.69 0.00 0.00 178.15 177.85 3i21 n LEU 29 N -4.30 0.00 0.00 1.44 7.94 -1.02 -4.94 117.00 116.12 3i21 n LEU 29 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 3i21 n LEU 29 Cb 0.28 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.23 3i21 n LEU 29 CO 0.42 0.00 0.00 0.23 -1.11 0.00 0.00 177.39 176.93 3i21 n MET 30 N 0.00 0.00 0.00 1.96 2.81 -0.48 -5.04 117.12 116.38 3i21 n MET 30 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3i21 n MET 30 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3i21 n MET 30 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3i21 n VAL 31 N -0.19 0.00 -3.47 2.03 3.14 -1.26 -5.00 118.33 113.57 3i21 n VAL 31 Ca 0.00 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.13 3i21 n VAL 31 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 3i21 n VAL 31 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3i21 n ASP 32 N 0.00 -3.66 -4.22 6.55 9.92 -1.26 -1.26 116.55 122.62 3i21 n ASP 32 Ca 0.00 -0.47 -0.36 0.00 -0.53 0.00 0.00 54.79 53.44 3i21 n ASP 32 Cb 0.00 -3.03 -0.03 0.00 -0.64 0.00 0.00 41.12 37.42 3i21 n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i21 n GLY 33 N -1.20 -0.42 2.49 0.44 0.00 -1.26 -4.89 105.19 100.35 3i21 n GLY 33 Ca -0.00 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3i21 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i21 n LYS 34 N -4.38 2.74 -2.13 1.61 5.02 -0.39 -5.00 118.16 115.63 3i21 n LYS 34 Ca 0.04 -4.68 -0.29 0.00 -2.02 0.00 0.00 58.31 51.36 3i21 n LYS 34 Cb 0.51 -2.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.19 3i21 n LYS 34 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3i21 s LYS 35 N -2.57 2.72 0.00 1.97 2.20 -1.26 -2.86 119.74 119.95 3i21 s LYS 35 Ca 0.40 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 3i21 s LYS 35 Cb 0.15 -5.15 0.00 0.00 -1.51 0.00 0.00 37.83 31.32 3i21 s LYS 35 CO -0.01 -3.29 0.00 0.45 -0.36 0.00 0.00 175.35 172.14 3i21 n SER 36 N 13.21 0.00 0.28 1.43 2.88 -1.26 -4.85 113.62 125.31 3i21 n SER 36 Ca 0.40 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 58.11 3i21 n SER 36 Cb 0.47 0.00 0.80 0.00 -0.75 0.00 0.00 64.21 64.73 3i21 n SER 36 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3i21 h THR 37 N 0.00 0.22 0.00 2.46 2.02 -1.95 0.37 112.91 116.04 3i21 h THR 37 Ca 0.00 -0.46 -0.13 0.00 0.77 0.00 0.00 66.41 66.59 3i21 h THR 37 Cb 0.00 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3i21 h THR 37 CO 0.00 0.06 -0.62 0.00 0.37 0.00 0.00 175.52 175.33 3i21 h ALA 38 N 1.94 0.67 0.00 6.16 0.00 -1.87 -3.22 119.26 122.94 3i21 h ALA 38 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3i21 h ALA 38 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i21 h ALA 38 CO 0.01 0.77 -0.38 0.39 0.00 0.00 0.00 179.25 180.04 3i21 n GLU 39 N -3.35 0.15 0.00 0.00 1.02 0.10 -2.97 120.64 115.59 3i21 n GLU 39 Ca 0.01 0.07 0.11 0.00 -0.02 0.00 0.00 57.16 57.32 3i21 n GLU 39 Cb 0.74 -1.62 0.57 0.00 -0.02 0.00 0.00 31.44 31.11 3i21 n GLU 39 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i21 n SER 40 N -1.85 0.00 -0.00 1.62 7.64 0.54 -1.58 113.62 119.99 3i21 n SER 40 Ca 0.05 -0.21 0.08 0.00 1.01 0.00 0.00 58.87 59.80 3i21 n SER 40 Cb 0.39 -0.20 -0.11 0.00 -1.01 0.00 0.00 64.21 63.27 3i21 n SER 40 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3i21 n ILE 41 N -1.20 0.00 -3.49 0.44 5.41 -1.16 -4.61 119.36 114.75 3i21 n ILE 41 Ca 0.12 -0.25 -0.28 0.00 1.00 0.00 0.00 62.75 63.33 3i21 n ILE 41 Cb 0.14 0.55 -0.03 0.00 -0.71 0.00 0.00 39.64 39.59 3i21 n ILE 41 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3i21 s VAL 42 N -2.87 5.09 -1.07 1.39 1.01 -0.61 -1.29 120.40 122.04 3i21 s VAL 42 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3i21 s VAL 42 Cb 0.12 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3i21 s VAL 42 CO 0.69 -0.24 0.00 -1.22 0.00 0.00 0.00 175.10 174.33 3i21 n TYR 43 N -0.74 -0.04 0.00 5.22 0.53 -1.26 -4.50 117.16 116.37 3i21 n TYR 43 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.85 3i21 n TYR 43 Cb 0.54 -2.63 0.00 0.00 -1.03 0.00 0.00 39.34 36.22 3i21 n TYR 43 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3i21 n SER 44 N -0.98 0.00 -0.19 7.72 2.88 -1.26 -4.72 113.62 117.08 3i21 n SER 44 Ca -0.10 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.57 3i21 n SER 44 Cb 0.56 0.07 0.49 0.00 -0.75 0.00 0.00 64.21 64.58 3i21 n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i21 n ALA 45 N -2.03 2.91 1.01 -1.46 0.00 -0.41 -2.95 120.51 117.57 3i21 n ALA 45 Ca 0.00 -0.34 0.11 0.00 0.00 0.00 0.00 53.44 53.21 3i21 n ALA 45 Cb 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 3i21 n ALA 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i21 n LEU 46 N -0.76 1.40 -1.23 0.00 7.94 -1.26 -4.24 117.00 118.86 3i21 n LEU 46 Ca 0.14 -0.56 0.03 0.00 -1.11 0.00 0.00 56.01 54.50 3i21 n LEU 46 Cb 0.31 -0.02 0.20 0.00 0.53 0.00 0.00 43.42 44.44 3i21 n LEU 46 CO 0.24 0.29 0.58 -0.62 -1.11 0.00 0.00 177.39 176.78 3i21 n GLU 47 N -0.84 2.90 -2.78 1.96 -0.58 -1.15 -3.55 120.64 116.59 3i21 n GLU 47 Ca 0.07 -1.58 -0.10 0.00 -0.42 0.00 0.00 57.16 55.12 3i21 n GLU 47 Cb 0.39 -1.87 0.06 0.00 -0.57 0.00 0.00 31.44 29.45 3i21 n GLU 47 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3i21 n THR 48 N 0.28 0.22 0.00 2.62 -2.24 -1.26 -4.89 114.28 109.01 3i21 n THR 48 Ca 0.15 -2.42 0.00 0.00 -2.27 0.00 0.00 64.05 59.50 3i21 n THR 48 Cb 0.75 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 3i21 n THR 48 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3i21 n LEU 49 N -0.09 0.00 -0.34 3.22 -0.00 -1.25 -4.44 117.00 114.10 3i21 n LEU 49 Ca 0.07 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.15 3i21 n LEU 49 Cb 0.77 0.30 0.24 0.00 -0.00 0.00 0.00 43.42 44.73 3i21 n LEU 49 CO 0.09 -0.30 1.19 0.00 -0.00 0.00 0.00 177.39 178.37 3i21 h ALA 50 N 0.00 1.45 0.00 1.96 0.00 -1.88 0.73 119.26 121.51 3i21 h ALA 50 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3i21 h ALA 50 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3i21 h ALA 50 CO 0.00 0.12 -0.87 -0.56 0.00 0.00 0.00 179.25 177.94 3i21 h GLN 51 N 0.87 0.00 0.00 0.00 3.07 -1.89 -3.24 115.11 113.92 3i21 h GLN 51 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.23 3i21 h GLN 51 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 3i21 h GLN 51 CO -0.30 0.30 0.00 0.54 0.09 0.00 0.00 178.83 179.46 3i21 n ARG 52 N -3.00 0.97 0.00 0.06 1.74 0.22 -4.61 116.66 112.03 3i21 n ARG 52 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3i21 n ARG 52 Cb 0.73 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.19 3i21 n ARG 52 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i21 n SER 53 N 0.00 0.00 -4.91 0.55 2.88 -1.24 -4.67 113.62 106.23 3i21 n SER 53 Ca 0.00 0.07 -0.28 0.00 -1.33 0.00 0.00 58.87 57.33 3i21 n SER 53 Cb 0.00 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.34 3i21 n SER 53 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3i21 s GLY 54 N -2.19 1.78 -0.75 0.46 0.00 -1.01 -5.03 107.32 100.58 3i21 s GLY 54 Ca 0.01 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.17 3i21 s GLY 54 CO 0.01 -0.47 0.58 0.54 0.00 0.00 0.00 173.10 173.76 3i21 s LYS 55 N -3.72 2.73 0.40 2.90 3.01 -1.25 -4.51 119.74 119.30 3i21 s LYS 55 Ca 0.44 -3.21 0.00 0.00 -1.01 0.00 0.00 55.97 52.19 3i21 s LYS 55 Cb -0.11 -3.63 0.00 0.00 -1.01 0.00 0.00 37.83 33.08 3i21 s LYS 55 CO 0.31 -1.26 0.00 0.45 0.51 0.00 0.00 175.35 175.37 3i21 n SER 56 N 2.29 -8.47 -2.76 2.83 2.88 -1.22 -4.41 113.62 104.76 3i21 n SER 56 Ca 0.18 0.78 -0.37 0.00 -1.33 0.00 0.00 58.87 58.14 3i21 n SER 56 Cb 0.36 -4.47 0.04 0.00 -0.75 0.00 0.00 64.21 59.38 3i21 n SER 56 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i21 n GLU 57 N -4.21 2.86 -0.04 -1.46 4.71 -1.26 -4.24 120.64 117.00 3i21 n GLU 57 Ca -0.01 -3.65 0.12 0.00 -0.01 0.00 0.00 57.16 53.60 3i21 n GLU 57 Cb 0.67 -2.27 0.50 0.00 -1.01 0.00 0.00 31.44 29.33 3i21 n GLU 57 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3i21 n LEU 58 N -0.58 1.12 0.00 -4.62 4.32 -1.26 -4.44 117.00 111.53 3i21 n LEU 58 Ca 0.53 -0.44 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 3i21 n LEU 58 Cb 0.36 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 3i21 n LEU 58 CO 0.52 0.22 0.00 -1.84 -1.22 0.00 0.00 177.39 175.07 3i21 n GLU 59 N -0.07 0.00 0.00 3.23 0.28 -1.26 -5.05 120.64 117.76 3i21 n GLU 59 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 3i21 n GLU 59 Cb 0.26 -0.15 0.00 0.00 1.43 0.00 0.00 31.44 32.97 3i21 n GLU 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i21 n ALA 60 N -1.70 0.00 -0.06 -1.84 0.00 -1.26 -3.78 120.51 111.87 3i21 n ALA 60 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3i21 n ALA 60 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3i21 n ALA 60 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i21 n PHE 61 N 0.00 0.00 0.00 0.00 0.99 -1.26 -4.86 117.46 112.33 3i21 n PHE 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i21 n PHE 61 Cb 0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 39.48 38.02 3i21 n PHE 61 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3i21 n GLU 62 N -3.32 0.00 -0.22 -1.08 4.71 -1.25 0.37 120.64 119.85 3i21 n GLU 62 Ca -0.24 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 56.82 3i21 n GLU 62 Cb 0.69 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 31.07 3i21 n GLU 62 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3i21 h VAL 63 N 0.00 0.06 0.00 2.62 2.07 -1.89 0.80 116.25 119.91 3i21 h VAL 63 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i21 h VAL 63 Cb 0.00 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3i21 h VAL 63 CO 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.59 3i21 h ALA 64 N 0.53 1.33 0.12 1.67 0.00 -0.23 0.54 119.26 123.22 3i21 h ALA 64 Ca 0.17 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 3i21 h ALA 64 Cb 0.56 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3i21 h ALA 64 CO -0.71 0.00 -0.99 1.25 0.00 0.00 0.00 179.25 178.80 3i21 h LEU 65 N 0.00 0.39 -0.58 0.00 6.46 0.16 -1.26 115.31 120.48 3i21 h LEU 65 Ca -0.00 -0.90 0.00 0.00 -0.12 0.00 0.00 57.88 56.86 3i21 h LEU 65 Cb 0.01 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 3i21 h LEU 65 CO 0.00 1.45 -0.20 -0.62 -0.62 0.00 0.00 178.44 178.46 3i21 n GLU 66 N -4.09 1.01 -0.06 1.25 4.71 0.21 -3.35 120.64 120.31 3i21 n GLU 66 Ca -0.18 -0.58 -0.07 0.00 -0.01 0.00 0.00 57.16 56.31 3i21 n GLU 66 Cb 0.83 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.74 3i21 n GLU 66 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3i21 n ASN 67 N -0.49 1.76 -1.79 1.62 5.03 0.19 -4.61 115.26 116.96 3i21 n ASN 67 Ca 0.14 0.29 -0.12 0.00 0.87 0.00 0.00 54.58 55.76 3i21 n ASN 67 Cb 0.35 -0.67 0.02 0.00 -1.02 0.00 0.00 39.78 38.46 3i21 n ASN 67 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3i21 n VAL 68 N -4.26 2.56 -2.43 2.41 0.31 -0.47 -4.96 118.33 111.49 3i21 n VAL 68 Ca -0.11 -1.34 -0.41 0.00 -0.01 0.00 0.00 64.34 62.47 3i21 n VAL 68 Cb 0.42 -1.40 -0.04 0.00 -0.91 0.00 0.00 33.84 31.92 3i21 n VAL 68 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3i21 s ARG 69 N -1.25 4.55 -0.64 5.55 6.06 -1.21 -4.79 118.95 127.22 3i21 s ARG 69 Ca 0.23 1.82 -0.23 0.00 -2.50 0.00 0.00 55.73 55.04 3i21 s ARG 69 Cb 0.17 -3.24 0.06 0.00 0.06 0.00 0.00 34.95 32.00 3i21 s ARG 69 CO -0.01 0.02 0.99 -2.14 -2.50 0.00 0.00 175.30 171.66 3i21 s PRO 70 N -0.55 3.18 0.00 5.12 0.02 -1.26 -4.80 135.00 136.72 3i21 s PRO 70 Ca 0.50 -0.61 0.00 0.00 0.02 0.00 0.00 61.00 60.91 3i21 s PRO 70 Cb -0.32 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.03 3i21 s PRO 70 CO 0.37 -1.76 0.00 -2.37 -0.33 0.00 0.00 177.00 172.92 3i21 n THR 71 N 6.05 0.00 -3.77 0.99 5.66 -1.26 -4.02 114.28 117.93 3i21 n THR 71 Ca -0.02 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.69 3i21 n THR 71 Cb 0.46 -0.50 -0.14 0.00 -1.55 0.00 0.00 70.33 68.61 3i21 n THR 71 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3i21 s VAL 72 N -1.64 1.48 0.42 1.08 1.01 -1.26 -3.75 120.40 117.74 3i21 s VAL 72 Ca 0.00 -2.36 -0.17 0.00 0.00 0.00 0.00 61.98 59.45 3i21 s VAL 72 Cb 0.00 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.23 3i21 s VAL 72 CO 0.00 -0.81 0.88 -0.70 0.00 0.00 0.00 175.10 174.47 3i21 s GLU 73 N 0.62 4.05 0.00 2.72 2.12 0.12 -4.48 118.70 123.84 3i21 s GLU 73 Ca 0.15 0.88 0.00 0.00 0.36 0.00 0.00 54.97 56.36 3i21 s GLU 73 Cb -0.23 -2.26 0.00 0.00 0.26 0.00 0.00 34.13 31.90 3i21 s GLU 73 CO -0.06 -0.04 0.00 1.33 -0.54 0.00 0.00 175.26 175.96 3i21 n VAL 74 N -0.86 0.00 0.00 3.70 0.24 -1.26 -0.13 118.33 120.02 3i21 n VAL 74 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3i21 n VAL 74 Cb 0.54 -1.46 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 3i21 n VAL 74 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3i21 n LYS 75 N -0.45 0.00 -3.64 7.34 3.00 -1.26 -3.89 118.16 119.26 3i21 n LYS 75 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 3i21 n LYS 75 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 3i21 n LYS 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3i21 s SER 76 N 0.00 3.64 -0.24 3.14 1.04 -1.26 -2.83 113.70 117.19 3i21 s SER 76 Ca 0.00 -1.89 -0.00 0.00 0.48 0.00 0.00 55.95 54.54 3i21 s SER 76 Cb 0.00 -0.70 0.07 0.00 0.10 0.00 0.00 66.02 65.48 3i21 s SER 76 CO 0.00 -0.37 -0.00 -0.13 0.98 0.00 0.00 173.24 173.72 3i21 s ARG 77 N 1.33 1.21 0.18 4.02 1.81 -0.69 -4.91 118.95 121.90 3i21 s ARG 77 Ca 0.13 -0.87 0.04 0.00 -1.72 0.00 0.00 55.73 53.31 3i21 s ARG 77 Cb -0.20 -2.40 -0.03 0.00 -0.45 0.00 0.00 34.95 31.87 3i21 s ARG 77 CO -0.17 -0.68 0.26 -0.98 -0.68 0.00 0.00 175.30 173.06 3i21 s ARG 78 N 1.54 3.29 -0.16 3.54 3.03 -1.24 -4.39 118.95 124.55 3i21 s ARG 78 Ca -0.02 -0.72 -0.04 0.00 2.03 0.00 0.00 55.73 56.98 3i21 s ARG 78 Cb -0.18 -2.85 0.07 0.00 -1.03 0.00 0.00 34.95 30.96 3i21 s ARG 78 CO -0.09 0.49 0.19 0.14 -1.13 0.00 0.00 175.30 174.89 3i21 s VAL 79 N -1.82 -0.28 0.00 4.99 -7.23 -1.26 -4.89 120.40 109.90 3i21 s VAL 79 Ca 0.34 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 3i21 s VAL 79 Cb -0.10 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.29 3i21 s VAL 79 CO 0.27 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 3i21 n GLY 80 N 5.32 0.54 2.18 2.32 0.00 -1.26 -4.31 105.19 109.97 3i21 n GLY 80 Ca -0.05 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 3i21 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i21 n GLY 81 N -0.73 0.88 0.00 -0.02 0.00 -1.26 -4.93 105.19 99.13 3i21 n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i21 n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i21 n SER 82 N -0.94 0.00 0.00 1.61 7.64 -1.26 -5.06 113.62 115.60 3i21 n SER 82 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 3i21 n SER 82 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3i21 n SER 82 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3i21 n THR 83 N 0.00 0.00 -1.22 0.44 -2.24 -1.26 -4.81 114.28 105.19 3i21 n THR 83 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 3i21 n THR 83 Cb 0.00 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3i21 n THR 83 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3i21 n TYR 84 N 0.00 -0.30 -1.80 4.78 0.53 -1.26 -4.71 117.16 114.40 3i21 n TYR 84 Ca 0.00 0.85 -0.27 0.00 -1.02 0.00 0.00 57.90 57.46 3i21 n TYR 84 Cb 0.49 -1.71 0.04 0.00 -1.03 0.00 0.00 39.34 37.14 3i21 n TYR 84 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 3i21 n GLN 85 N 0.92 3.30 -1.50 -0.72 1.13 -1.26 -1.71 117.38 117.54 3i21 n GLN 85 Ca 0.16 -3.88 -0.49 0.00 -1.94 0.00 0.00 57.00 50.85 3i21 n GLN 85 Cb 0.20 -2.27 -0.06 0.00 0.11 0.00 0.00 30.24 28.21 3i21 n GLN 85 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3i21 n VAL 86 N -0.78 0.25 -0.23 5.09 0.31 -1.13 -4.33 118.33 117.51 3i21 n VAL 86 Ca 0.50 -0.28 -0.30 0.00 -0.01 0.00 0.00 64.34 64.24 3i21 n VAL 86 Cb 0.88 -1.84 0.29 0.00 -0.91 0.00 0.00 33.84 32.26 3i21 n VAL 86 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3i21 n PRO 87 N 8.13 -4.90 -3.33 5.55 -0.04 -1.26 -4.09 135.00 135.06 3i21 n PRO 87 Ca 0.37 -1.46 -0.02 0.00 -0.04 0.00 0.00 63.50 62.36 3i21 n PRO 87 Cb 0.28 -1.89 0.02 0.00 -0.04 0.00 0.00 33.50 31.86 3i21 n PRO 87 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3i21 n VAL 88 N -5.83 0.00 -1.36 0.52 3.14 0.82 -4.80 118.33 110.82 3i21 n VAL 88 Ca 0.14 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 3i21 n VAL 88 Cb 0.60 0.58 0.00 0.00 -1.06 0.00 0.00 33.84 33.96 3i21 n VAL 88 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3i21 n GLU 89 N -0.58 3.95 -3.96 1.45 4.71 -1.26 0.11 120.64 125.06 3i21 n GLU 89 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.03 3i21 n GLU 89 Cb 0.45 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.86 3i21 n GLU 89 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3i21 s VAL 90 N 2.64 0.00 0.14 2.62 -7.23 -1.25 -4.04 120.40 113.29 3i21 s VAL 90 Ca 0.00 -1.32 0.06 0.00 -1.81 0.00 0.00 61.98 58.91 3i21 s VAL 90 Cb 0.00 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 3i21 s VAL 90 CO 0.00 0.00 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.07 3i21 s ARG 91 N -2.96 1.08 0.34 4.82 3.52 -1.26 -4.85 118.95 119.64 3i21 s ARG 91 Ca 0.23 -1.37 0.27 0.00 -0.13 0.00 0.00 55.73 54.73 3i21 s ARG 91 Cb -0.03 -0.82 1.13 0.00 -1.56 0.00 0.00 34.95 33.68 3i21 s ARG 91 CO 0.15 0.13 1.14 -2.30 -0.81 0.00 0.00 175.30 173.62 3i21 n PRO 92 N 0.12 -0.02 0.13 5.12 -0.02 -1.26 0.14 135.00 139.22 3i21 n PRO 92 Ca -0.12 0.89 -0.05 0.00 -2.02 0.00 0.00 63.50 62.20 3i21 n PRO 92 Cb 0.59 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 3i21 n PRO 92 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i21 h VAL 93 N 0.00 0.00 0.07 -1.45 2.07 -1.97 -2.40 116.25 112.57 3i21 h VAL 93 Ca 0.66 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.17 3i21 h VAL 93 Cb 2.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3i21 h VAL 93 CO -0.27 0.00 -0.03 0.03 0.02 0.00 0.00 177.57 177.32 3i21 h ARG 94 N -0.34 -0.09 0.00 1.57 3.08 -0.84 0.70 114.38 118.45 3i21 h ARG 94 Ca -0.03 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3i21 h ARG 94 Cb 0.26 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3i21 h ARG 94 CO 0.06 0.13 0.82 0.54 -1.07 0.00 0.00 179.97 180.44 3i21 n ARG 95 N -5.04 0.02 0.00 0.04 5.12 0.38 -2.52 116.66 114.66 3i21 n ARG 95 Ca -0.08 0.63 0.00 0.00 -1.93 0.00 0.00 57.85 56.47 3i21 n ARG 95 Cb 0.15 -2.33 0.00 0.00 -1.16 0.00 0.00 32.46 29.11 3i21 n ARG 95 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3i21 n ASN 96 N -1.98 0.00 -0.12 0.55 3.02 -0.64 -4.15 115.26 111.95 3i21 n ASN 96 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3i21 n ASN 96 Cb 0.82 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 40.01 3i21 n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i21 n ALA 97 N -1.99 -0.02 -0.27 5.41 0.00 0.23 -0.22 120.51 123.66 3i21 n ALA 97 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3i21 n ALA 97 Cb 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 19.45 19.34 3i21 n ALA 97 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i21 n LEU 98 N -4.46 -0.41 -0.08 0.00 4.77 -1.05 -2.92 117.00 112.85 3i21 n LEU 98 Ca 0.03 1.22 -0.03 0.00 -0.03 0.00 0.00 56.01 57.20 3i21 n LEU 98 Cb 0.13 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 3i21 n LEU 98 CO -0.04 -1.11 0.50 0.00 -1.33 0.00 0.00 177.39 175.41 3i21 h ALA 99 N 1.05 -0.24 -0.31 -1.18 0.00 -0.81 0.79 119.26 118.57 3i21 h ALA 99 Ca 0.26 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.28 3i21 h ALA 99 Cb 0.44 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3i21 h ALA 99 CO -0.70 -0.32 0.37 0.00 0.00 0.00 0.00 179.25 178.59 3i21 h MET 100 N -0.04 0.00 -0.28 0.00 -0.00 -1.75 -1.75 114.93 111.11 3i21 h MET 100 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.81 3i21 h MET 100 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.71 3i21 h MET 100 CO -0.20 0.00 0.45 -0.09 -0.00 0.00 0.00 176.91 177.07 3i21 h ARG 101 N 0.00 0.00 0.00 -0.10 9.65 -0.95 -1.49 114.38 121.49 3i21 h ARG 101 Ca 0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3i21 h ARG 101 Cb 0.88 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 3i21 h ARG 101 CO -0.00 0.00 -0.42 0.91 2.80 0.00 0.00 179.97 183.26 3i21 n TRP 102 N -3.37 0.00 -0.16 2.20 8.01 -0.67 -4.68 117.44 118.76 3i21 n TRP 102 Ca 0.04 0.00 0.24 0.00 -1.31 0.00 0.00 57.50 56.47 3i21 n TRP 102 Cb 0.58 0.00 0.64 0.00 -2.01 0.00 0.00 31.31 30.53 3i21 n TRP 102 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.69 177.50 3i21 h ILE 103 N 0.00 0.63 0.00 -0.99 2.04 -1.13 1.35 117.51 119.42 3i21 h ILE 103 Ca 0.00 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 3i21 h ILE 103 Cb 0.00 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3i21 h ILE 103 CO 0.00 0.03 -0.33 -0.37 0.00 0.00 0.00 178.15 177.47 3i21 h VAL 104 N 0.14 0.91 -0.50 1.67 -1.51 -1.83 -3.17 116.25 111.96 3i21 h VAL 104 Ca 0.40 -1.31 0.14 0.00 -1.23 0.00 0.00 66.70 64.70 3i21 h VAL 104 Cb 1.38 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 32.30 3i21 h VAL 104 CO -0.06 0.33 0.44 -0.08 -1.23 0.00 0.00 177.57 176.96 3i21 h GLU 105 N 0.00 0.00 -0.08 5.19 4.57 0.15 1.57 114.58 125.98 3i21 h GLU 105 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3i21 h GLU 105 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 3i21 h GLU 105 CO 0.04 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.87 3i21 n ALA 106 N -2.48 2.44 -1.00 2.92 0.00 -1.21 -4.46 120.51 116.72 3i21 n ALA 106 Ca 0.09 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3i21 n ALA 106 Cb 0.64 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3i21 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 n ALA 107 N 0.77 0.00 0.31 0.00 0.00 0.53 -4.32 120.51 117.81 3i21 n ALA 107 Ca 0.09 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.68 3i21 n ALA 107 Cb 0.36 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.64 3i21 n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 h ARG 108 N 0.00 0.00 -3.22 0.00 3.08 -1.86 -3.09 114.38 109.29 3i21 h ARG 108 Ca 0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.33 3i21 h ARG 108 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3i21 h ARG 108 CO 0.00 0.00 2.90 1.63 -1.07 0.00 0.00 179.97 183.43 3i21 n LYS 109 N -2.81 3.76 -3.64 0.04 5.02 -1.26 -4.83 118.16 114.43 3i21 n LYS 109 Ca -0.02 -2.93 -0.12 0.00 -2.02 0.00 0.00 58.31 53.21 3i21 n LYS 109 Cb 0.30 -2.88 -0.07 0.00 -0.02 0.00 0.00 35.03 32.36 3i21 n LYS 109 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3i21 s ARG 110 N 1.06 0.77 0.55 1.97 6.06 -1.17 -4.79 118.95 123.40 3i21 s ARG 110 Ca 0.54 1.01 0.41 0.00 -2.50 0.00 0.00 55.73 55.19 3i21 s ARG 110 Cb 0.15 0.33 1.61 0.00 0.06 0.00 0.00 34.95 37.10 3i21 s ARG 110 CO -0.06 -0.11 1.73 0.78 -2.50 0.00 0.00 175.30 175.14 3i21 h GLY 111 N 5.52 0.00 -3.99 8.12 0.00 -1.91 -3.43 103.07 107.37 3i21 h GLY 111 Ca -0.29 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.52 3i21 h GLY 111 CO 0.10 0.00 0.14 1.22 0.00 0.00 0.00 176.54 178.00 3i21 n ASP 112 N -4.09 0.19 0.00 0.19 10.43 -1.26 -4.90 116.55 117.11 3i21 n ASP 112 Ca 0.31 0.75 0.00 0.00 2.57 0.00 0.00 54.79 58.42 3i21 n ASP 112 Cb 1.49 -0.58 0.00 0.00 1.84 0.00 0.00 41.12 43.87 3i21 n ASP 112 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i21 n LYS 113 N 1.36 0.00 -2.21 -1.24 5.02 -1.26 -4.65 118.16 115.18 3i21 n LYS 113 Ca 0.15 0.10 -0.26 0.00 -2.02 0.00 0.00 58.31 56.27 3i21 n LYS 113 Cb 0.03 -0.82 0.10 0.00 -0.02 0.00 0.00 35.03 34.32 3i21 n LYS 113 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3i21 s SER 114 N -2.30 4.33 0.14 4.39 0.01 -1.26 -4.89 113.70 114.13 3i21 s SER 114 Ca 0.00 0.26 0.09 0.00 1.31 0.00 0.00 55.95 57.61 3i21 s SER 114 Cb 0.00 -0.72 -0.16 0.00 0.21 0.00 0.00 66.02 65.35 3i21 s SER 114 CO 0.00 -1.91 1.28 -0.03 0.41 0.00 0.00 173.24 172.99 3i21 h MET 115 N -0.83 0.00 0.00 12.44 4.05 -1.98 0.03 114.93 128.64 3i21 h MET 115 Ca -0.43 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 3i21 h MET 115 Cb 1.29 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 3i21 h MET 115 CO 0.52 0.89 0.00 0.00 0.23 0.00 0.00 176.91 178.54 3i21 n ALA 116 N -2.34 1.83 0.00 0.39 0.00 -1.26 -2.38 120.51 116.75 3i21 n ALA 116 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i21 n ALA 116 Cb 0.91 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3i21 n ALA 116 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i21 n LEU 117 N -0.64 1.72 0.08 0.00 4.32 -0.92 -3.44 117.00 118.12 3i21 n LEU 117 Ca 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.89 3i21 n LEU 117 Cb 0.01 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.76 3i21 n LEU 117 CO 0.02 0.29 0.66 0.03 -1.22 0.00 0.00 177.39 177.17 3i21 h ARG 118 N 0.00 -0.46 0.00 3.23 3.08 -0.75 -3.05 114.38 116.43 3i21 h ARG 118 Ca 0.00 0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.84 3i21 h ARG 118 Cb 0.59 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 3i21 h ARG 118 CO 0.00 -0.30 -1.87 -0.11 -1.07 0.00 0.00 179.97 176.61 3i21 n LEU 119 N -5.40 2.62 0.13 3.04 0.00 -1.00 -4.12 117.00 112.26 3i21 n LEU 119 Ca -0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 56.01 55.79 3i21 n LEU 119 Cb 0.31 -0.52 -0.06 0.00 0.00 0.00 0.00 43.42 43.15 3i21 n LEU 119 CO 0.21 0.67 0.64 0.00 0.00 0.00 0.00 177.39 178.91 3i21 h ALA 120 N -0.12 -0.60 -0.08 1.96 0.00 -1.68 1.09 119.26 119.83 3i21 h ALA 120 Ca -0.35 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3i21 h ALA 120 Cb 1.49 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3i21 h ALA 120 CO -0.09 -0.90 0.00 0.09 0.00 0.00 0.00 179.25 178.35 3i21 n ASN 121 N -5.43 0.97 0.00 0.00 3.02 -1.15 -2.77 115.26 109.90 3i21 n ASN 121 Ca -0.07 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.43 3i21 n ASN 121 Cb 0.34 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3i21 n ASN 121 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3i21 n GLU 122 N -0.10 4.93 0.12 3.52 0.00 -0.03 -4.64 120.64 124.45 3i21 n GLU 122 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.27 3i21 n GLU 122 Cb 0.21 -0.64 0.39 0.00 0.00 0.00 0.00 31.44 31.40 3i21 n GLU 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3i21 n LEU 123 N -1.14 0.38 0.31 4.31 7.99 0.36 -1.02 117.00 128.18 3i21 n LEU 123 Ca 0.00 0.65 0.20 0.00 -0.01 0.00 0.00 56.01 56.85 3i21 n LEU 123 Cb 0.00 -0.68 0.98 0.00 -0.11 0.00 0.00 43.42 43.60 3i21 n LEU 123 CO 0.00 -0.78 1.10 0.77 -1.51 0.00 0.00 177.39 176.97 3i21 h SER 124 N 0.00 0.00 0.26 -1.43 4.64 -1.82 -0.89 113.55 114.31 3i21 h SER 124 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i21 h SER 124 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3i21 h SER 124 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3i21 n ASP 125 N -3.07 0.55 -0.21 4.97 8.00 -0.19 -0.11 116.55 126.49 3i21 n ASP 125 Ca -0.01 0.71 -0.09 0.00 0.71 0.00 0.00 54.79 56.10 3i21 n ASP 125 Cb 0.18 -0.80 0.02 0.00 -0.02 0.00 0.00 41.12 40.50 3i21 n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i21 h ALA 126 N 2.10 0.80 0.00 2.24 0.00 -1.38 -1.92 119.26 121.11 3i21 h ALA 126 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i21 h ALA 126 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3i21 h ALA 126 CO 0.00 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 3i21 n ALA 127 N -2.47 0.10 0.14 0.00 0.00 0.22 -4.07 120.51 114.43 3i21 n ALA 127 Ca 0.03 -0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.31 3i21 n ALA 127 Cb 0.33 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.24 3i21 n ALA 127 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3i21 h GLU 128 N -0.22 0.21 0.00 0.00 4.11 -0.70 -3.46 114.58 114.52 3i21 h GLU 128 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3i21 h GLU 128 Cb 0.11 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3i21 h GLU 128 CO 0.00 0.28 0.00 0.09 0.07 0.00 0.00 179.01 179.45 3i21 n ASN 129 N -4.36 -4.65 -3.42 3.06 3.02 -0.72 -4.86 115.26 103.33 3i21 n ASN 129 Ca -0.01 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.20 3i21 n ASN 129 Cb 0.20 -2.65 -0.03 0.00 -0.61 0.00 0.00 39.78 36.69 3i21 n ASN 129 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i21 n LYS 130 N -0.23 2.03 0.00 3.52 4.76 -1.26 -4.79 118.16 122.18 3i21 n LYS 130 Ca 0.00 -1.77 0.00 0.00 -2.87 0.00 0.00 58.31 53.67 3i21 n LYS 130 Cb 0.33 -2.75 0.00 0.00 -1.84 0.00 0.00 35.03 30.78 3i21 n LYS 130 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i21 n GLY 131 N 4.10 2.04 3.68 0.72 0.00 -1.26 -4.97 105.19 109.50 3i21 n GLY 131 Ca 0.50 -1.33 -0.45 0.00 0.00 0.00 0.00 46.02 44.73 3i21 n GLY 131 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i21 n THR 132 N -1.31 0.33 0.00 2.61 -1.04 -1.26 -3.54 114.28 110.07 3i21 n THR 132 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3i21 n THR 132 Cb 0.00 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 66.62 3i21 n THR 132 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i21 n ALA 133 N 5.34 0.00 -0.77 2.41 0.00 -1.26 -4.63 120.51 121.61 3i21 n ALA 133 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.71 3i21 n ALA 133 Cb 0.33 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.02 3i21 n ALA 133 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i21 n VAL 134 N 0.00 1.97 0.03 0.00 0.24 -1.23 -4.49 118.33 114.84 3i21 n VAL 134 Ca 0.00 -1.60 -0.22 0.00 -2.04 0.00 0.00 64.34 60.48 3i21 n VAL 134 Cb 0.00 -0.05 -0.14 0.00 -1.47 0.00 0.00 33.84 32.18 3i21 n VAL 134 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3i21 h LYS 135 N 2.09 0.29 0.43 7.34 3.64 -1.90 -3.04 116.57 125.42 3i21 h LYS 135 Ca 0.00 -0.50 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 3i21 h LYS 135 Cb 1.30 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 3i21 h LYS 135 CO 0.18 1.24 -0.21 -0.22 -2.27 0.00 0.00 179.45 178.17 3i21 h LYS 136 N -0.15 -0.56 -0.28 1.90 1.63 -1.97 1.14 116.57 118.28 3i21 h LYS 136 Ca -0.33 0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.59 3i21 h LYS 136 Cb 1.89 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 33.63 3i21 h LYS 136 CO 0.10 -0.26 0.21 -0.09 -3.45 0.00 0.00 179.45 175.95 3i21 h ARG 137 N -0.98 0.00 0.00 1.90 1.12 -1.81 0.35 114.38 114.96 3i21 h ARG 137 Ca -0.06 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.78 3i21 h ARG 137 Cb 0.56 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 3i21 h ARG 137 CO 0.10 0.00 -0.99 0.93 -3.11 0.00 0.00 179.97 176.90 3i21 h GLU 138 N 0.00 0.00 0.00 0.20 4.39 -1.48 -3.28 114.58 114.40 3i21 h GLU 138 Ca 0.13 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 3i21 h GLU 138 Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3i21 h GLU 138 CO -0.00 0.06 -0.09 0.22 -1.16 0.00 0.00 179.01 178.04 3i21 h ASP 139 N 0.00 0.00 -0.00 1.42 1.82 0.53 -3.18 116.42 117.01 3i21 h ASP 139 Ca -0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 3i21 h ASP 139 Cb 1.10 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.11 3i21 h ASP 139 CO 0.01 0.09 -0.00 0.58 -1.61 0.00 0.00 179.24 178.31 3i21 h VAL 140 N 0.00 1.44 -0.68 2.25 2.07 -1.21 -2.54 116.25 117.58 3i21 h VAL 140 Ca -0.00 -1.28 0.20 0.00 0.82 0.00 0.00 66.70 66.43 3i21 h VAL 140 Cb 0.61 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3i21 h VAL 140 CO 0.01 0.33 0.77 0.45 0.02 0.00 0.00 177.57 179.16 3i21 h HIS 141 N -0.55 0.00 0.00 1.57 3.86 -1.68 -2.22 115.15 116.13 3i21 h HIS 141 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3i21 h HIS 141 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 3i21 h HIS 141 CO 0.12 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.45 3i21 n ARG 142 N -3.50 0.00 -0.28 2.45 5.12 -0.96 -3.00 116.66 116.50 3i21 n ARG 142 Ca 0.14 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 3i21 n ARG 142 Cb 1.01 -1.17 0.00 0.00 -1.16 0.00 0.00 32.46 31.14 3i21 n ARG 142 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3i21 n MET 143 N -1.13 0.57 0.00 5.56 2.81 -0.86 -2.95 117.12 121.12 3i21 n MET 143 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3i21 n MET 143 Cb 0.00 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 3i21 n MET 143 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i21 n ALA 144 N 1.69 0.00 -0.32 3.04 0.00 -1.06 -4.49 120.51 119.37 3i21 n ALA 144 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3i21 n ALA 144 Cb 0.28 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.89 3i21 n ALA 144 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i21 h GLU 145 N 0.00 0.01 0.00 0.00 4.57 -1.76 1.96 114.58 119.36 3i21 h GLU 145 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3i21 h GLU 145 Cb 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3i21 h GLU 145 CO 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 179.01 177.84 3i21 n ALA 146 N -3.35 2.28 -3.01 2.92 0.00 -1.15 -4.02 120.51 114.19 3i21 n ALA 146 Ca 0.16 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 3i21 n ALA 146 Cb 0.52 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 3i21 n ALA 146 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i21 s ASN 147 N -1.59 -0.56 -0.24 0.00 2.47 0.66 -4.78 114.94 110.90 3i21 s ASN 147 Ca 0.15 -1.94 0.12 0.00 0.42 0.00 0.00 52.86 51.61 3i21 s ASN 147 Cb 0.07 1.24 0.46 0.00 -1.45 0.00 0.00 41.25 41.57 3i21 s ASN 147 CO 0.12 -0.11 1.18 2.29 -3.72 0.00 0.00 177.10 176.86 3i21 n LYS 148 N 3.18 2.50 -0.83 0.43 -0.00 -1.12 -4.18 118.16 118.15 3i21 n LYS 148 Ca 0.20 -3.67 -0.16 0.00 -0.00 0.00 0.00 58.31 54.68 3i21 n LYS 148 Cb 0.53 -1.81 -0.09 0.00 -0.00 0.00 0.00 35.03 33.66 3i21 n LYS 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i21 n ALA 149 N -0.68 5.35 0.00 0.58 0.00 -1.26 -3.01 120.51 121.49 3i21 n ALA 149 Ca 0.28 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.91 3i21 n ALA 149 Cb 0.89 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3i21 n ALA 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i21 n PHE 150 N 3.08 -0.09 0.71 0.00 3.01 -1.26 -4.99 117.46 117.91 3i21 n PHE 150 Ca 0.42 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.96 3i21 n PHE 150 Cb 0.51 0.03 0.07 0.00 -0.01 0.00 0.00 39.48 40.08 3i21 n PHE 150 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77