#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifu n ARG 7 N 0.00 1.65 -2.68 -0.67 3.00 -1.26 -4.78 116.66 111.91 3ifu n ARG 7 Ca 0.00 -1.01 -0.40 0.00 -0.00 0.00 0.00 57.85 56.44 3ifu n ARG 7 Cb 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 32.46 32.67 3ifu n ARG 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ifu n THR 9 N 1.94 1.92 -2.57 0.00 -1.04 -1.26 -4.80 114.28 108.48 3ifu n THR 9 Ca -0.00 -3.56 -0.22 0.00 -2.04 0.00 0.00 64.05 58.23 3ifu n THR 9 Cb 0.47 -0.01 0.04 0.00 -1.82 0.00 0.00 70.33 69.01 3ifu n THR 9 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ifu s THR 11 N -2.84 2.15 -1.20 0.00 -4.23 -1.26 -4.82 115.64 103.43 3ifu s THR 11 Ca 0.58 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 3ifu s THR 11 Cb -0.10 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.65 3ifu s THR 11 CO 0.39 0.03 0.65 -0.81 -0.54 0.00 0.00 174.62 174.34 3ifu n PRO 12 N 1.20 0.00 -0.14 3.99 -0.04 -1.26 -1.13 135.00 137.61 3ifu n PRO 12 Ca 0.04 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 3ifu n PRO 12 Cb 0.39 -1.55 0.29 0.00 -0.04 0.00 0.00 33.50 32.59 3ifu n PRO 12 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3ifu n ASN 13 N -1.15 2.23 -4.67 3.54 6.94 -1.19 -1.48 115.26 119.48 3ifu n ASN 13 Ca 0.00 -1.85 -0.43 0.00 -0.02 0.00 0.00 54.58 52.28 3ifu n ASN 13 Cb 0.05 -0.19 -0.02 0.00 -2.36 0.00 0.00 39.78 37.26 3ifu n ASN 13 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ifu s ALA 14 N -1.63 3.61 0.85 -2.53 0.00 -0.29 -4.80 121.76 116.97 3ifu s ALA 14 Ca 0.33 0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 3ifu s ALA 14 Cb 0.18 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.77 3ifu s ALA 14 CO 0.26 -0.96 0.54 0.54 0.00 0.00 0.00 175.76 176.14 3ifu n ARG 15 N 6.03 -0.00 -4.37 0.00 1.74 -1.26 -4.73 116.66 114.07 3ifu n ARG 15 Ca 0.12 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 57.02 3ifu n ARG 15 Cb 0.46 -1.91 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 3ifu n ARG 15 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ifu s VAL 16 N -2.17 2.00 0.08 1.55 1.01 -1.26 -0.02 120.40 121.59 3ifu s VAL 16 Ca 0.62 -2.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.60 3ifu s VAL 16 Cb -0.27 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3ifu s VAL 16 CO 0.62 -0.28 -0.02 0.72 0.00 0.00 0.00 175.10 176.14 3ifu s PHE 17 N -2.03 0.71 -0.14 5.22 -0.12 -0.38 -4.86 117.98 116.39 3ifu s PHE 17 Ca 0.18 -1.07 0.02 0.00 -0.05 0.00 0.00 56.93 56.02 3ifu s PHE 17 Cb -0.06 -0.45 0.01 0.00 -0.63 0.00 0.00 43.02 41.88 3ifu s PHE 17 CO 0.08 -0.35 -0.21 0.08 -0.05 0.00 0.00 175.22 174.77 3ifu s VAL 18 N -3.87 2.17 -0.10 -2.49 1.01 0.10 -0.52 120.40 116.70 3ifu s VAL 18 Ca 0.12 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3ifu s VAL 18 Cb 0.07 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3ifu s VAL 18 CO -0.06 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.42 3ifu s ALA 19 N 0.78 1.76 0.00 5.51 0.00 -0.62 -4.20 121.76 125.00 3ifu s ALA 19 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3ifu s ALA 19 Cb -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3ifu s ALA 19 CO -0.01 0.01 0.00 0.39 0.00 0.00 0.00 175.76 176.15 3ifu n GLU 20 N 4.04 0.00 -0.03 0.00 1.02 -1.26 -2.07 120.64 122.33 3ifu n GLU 20 Ca -0.20 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.78 3ifu n GLU 20 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.80 3ifu n GLU 20 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3ifu h GLY 21 N 0.00 0.11 -3.54 0.62 0.00 -2.03 -3.48 103.07 94.75 3ifu h GLY 21 Ca 0.00 -0.27 -0.57 0.00 0.00 0.00 0.00 47.33 46.49 3ifu h GLY 21 CO 0.00 0.24 0.30 -1.06 0.00 0.00 0.00 176.54 176.02 3ifu n GLN 22 N -4.44 1.51 -3.63 4.80 1.13 -0.88 -5.02 117.38 110.85 3ifu n GLN 22 Ca -0.13 0.54 -0.37 0.00 -1.94 0.00 0.00 57.00 55.11 3ifu n GLN 22 Cb 0.60 -2.21 -0.09 0.00 0.11 0.00 0.00 30.24 28.65 3ifu n GLN 22 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3ifu s VAL 23 N -1.28 5.34 0.23 5.09 1.01 -1.26 -1.59 120.40 127.95 3ifu s VAL 23 Ca 0.64 0.25 0.11 0.00 0.00 0.00 0.00 61.98 62.98 3ifu s VAL 23 Cb -0.51 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3ifu s VAL 23 CO 0.56 0.34 -0.21 -0.31 0.00 0.00 0.00 175.10 175.47 3ifu s TYR 24 N 1.06 2.22 0.05 5.22 1.51 0.32 -0.62 117.35 127.11 3ifu s TYR 24 Ca 0.09 -0.37 -0.24 0.00 -1.01 0.00 0.00 57.07 55.55 3ifu s TYR 24 Cb -0.14 -1.03 -0.06 0.00 -0.11 0.00 0.00 41.96 40.63 3ifu s TYR 24 CO 0.05 0.59 0.71 0.00 -1.11 0.00 0.00 175.55 175.79 3ifu h THR 26 N 4.00 1.00 0.02 0.00 2.02 -0.73 -1.66 112.91 117.55 3ifu h THR 26 Ca -0.45 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 65.68 3ifu h THR 26 Cb 1.20 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 3ifu h THR 26 CO 0.70 0.28 -0.01 0.03 0.37 0.00 0.00 175.52 176.89 3ifu h ARG 27 N 0.00 -0.02 -0.01 6.66 3.08 -1.92 -3.41 114.38 118.76 3ifu h ARG 27 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ifu h ARG 27 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3ifu h ARG 27 CO 0.04 0.67 -0.10 0.00 -1.07 0.00 0.00 179.97 179.50 3ifu n LEU 29 N 0.38 -1.41 -4.89 0.00 4.77 -0.62 -4.98 117.00 110.25 3ifu n LEU 29 Ca 0.07 0.43 -0.30 0.00 -0.03 0.00 0.00 56.01 56.18 3ifu n LEU 29 Cb 0.31 -2.64 -0.04 0.00 -2.33 0.00 0.00 43.42 38.71 3ifu n LEU 29 CO 0.11 -0.93 -0.17 -0.44 -1.33 0.00 0.00 177.39 174.63 3ifu s SER 30 N -2.76 6.15 0.34 -1.43 0.01 -1.26 -4.78 113.70 109.97 3ifu s SER 30 Ca 0.00 0.18 -0.27 0.00 1.31 0.00 0.00 55.95 57.17 3ifu s SER 30 Cb 0.00 -1.83 -0.12 0.00 0.21 0.00 0.00 66.02 64.27 3ifu s SER 30 CO 0.00 0.15 1.15 0.00 0.41 0.00 0.00 173.24 174.95 3ifu n ALA 31 N 0.20 0.61 -2.90 1.44 0.00 -1.26 -1.73 120.51 116.87 3ifu n ALA 31 Ca -0.06 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 3ifu n ALA 31 Cb 0.52 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 3ifu n ALA 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ifu s ARG 32 N -1.81 3.83 0.88 0.00 1.81 0.21 -0.91 118.95 122.97 3ifu s ARG 32 Ca 0.58 -0.41 -0.13 0.00 -1.72 0.00 0.00 55.73 54.05 3ifu s ARG 32 Cb -0.61 -3.25 0.13 0.00 -0.45 0.00 0.00 34.95 30.78 3ifu s ARG 32 CO 0.60 0.08 1.21 -1.12 -0.68 0.00 0.00 175.30 175.40 3ifu s SER 33 N 0.88 3.81 0.33 0.23 0.01 -1.26 -4.73 113.70 112.97 3ifu s SER 33 Ca 0.03 0.66 -0.28 0.00 1.31 0.00 0.00 55.95 57.67 3ifu s SER 33 Cb -0.14 -1.02 -0.09 0.00 0.21 0.00 0.00 66.02 64.98 3ifu s SER 33 CO 0.02 -2.33 1.17 -0.76 0.41 0.00 0.00 173.24 171.75 3ifu s LEU 34 N -5.79 4.41 0.32 2.44 1.43 -1.26 -4.77 118.68 115.45 3ifu s LEU 34 Ca 0.66 2.39 -0.28 0.00 -1.03 0.00 0.00 54.13 55.87 3ifu s LEU 34 Cb -0.09 -3.76 -0.09 0.00 0.03 0.00 0.00 46.19 42.27 3ifu s LEU 34 CO 0.51 -0.40 1.10 -0.22 0.23 0.00 0.00 176.35 177.57 3ifu s LEU 35 N -1.87 4.43 0.00 1.79 2.96 0.72 -4.89 118.68 121.83 3ifu s LEU 35 Ca 0.50 2.25 0.00 0.00 -0.22 0.00 0.00 54.13 56.66 3ifu s LEU 35 Cb -0.33 -3.77 0.00 0.00 0.50 0.00 0.00 46.19 42.59 3ifu s LEU 35 CO 0.43 -0.28 0.11 -2.65 -1.32 0.00 0.00 176.35 172.64 3ifu n PRO 36 N 0.82 0.00 0.00 0.98 -0.02 -1.26 -4.69 135.00 130.83 3ifu n PRO 36 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3ifu n PRO 36 Cb 0.46 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 3ifu n PRO 36 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3ifu n LEU 37 N -0.53 0.00 0.08 2.45 7.94 -1.26 -4.48 117.00 121.19 3ifu n LEU 37 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3ifu n LEU 37 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 3ifu n LEU 37 CO 0.00 0.00 0.06 0.78 -1.11 0.00 0.00 177.39 177.12 3ifu h ASN 38 N 0.00 0.00 0.01 1.96 2.35 -2.01 -3.30 115.58 114.59 3ifu h ASN 38 Ca 0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 3ifu h ASN 38 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 3ifu h ASN 38 CO 0.00 0.60 -2.28 0.18 -1.65 0.00 0.00 177.43 174.28 3ifu n LEU 39 N -3.08 0.01 -4.44 1.61 4.77 -1.26 -4.99 117.00 109.61 3ifu n LEU 39 Ca -0.04 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.49 3ifu n LEU 39 Cb 0.81 0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 42.25 3ifu n LEU 39 CO 0.42 0.37 0.09 0.00 -1.33 0.00 0.00 177.39 176.95 3ifu n GLN 40 N -2.63 0.40 -3.66 3.23 6.02 -1.24 -4.83 117.38 114.66 3ifu n GLN 40 Ca -0.25 0.14 -0.37 0.00 -0.01 0.00 0.00 57.00 56.50 3ifu n GLN 40 Cb 1.01 -1.27 -0.08 0.00 1.02 0.00 0.00 30.24 30.92 3ifu n GLN 40 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ifu s VAL 41 N -1.15 4.07 0.46 5.09 1.01 -1.02 -4.93 120.40 123.92 3ifu s VAL 41 Ca 0.62 -3.18 0.34 0.00 0.00 0.00 0.00 61.98 59.76 3ifu s VAL 41 Cb -0.80 -3.60 0.53 0.00 0.00 0.00 0.00 36.38 32.51 3ifu s VAL 41 CO 0.58 -0.95 1.60 -0.65 0.00 0.00 0.00 175.10 175.67 3ifu h PRO 42 N 6.80 0.03 0.00 2.72 0.11 -1.91 0.33 132.00 140.09 3ifu h PRO 42 Ca 0.05 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3ifu h PRO 42 Cb 0.92 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3ifu h PRO 42 CO 0.75 0.02 0.00 0.39 -0.21 0.00 0.00 178.00 178.95 3ifu n GLU 43 N -4.63 0.01 -1.71 1.05 4.71 -1.26 -3.22 120.64 115.59 3ifu n GLU 43 Ca 0.40 0.27 -0.29 0.00 -0.01 0.00 0.00 57.16 57.53 3ifu n GLU 43 Cb 1.57 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 30.55 3ifu n GLU 43 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3ifu n LEU 44 N -1.48 6.20 0.00 -4.62 4.77 0.12 -1.66 117.00 120.33 3ifu n LEU 44 Ca 0.03 -4.54 0.00 0.00 -0.03 0.00 0.00 56.01 51.47 3ifu n LEU 44 Cb 0.15 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3ifu n LEU 44 CO 0.12 1.82 0.00 0.61 -1.33 0.00 0.00 177.39 178.61 3ifu n GLY 45 N -0.81 1.29 0.34 -0.72 0.00 0.22 0.10 105.19 105.61 3ifu n GLY 45 Ca 0.53 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.56 3ifu n GLY 45 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ifu h VAL 46 N 0.00 1.23 -0.86 1.61 2.07 -1.86 -2.78 116.25 115.66 3ifu h VAL 46 Ca 0.00 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3ifu h VAL 46 Cb 0.00 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 3ifu h VAL 46 CO 0.00 0.26 0.55 0.25 0.02 0.00 0.00 177.57 178.65 3ifu h LEU 47 N 1.02 1.00 -1.14 2.57 5.85 -1.51 -1.58 115.31 121.53 3ifu h LEU 47 Ca 0.25 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3ifu h LEU 47 Cb 0.08 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3ifu h LEU 47 CO -0.04 0.75 0.00 0.61 -0.34 0.00 0.00 178.44 179.42 3ifu n GLY 48 N -1.29 -0.94 0.00 3.75 0.00 0.28 0.42 105.19 107.42 3ifu n GLY 48 Ca 0.09 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.39 3ifu n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ifu n LEU 49 N -2.19 0.00 0.00 0.99 4.77 -0.59 -2.44 117.00 117.53 3ifu n LEU 49 Ca -0.00 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3ifu n LEU 49 Cb 0.08 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3ifu n LEU 49 CO 0.11 -0.05 -0.08 0.49 -1.33 0.00 0.00 177.39 176.53 3ifu n PHE 50 N -1.42 0.00 -4.21 -1.77 3.01 -0.10 -0.20 117.46 112.77 3ifu n PHE 50 Ca 0.09 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.20 3ifu n PHE 50 Cb 0.26 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.60 3ifu n PHE 50 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 3ifu s TYR 51 N -1.16 2.97 -0.34 1.38 5.04 0.17 -4.75 117.35 120.66 3ifu s TYR 51 Ca 0.00 -0.61 0.03 0.00 -2.44 0.00 0.00 57.07 54.06 3ifu s TYR 51 Cb 0.00 -2.02 0.10 0.00 0.35 0.00 0.00 41.96 40.39 3ifu s TYR 51 CO 0.00 -0.29 0.05 0.50 -1.34 0.00 0.00 175.55 174.47 3ifu s ARG 52 N 0.91 1.39 1.29 4.97 3.52 -0.55 -4.16 118.95 126.32 3ifu s ARG 52 Ca -0.00 -1.78 -0.19 0.00 -0.13 0.00 0.00 55.73 53.63 3ifu s ARG 52 Cb -0.15 -3.06 0.30 0.00 -1.56 0.00 0.00 34.95 30.49 3ifu s ARG 52 CO 0.01 -0.94 0.72 -0.35 -0.81 0.00 0.00 175.30 173.93 3ifu n PRO 53 N 4.33 -3.51 0.03 5.12 -0.04 -1.26 -3.18 135.00 136.48 3ifu n PRO 53 Ca 0.03 -1.03 -0.14 0.00 -0.04 0.00 0.00 63.50 62.33 3ifu n PRO 53 Cb 0.42 -1.88 -0.14 0.00 -0.04 0.00 0.00 33.50 31.86 3ifu n PRO 53 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ifu h GLU 54 N -3.09 0.14 0.00 0.54 4.39 -1.96 -3.46 114.58 111.15 3ifu h GLU 54 Ca -0.45 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.00 3ifu h GLU 54 Cb 1.24 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3ifu h GLU 54 CO 0.31 0.91 0.00 0.39 -1.16 0.00 0.00 179.01 179.47 3ifu n GLU 55 N -3.31 0.30 0.00 2.33 1.02 -1.26 -5.15 120.64 114.57 3ifu n GLU 55 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 3ifu n GLU 55 Cb 1.04 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.46 3ifu n GLU 55 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3ifu n PRO 56 N 0.00 -0.15 -0.05 3.49 -0.02 -1.26 -5.01 135.00 132.00 3ifu n PRO 56 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 3ifu n PRO 56 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 3ifu n PRO 56 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ifu n LEU 57 N 0.00 1.19 0.00 2.45 4.32 -1.26 -4.93 117.00 118.77 3ifu n LEU 57 Ca 0.00 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 3ifu n LEU 57 Cb 0.00 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 3ifu n LEU 57 CO 0.00 0.02 0.00 -2.11 -1.22 0.00 0.00 177.39 174.08 3ifu n ARG 58 N -3.76 0.00 -3.56 3.23 1.85 -1.26 -4.93 116.66 108.23 3ifu n ARG 58 Ca -0.21 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.56 3ifu n ARG 58 Cb 0.55 -0.97 -0.04 0.00 -1.05 0.00 0.00 32.46 30.95 3ifu n ARG 58 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 177.63 179.29 3ifu s TRP 59 N -2.56 -0.31 0.36 2.89 1.48 -1.26 -5.13 118.94 114.41 3ifu s TRP 59 Ca 0.00 0.39 0.09 0.00 -1.06 0.00 0.00 56.10 55.52 3ifu s TRP 59 Cb 0.00 0.49 -0.07 0.00 -1.16 0.00 0.00 33.47 32.73 3ifu s TRP 59 CO 0.00 -0.37 -0.04 -0.08 -4.06 0.00 0.00 176.95 172.40 3ifu s THR 60 N -1.95 2.26 -0.17 0.66 -1.32 -1.26 -5.01 115.64 108.85 3ifu s THR 60 Ca 0.02 -2.09 -0.00 0.00 -1.21 0.00 0.00 61.69 58.41 3ifu s THR 60 Cb -0.01 -2.77 0.04 0.00 -1.51 0.00 0.00 72.50 68.25 3ifu s THR 60 CO -0.03 -0.15 -0.06 -0.22 -2.21 0.00 0.00 174.62 171.96 3ifu s LEU 61 N -3.67 1.73 -0.03 9.08 2.96 -0.66 -5.03 118.68 123.06 3ifu s LEU 61 Ca 0.34 -0.71 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 3ifu s LEU 61 Cb 0.04 -0.96 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 3ifu s LEU 61 CO 0.18 -0.18 1.38 -2.84 -1.32 0.00 0.00 176.35 173.56 3ifu s PRO 62 N 1.60 4.28 0.32 0.98 0.02 -1.26 -0.61 135.00 140.33 3ifu s PRO 62 Ca 0.00 1.91 -0.29 0.00 0.02 0.00 0.00 61.00 62.64 3ifu s PRO 62 Cb -0.16 -3.61 -0.11 0.00 0.02 0.00 0.00 34.50 30.64 3ifu s PRO 62 CO -0.08 -0.59 1.55 1.03 -0.33 0.00 0.00 177.00 178.59 3ifu s ARG 63 N 2.57 4.12 0.02 5.54 1.81 -1.26 -4.73 118.95 127.03 3ifu s ARG 63 Ca 0.62 2.57 -0.02 0.00 -1.72 0.00 0.00 55.73 57.19 3ifu s ARG 63 Cb -0.30 -3.01 0.01 0.00 -0.45 0.00 0.00 34.95 31.21 3ifu s ARG 63 CO 0.25 -0.59 0.10 0.00 -0.68 0.00 0.00 175.30 174.37 3ifu n ALA 64 N 1.57 -0.25 -2.76 2.13 0.00 -1.26 -5.04 120.51 114.91 3ifu n ALA 64 Ca 0.06 -0.11 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 3ifu n ALA 64 Cb 0.38 0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 3ifu n ALA 64 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ifu s PHE 65 N -6.33 3.27 0.07 0.00 0.08 -1.26 -4.86 117.98 108.96 3ifu s PHE 65 Ca 0.02 0.23 -0.31 0.00 0.12 0.00 0.00 56.93 56.99 3ifu s PHE 65 Cb -0.00 -1.77 -0.07 0.00 -0.57 0.00 0.00 43.02 40.61 3ifu s PHE 65 CO 0.01 0.54 1.38 -2.14 -0.10 0.00 0.00 175.22 174.91 3ifu s PRO 66 N -1.43 4.32 0.51 0.24 0.02 -1.26 -4.64 135.00 132.76 3ifu s PRO 66 Ca 0.19 2.02 -0.06 0.00 0.02 0.00 0.00 61.00 63.17 3ifu s PRO 66 Cb -0.12 -3.37 -0.04 0.00 0.02 0.00 0.00 34.50 31.00 3ifu s PRO 66 CO 0.10 -0.47 0.84 0.99 -0.33 0.00 0.00 177.00 178.12 3ifu s THR 67 N 1.55 4.85 -0.18 0.99 2.01 -0.83 -4.91 115.64 119.12 3ifu s THR 67 Ca 0.64 0.33 0.13 0.00 0.31 0.00 0.00 61.69 63.10 3ifu s THR 67 Cb -0.34 -3.86 0.13 0.00 0.01 0.00 0.00 72.50 68.43 3ifu s THR 67 CO 0.29 -0.91 1.31 1.33 -0.69 0.00 0.00 174.62 175.95 3ifu n VAL 68 N -2.36 0.88 0.00 3.82 0.24 -1.26 -2.24 118.33 117.40 3ifu n VAL 68 Ca 0.02 0.70 0.00 0.00 -2.04 0.00 0.00 64.34 63.01 3ifu n VAL 68 Cb 0.55 -1.70 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 3ifu n VAL 68 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3ifu n GLU 69 N -1.97 2.10 -3.99 7.34 0.28 -1.26 -4.26 120.64 118.88 3ifu n GLU 69 Ca -0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.67 3ifu n GLU 69 Cb 0.21 -0.80 -0.14 0.00 1.43 0.00 0.00 31.44 32.14 3ifu n GLU 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ifu s SER 71 N 1.13 -0.29 0.33 0.00 0.15 -1.26 -1.97 113.70 111.80 3ifu s SER 71 Ca 0.03 0.78 -0.29 0.00 0.70 0.00 0.00 55.95 57.17 3ifu s SER 71 Cb -0.20 0.78 -0.12 0.00 -1.71 0.00 0.00 66.02 64.77 3ifu s SER 71 CO -0.06 -0.20 1.50 -2.65 1.20 0.00 0.00 173.24 173.03 3ifu n PRO 72 N 4.61 2.59 -1.69 5.44 -0.02 -1.26 -4.60 135.00 140.07 3ifu n PRO 72 Ca -0.19 0.91 -0.51 0.00 -2.02 0.00 0.00 63.50 61.70 3ifu n PRO 72 Cb 0.53 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.31 3ifu n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ifu n ALA 73 N 1.14 0.56 0.00 3.55 0.00 -1.21 -1.87 120.51 122.69 3ifu n ALA 73 Ca 0.05 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3ifu n ALA 73 Cb 0.37 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.41 3ifu n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifu n GLY 74 N 4.27 2.93 2.19 0.00 0.00 -1.26 -4.76 105.19 108.56 3ifu n GLY 74 Ca 0.23 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3ifu n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifu n ALA 75 N 0.00 2.06 0.26 4.61 0.00 -0.74 -4.79 120.51 121.90 3ifu n ALA 75 Ca 0.00 -3.40 0.08 0.00 0.00 0.00 0.00 53.44 50.12 3ifu n ALA 75 Cb 0.00 -0.91 0.37 0.00 0.00 0.00 0.00 19.45 18.91 3ifu n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ifu h TRP 77 N 0.00 0.00 0.00 0.00 5.08 -1.83 -1.23 115.95 117.96 3ifu h TRP 77 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 3ifu h TRP 77 Cb 0.15 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.31 3ifu h TRP 77 CO 0.00 0.00 -0.02 -0.07 -1.28 0.00 0.00 178.44 177.07 3ifu h LEU 78 N 0.00 0.00 0.00 0.11 3.38 -1.71 -0.15 115.31 116.94 3ifu h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifu h LEU 78 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ifu h LEU 78 CO 0.00 0.02 -0.42 -1.28 0.09 0.00 0.00 178.44 176.86 3ifu h SER 79 N 0.00 0.00 0.33 -0.43 0.87 -1.39 0.31 113.55 113.24 3ifu h SER 79 Ca -0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3ifu h SER 79 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3ifu h SER 79 CO 0.00 0.07 -0.91 0.00 -0.53 0.00 0.00 176.83 175.46 3ifu n ALA 80 N -1.83 3.78 0.09 6.23 0.00 -0.08 -3.87 120.51 124.83 3ifu n ALA 80 Ca 0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 3ifu n ALA 80 Cb 0.44 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 3ifu n ALA 80 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ifu h ILE 81 N 0.00 0.50 0.13 0.00 2.04 -1.64 -2.37 117.51 116.17 3ifu h ILE 81 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3ifu h ILE 81 Cb 0.62 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3ifu h ILE 81 CO 0.00 0.00 -0.06 0.15 0.00 0.00 0.00 178.15 178.24 3ifu h PHE 82 N -0.39 -0.16 -0.76 1.37 3.57 -1.83 -2.23 116.94 116.50 3ifu h PHE 82 Ca 0.04 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.60 3ifu h PHE 82 Cb 0.43 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 3ifu h PHE 82 CO -0.23 0.05 0.45 -1.35 -2.23 0.00 0.00 178.31 175.00 3ifu h PRO 83 N -0.35 0.79 -0.69 6.41 0.11 -1.80 0.12 132.00 136.59 3ifu h PRO 83 Ca -0.02 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 3ifu h PRO 83 Cb 0.28 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 3ifu h PRO 83 CO 0.03 0.52 0.13 0.82 -0.21 0.00 0.00 178.00 179.29 3ifu h ILE 84 N 0.81 1.26 -0.33 4.15 2.04 -1.43 -1.73 117.51 122.29 3ifu h ILE 84 Ca 0.34 -1.03 -0.10 0.00 1.00 0.00 0.00 64.86 65.07 3ifu h ILE 84 Cb 0.20 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3ifu h ILE 84 CO -0.19 0.39 -0.19 0.00 0.00 0.00 0.00 178.15 178.16 3ifu h ALA 85 N 1.07 0.46 -0.42 1.87 0.00 -0.79 -2.41 119.26 119.04 3ifu h ALA 85 Ca 0.21 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3ifu h ALA 85 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ifu h ALA 85 CO 0.01 0.41 0.00 -0.09 0.00 0.00 0.00 179.25 179.58 3ifu h ARG 86 N 0.48 0.73 0.00 0.00 9.65 -0.65 -2.57 114.38 122.02 3ifu h ARG 86 Ca 0.07 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 3ifu h ARG 86 Cb 0.74 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 3ifu h ARG 86 CO 0.06 0.81 0.00 -1.33 2.80 0.00 0.00 179.97 182.31 3ifu n MET 87 N -4.43 0.15 -0.19 0.20 2.81 -0.66 -3.21 117.12 111.79 3ifu n MET 87 Ca -0.01 0.27 0.07 0.00 -1.81 0.00 0.00 57.70 56.23 3ifu n MET 87 Cb 0.29 -1.73 0.17 0.00 -0.71 0.00 0.00 33.22 31.25 3ifu n MET 87 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3ifu n THR 88 N -1.99 0.79 -4.22 2.03 -1.04 -0.91 -4.80 114.28 104.14 3ifu n THR 88 Ca 0.04 -0.89 -0.15 0.00 -2.04 0.00 0.00 64.05 61.01 3ifu n THR 88 Cb 0.29 0.67 -0.09 0.00 -1.82 0.00 0.00 70.33 69.38 3ifu n THR 88 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ifu s SER 89 N -1.05 0.74 0.00 8.00 1.04 -1.00 -5.02 113.70 116.41 3ifu s SER 89 Ca 0.28 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.20 3ifu s SER 89 Cb 0.15 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3ifu s SER 89 CO 0.21 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3ifu n GLY 90 N -0.42 4.03 0.16 7.32 0.00 -1.26 -4.93 105.19 110.09 3ifu n GLY 90 Ca 0.04 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 3ifu n GLY 90 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ifu h ASN 91 N 0.00 -0.26 -2.80 1.61 4.21 -2.02 -3.04 115.58 113.27 3ifu h ASN 91 Ca 0.00 -0.25 -0.80 0.00 1.21 0.00 0.00 56.30 56.47 3ifu h ASN 91 Cb 0.00 0.07 -0.26 0.00 -1.12 0.00 0.00 38.32 37.01 3ifu h ASN 91 CO 0.00 0.15 0.92 0.18 -1.29 0.00 0.00 177.43 177.39 3ifu n LEU 92 N -5.05 6.17 0.00 1.61 7.99 -1.26 -3.90 117.00 122.57 3ifu n LEU 92 Ca -0.09 -5.05 0.00 0.00 -0.01 0.00 0.00 56.01 50.87 3ifu n LEU 92 Cb 0.26 -1.37 0.00 0.00 -0.11 0.00 0.00 43.42 42.19 3ifu n LEU 92 CO 0.30 1.51 0.00 -3.20 -1.51 0.00 0.00 177.39 174.48 3ifu n ASN 93 N 2.28 0.00 -0.11 -1.43 5.15 -1.25 -5.05 115.26 114.85 3ifu n ASN 93 Ca 0.28 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.21 3ifu n ASN 93 Cb 0.36 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.62 3ifu n ASN 93 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3ifu h PHE 94 N 0.00 -0.32 -0.12 1.20 3.57 -1.64 -2.51 116.94 117.12 3ifu h PHE 94 Ca 0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 3ifu h PHE 94 Cb 0.00 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3ifu h PHE 94 CO 0.00 -0.21 -0.13 1.96 -2.23 0.00 0.00 178.31 177.70 3ifu h GLN 95 N -0.06 -0.16 -0.39 1.11 4.20 -1.91 0.22 115.11 118.12 3ifu h GLN 95 Ca 0.19 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.97 3ifu h GLN 95 Cb 0.34 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 3ifu h GLN 95 CO -0.42 -0.10 0.06 0.37 -0.67 0.00 0.00 178.83 178.06 3ifu h GLN 96 N -0.16 0.17 -0.31 1.46 4.15 -1.97 -1.45 115.11 117.01 3ifu h GLN 96 Ca 0.09 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.52 3ifu h GLN 96 Cb 0.29 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 3ifu h GLN 96 CO -0.21 0.11 0.15 -0.09 -1.93 0.00 0.00 178.83 176.86 3ifu h ARG 97 N 0.18 0.30 -0.51 1.69 9.65 -0.94 -1.88 114.38 122.87 3ifu h ARG 97 Ca 0.19 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.11 3ifu h ARG 97 Cb 0.24 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.70 3ifu h ARG 97 CO -0.26 0.20 0.24 1.98 2.80 0.00 0.00 179.97 184.92 3ifu h MET 98 N 0.31 0.44 -0.75 0.20 4.05 -0.04 -0.61 114.93 118.53 3ifu h MET 98 Ca 0.13 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.47 3ifu h MET 98 Cb 0.05 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 3ifu h MET 98 CO -0.09 0.29 0.26 0.28 0.23 0.00 0.00 176.91 177.89 3ifu h VAL 99 N 0.46 1.26 -0.07 -5.77 2.07 -1.00 -1.82 116.25 111.37 3ifu h VAL 99 Ca 0.23 -0.86 -0.21 0.00 0.82 0.00 0.00 66.70 66.68 3ifu h VAL 99 Cb 0.19 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3ifu h VAL 99 CO -0.19 0.34 -0.83 0.03 0.02 0.00 0.00 177.57 176.95 3ifu h ARG 100 N 1.10 0.56 -0.42 1.57 2.47 -0.98 -2.76 114.38 115.91 3ifu h ARG 100 Ca 0.25 -0.50 -0.07 0.00 -1.26 0.00 0.00 59.98 58.40 3ifu h ARG 100 Cb 0.26 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 3ifu h ARG 100 CO -0.01 1.12 -0.00 0.28 0.56 0.00 0.00 179.97 181.92 3ifu h VAL 101 N 0.36 1.26 0.06 2.04 2.07 -1.02 -2.08 116.25 118.94 3ifu h VAL 101 Ca -0.06 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 3ifu h VAL 101 Cb 1.44 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3ifu h VAL 101 CO 0.15 0.35 -0.03 0.00 0.02 0.00 0.00 177.57 178.06 3ifu h ALA 102 N 0.89 -0.09 -0.61 1.67 0.00 -1.39 -2.28 119.26 117.46 3ifu h ALA 102 Ca 0.12 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3ifu h ALA 102 Cb 0.49 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 3ifu h ALA 102 CO 0.02 -0.44 0.24 0.00 0.00 0.00 0.00 179.25 179.07 3ifu h ALA 103 N 0.61 0.79 0.55 0.00 0.00 -1.50 0.30 119.26 120.02 3ifu h ALA 103 Ca -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ifu h ALA 103 Cb 0.27 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3ifu h ALA 103 CO 0.01 -0.18 -0.26 0.93 0.00 0.00 0.00 179.25 179.76 3ifu h GLU 104 N 0.43 -0.71 -0.17 0.00 4.39 -1.32 -1.50 114.58 115.70 3ifu h GLU 104 Ca 0.30 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.05 3ifu h GLU 104 Cb 0.36 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3ifu h GLU 104 CO -0.29 -0.46 0.09 0.82 -1.16 0.00 0.00 179.01 178.01 3ifu h ILE 105 N -0.76 1.09 -0.59 3.13 2.04 -1.06 -1.59 117.51 119.78 3ifu h ILE 105 Ca -0.07 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.63 3ifu h ILE 105 Cb 0.57 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3ifu h ILE 105 CO 0.12 0.08 0.26 1.88 0.00 0.00 0.00 178.15 180.49 3ifu h TYR 106 N 0.18 0.46 0.09 1.37 -1.99 -0.42 0.37 116.97 117.03 3ifu h TYR 106 Ca 0.06 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.82 3ifu h TYR 106 Cb 0.05 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.65 3ifu h TYR 106 CO -0.05 0.17 -0.11 -0.09 -0.00 0.00 0.00 178.16 178.09 3ifu h ARG 107 N 0.48 -0.22 0.00 4.88 2.43 -0.97 -1.95 114.38 119.02 3ifu h ARG 107 Ca 0.28 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 3ifu h ARG 107 Cb 0.28 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3ifu h ARG 107 CO -0.24 -0.15 -0.13 0.00 -1.51 0.00 0.00 179.97 177.94 3ifu h ALA 108 N 0.66 1.23 -1.53 2.80 0.00 -0.78 -3.46 119.26 118.18 3ifu h ALA 108 Ca 0.01 -0.12 -0.39 0.00 0.00 0.00 0.00 54.91 54.42 3ifu h ALA 108 Cb 0.24 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 3ifu h ALA 108 CO -0.05 0.17 -0.40 0.41 0.00 0.00 0.00 179.25 179.38 3ifu n GLY 109 N -0.55 1.07 3.60 0.00 0.00 0.12 -4.90 105.19 104.53 3ifu n GLY 109 Ca -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.92 3ifu n GLY 109 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ifu s GLN 110 N -4.07 0.22 -0.13 1.61 -2.07 -1.23 -4.99 119.66 109.00 3ifu s GLN 110 Ca 0.00 -0.11 -0.03 0.00 -1.82 0.00 0.00 55.36 53.39 3ifu s GLN 110 Cb 0.00 0.08 -0.03 0.00 -1.09 0.00 0.00 33.01 31.97 3ifu s GLN 110 CO 0.00 -0.10 -0.03 -1.17 -1.32 0.00 0.00 175.29 172.67 3ifu s LEU 111 N -2.79 3.34 0.11 2.60 2.96 -0.86 -4.85 118.68 119.19 3ifu s LEU 111 Ca 0.14 -0.05 -0.10 0.00 -0.22 0.00 0.00 54.13 53.90 3ifu s LEU 111 Cb 0.05 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.95 3ifu s LEU 111 CO -0.05 0.23 0.25 0.28 -1.32 0.00 0.00 176.35 175.74 3ifu s THR 112 N -0.02 0.12 0.42 3.68 -1.32 -1.26 -1.80 115.64 115.45 3ifu s THR 112 Ca 0.02 -1.11 0.16 0.00 -1.21 0.00 0.00 61.69 59.55 3ifu s THR 112 Cb -0.13 -1.40 0.36 0.00 -1.51 0.00 0.00 72.50 69.82 3ifu s THR 112 CO 0.02 -0.52 1.89 -0.65 -2.21 0.00 0.00 174.62 173.15 3ifu h PRO 113 N 2.64 0.42 -0.43 7.08 0.11 -1.79 -0.09 132.00 139.93 3ifu h PRO 113 Ca -0.33 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.61 3ifu h PRO 113 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3ifu h PRO 113 CO 0.53 0.28 -0.27 1.15 -0.21 0.00 0.00 178.00 179.48 3ifu h THR 114 N 0.43 1.27 0.00 -1.15 2.02 -1.95 -1.27 112.91 112.26 3ifu h THR 114 Ca 0.41 -1.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.07 3ifu h THR 114 Cb 0.97 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3ifu h THR 114 CO -0.15 0.49 -0.44 0.58 0.37 0.00 0.00 175.52 176.37 3ifu h VAL 115 N 0.77 1.18 -0.01 3.16 2.07 -1.47 -1.10 116.25 120.86 3ifu h VAL 115 Ca 0.09 -1.57 -0.18 0.00 0.82 0.00 0.00 66.70 65.86 3ifu h VAL 115 Cb 0.85 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 3ifu h VAL 115 CO 0.07 0.43 -0.80 -0.07 0.02 0.00 0.00 177.57 177.23 3ifu h LEU 116 N 0.00 0.14 -0.23 2.57 3.38 -0.93 -2.39 115.31 117.85 3ifu h LEU 116 Ca -0.00 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 3ifu h LEU 116 Cb 0.84 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3ifu h LEU 116 CO 0.06 0.88 -0.32 0.11 0.09 0.00 0.00 178.44 179.26 3ifu h LYS 117 N 0.06 0.62 -0.59 1.13 1.57 -0.83 -1.60 116.57 116.93 3ifu h LYS 117 Ca -0.02 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.41 3ifu h LYS 117 Cb 1.40 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.70 3ifu h LYS 117 CO 0.11 0.97 0.39 1.15 -0.57 0.00 0.00 179.45 181.50 3ifu h THR 118 N 0.31 1.12 -0.02 -0.16 2.02 -1.18 0.04 112.91 115.05 3ifu h THR 118 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3ifu h THR 118 Cb 0.89 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3ifu h THR 118 CO 0.07 0.14 0.00 0.18 0.37 0.00 0.00 175.52 176.28 3ifu n LEU 119 N -4.45 0.81 -4.17 2.58 4.77 -0.90 -4.93 117.00 110.71 3ifu n LEU 119 Ca 0.06 -0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.44 3ifu n LEU 119 Cb 0.08 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3ifu n LEU 119 CO 0.35 0.14 -0.17 0.00 -1.33 0.00 0.00 177.39 176.39 3ifu n GLN 120 N -0.35 -2.75 -0.22 3.23 6.02 0.00 -4.84 117.38 118.47 3ifu n GLN 120 Ca 0.20 0.33 -0.06 0.00 -0.01 0.00 0.00 57.00 57.46 3ifu n GLN 120 Cb 0.23 -4.67 0.04 0.00 1.02 0.00 0.00 30.24 26.86 3ifu n GLN 120 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3ifu h VAL 121 N -1.61 1.18 -0.09 5.09 2.07 -1.66 -2.28 116.25 118.95 3ifu h VAL 121 Ca -0.61 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 3ifu h VAL 121 Cb 1.38 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3ifu h VAL 121 CO 0.73 0.19 -0.09 0.22 0.02 0.00 0.00 177.57 178.63 3ifu h TYR 122 N 0.85 0.27 0.00 1.57 3.20 -1.81 -1.82 116.97 119.23 3ifu h TYR 122 Ca 0.23 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3ifu h TYR 122 Cb -0.02 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 3ifu h TYR 122 CO -0.02 0.66 -0.07 1.05 -1.64 0.00 0.00 178.16 178.14 3ifu h GLU 123 N -0.20 0.00 -0.04 1.82 4.11 -1.86 -1.48 114.58 116.93 3ifu h GLU 123 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 3ifu h GLU 123 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3ifu h GLU 123 CO 0.02 0.07 0.00 0.54 0.07 0.00 0.00 179.01 179.71 3ifu n ARG 124 N -3.78 1.41 0.00 1.06 1.74 -0.86 -4.92 116.66 111.31 3ifu n ARG 124 Ca -0.02 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.45 3ifu n ARG 124 Cb 0.17 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3ifu n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ifu n GLY 125 N 1.07 0.93 3.81 -0.13 0.00 -0.56 -4.86 105.19 105.45 3ifu n GLY 125 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3ifu n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifu s ARG 127 N -1.69 0.30 0.28 0.00 1.81 -0.44 -4.28 118.95 114.92 3ifu s ARG 127 Ca 0.39 -0.50 -0.10 0.00 -1.72 0.00 0.00 55.73 53.79 3ifu s ARG 127 Cb -0.18 -0.01 -0.07 0.00 -0.45 0.00 0.00 34.95 34.24 3ifu s ARG 127 CO 0.21 -0.01 0.62 -1.58 -0.68 0.00 0.00 175.30 173.86 3ifu s TRP 128 N -1.11 3.42 -0.03 -0.53 0.52 -1.26 -1.17 118.94 118.79 3ifu s TRP 128 Ca -0.11 0.94 -0.04 0.00 0.02 0.00 0.00 56.10 56.91 3ifu s TRP 128 Cb -0.08 -2.32 0.01 0.00 -1.15 0.00 0.00 33.47 29.93 3ifu s TRP 128 CO -0.01 0.17 0.11 0.71 0.02 0.00 0.00 176.95 177.96 3ifu s TYR 129 N -1.96 -0.08 -0.02 -1.98 2.02 0.00 -2.21 117.35 113.12 3ifu s TYR 129 Ca 0.49 0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 57.09 3ifu s TYR 129 Cb -0.11 0.02 -0.05 0.00 -0.40 0.00 0.00 41.96 41.42 3ifu s TYR 129 CO 0.23 -0.10 1.34 -2.14 -1.57 0.00 0.00 175.55 173.30 3ifu s PRO 130 N -0.23 4.30 0.09 -1.71 0.02 -1.26 -0.79 135.00 135.42 3ifu s PRO 130 Ca -0.03 1.87 -0.31 0.00 0.02 0.00 0.00 61.00 62.55 3ifu s PRO 130 Cb -0.02 -3.58 -0.09 0.00 0.02 0.00 0.00 34.50 30.82 3ifu s PRO 130 CO 0.00 -0.55 1.73 0.42 -0.33 0.00 0.00 177.00 178.27 3ifu s ILE 131 N 2.42 2.81 0.00 2.83 1.01 -0.18 -4.81 121.20 125.29 3ifu s ILE 131 Ca 0.61 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.56 3ifu s ILE 131 Cb -0.29 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 38.99 3ifu s ILE 131 CO 0.25 -0.00 0.44 1.33 0.00 0.00 0.00 174.94 176.95 3ifu n VAL 132 N 4.72 0.15 -1.62 2.92 0.24 -1.26 -4.97 118.33 118.50 3ifu n VAL 132 Ca 0.17 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3ifu n VAL 132 Cb 0.39 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 3ifu n VAL 132 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ifu n GLY 133 N -0.07 -1.87 3.77 7.63 0.00 -1.26 -5.15 105.19 108.23 3ifu n GLY 133 Ca 0.00 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 3ifu n GLY 133 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ifu s PRO 134 N -1.69 4.11 -0.10 1.61 0.02 -1.26 -5.04 135.00 132.65 3ifu s PRO 134 Ca 0.00 2.12 0.02 0.00 0.02 0.00 0.00 61.00 63.16 3ifu s PRO 134 Cb 0.00 -2.85 0.01 0.00 0.02 0.00 0.00 34.50 31.68 3ifu s PRO 134 CO 0.00 -0.36 -0.15 0.08 -0.33 0.00 0.00 177.00 176.23 3ifu s VAL 135 N -1.24 1.47 0.62 3.83 1.01 -1.26 -5.14 120.40 119.69 3ifu s VAL 135 Ca 0.54 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 3ifu s VAL 135 Cb -0.37 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3ifu s VAL 135 CO 0.48 0.43 1.03 -2.16 0.00 0.00 0.00 175.10 174.89 3ifu s PRO 136 N 0.88 3.51 1.57 2.72 0.04 -1.26 -4.94 135.00 137.52 3ifu s PRO 136 Ca -0.09 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.79 3ifu s PRO 136 Cb -0.15 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3ifu s PRO 136 CO 0.00 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.81 3ifu n GLY 137 N -2.34 -1.60 3.80 0.56 0.00 -1.26 -4.91 105.19 99.44 3ifu n GLY 137 Ca 0.07 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 3ifu n GLY 137 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ifu s VAL 138 N 0.00 4.13 -0.04 1.61 -7.23 -1.26 -5.05 120.40 112.56 3ifu s VAL 138 Ca 0.00 1.42 -0.31 0.00 -1.81 0.00 0.00 61.98 61.29 3ifu s VAL 138 Cb 0.00 -3.63 0.12 0.00 0.56 0.00 0.00 36.38 33.43 3ifu s VAL 138 CO 0.00 -0.19 1.33 -0.83 -0.31 0.00 0.00 175.10 175.10 3ifu s GLY 139 N -1.97 -0.37 -0.22 2.32 0.00 -1.26 -4.82 107.32 101.00 3ifu s GLY 139 Ca 0.61 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.94 3ifu s GLY 139 CO 0.18 1.46 -0.13 0.14 0.00 0.00 0.00 173.10 174.75 3ifu s VAL 140 N -2.23 2.46 0.08 1.40 1.01 -1.04 -4.26 120.40 117.82 3ifu s VAL 140 Ca 0.18 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 3ifu s VAL 140 Cb 0.04 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 3ifu s VAL 140 CO -0.04 0.32 0.39 -0.31 0.00 0.00 0.00 175.10 175.46 3ifu s TYR 141 N 1.28 3.58 0.27 5.22 2.02 0.19 -0.53 117.35 129.38 3ifu s TYR 141 Ca 0.01 0.75 -0.21 0.00 -0.37 0.00 0.00 57.07 57.25 3ifu s TYR 141 Cb -0.16 -2.13 0.03 0.00 -0.40 0.00 0.00 41.96 39.30 3ifu s TYR 141 CO -0.08 0.52 0.78 0.00 -1.57 0.00 0.00 175.55 175.20 3ifu s ALA 142 N -1.41 -1.25 0.00 3.71 0.00 0.52 -0.59 121.76 122.73 3ifu s ALA 142 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3ifu s ALA 142 Cb -0.14 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.77 3ifu s ALA 142 CO 0.18 -1.04 0.00 0.27 0.00 0.00 0.00 175.76 175.18 3ifu n ASN 143 N -0.59 0.00 0.00 0.00 2.04 -0.87 0.14 115.26 115.98 3ifu n ASN 143 Ca -0.05 0.00 0.14 0.00 -0.44 0.00 0.00 54.58 54.23 3ifu n ASN 143 Cb 0.59 0.00 0.67 0.00 -2.53 0.00 0.00 39.78 38.52 3ifu n ASN 143 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 3ifu n SER 144 N 0.00 0.00 0.00 0.53 3.41 -1.23 -3.87 113.62 112.46 3ifu n SER 144 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3ifu n SER 144 Cb 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3ifu n SER 144 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ifu n LEU 145 N -1.35 0.00 -4.29 1.04 4.77 -1.26 -4.27 117.00 111.64 3ifu n LEU 145 Ca 0.11 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 3ifu n LEU 145 Cb 0.25 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 3ifu n LEU 145 CO 0.23 0.00 -0.30 -1.00 -1.33 0.00 0.00 177.39 174.99 3ifu s HIS 146 N -1.26 1.41 0.08 -1.77 3.76 -1.26 -2.60 115.29 113.66 3ifu s HIS 146 Ca 0.00 -1.07 -0.02 0.00 -0.15 0.00 0.00 55.06 53.82 3ifu s HIS 146 Cb 0.00 -0.82 -0.04 0.00 1.11 0.00 0.00 32.58 32.83 3ifu s HIS 146 CO 0.00 -0.24 0.03 0.14 -0.85 0.00 0.00 174.74 173.82 3ifu s VAL 147 N -3.66 0.18 0.18 -0.90 -7.23 -1.26 -2.06 120.40 105.65 3ifu s VAL 147 Ca 0.31 -1.76 -0.23 0.00 -1.81 0.00 0.00 61.98 58.48 3ifu s VAL 147 Cb 0.07 -1.66 0.06 0.00 0.56 0.00 0.00 36.38 35.41 3ifu s VAL 147 CO 0.09 -0.80 0.69 -0.55 -0.31 0.00 0.00 175.10 174.22 3ifu s SER 148 N -2.95 -0.43 0.00 4.85 0.15 0.24 -4.69 113.70 110.87 3ifu s SER 148 Ca 0.12 -0.23 0.27 0.00 0.70 0.00 0.00 55.95 56.81 3ifu s SER 148 Cb 0.07 0.62 0.88 0.00 -1.71 0.00 0.00 66.02 65.88 3ifu s SER 148 CO -0.07 -1.06 1.65 -0.90 1.20 0.00 0.00 173.24 174.06 3ifu n ASP 149 N -0.40 1.65 -4.09 5.45 5.75 -1.25 0.53 116.55 124.18 3ifu n ASP 149 Ca -0.11 -1.49 -0.10 0.00 -0.01 0.00 0.00 54.79 53.08 3ifu n ASP 149 Cb 0.62 0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 40.64 3ifu n ASP 149 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ifu s LYS 150 N -2.07 0.62 0.74 0.11 -0.14 -1.26 -4.37 119.74 113.36 3ifu s LYS 150 Ca 0.35 -1.07 -0.15 0.00 -1.36 0.00 0.00 55.97 53.73 3ifu s LYS 150 Cb 0.21 -0.04 0.04 0.00 -1.68 0.00 0.00 37.83 36.35 3ifu s LYS 150 CO 0.36 -0.04 1.25 -2.14 -0.76 0.00 0.00 175.35 174.02 3ifu s PRO 151 N -3.04 2.04 0.07 -1.68 0.02 -1.26 -4.62 135.00 126.53 3ifu s PRO 151 Ca 0.02 1.91 -0.18 0.00 0.02 0.00 0.00 61.00 62.76 3ifu s PRO 151 Cb 0.01 -1.80 0.04 0.00 0.02 0.00 0.00 34.50 32.76 3ifu s PRO 151 CO -0.05 -1.95 0.43 -0.59 -0.33 0.00 0.00 177.00 174.52 3ifu s PHE 152 N -1.80 -0.28 -0.11 6.54 -0.71 -1.26 -5.08 117.98 115.28 3ifu s PHE 152 Ca 0.78 0.17 -0.31 0.00 -1.04 0.00 0.00 56.93 56.53 3ifu s PHE 152 Cb -0.33 0.26 -0.08 0.00 -1.21 0.00 0.00 43.02 41.66 3ifu s PHE 152 CO 0.46 -0.63 2.07 -2.30 -1.34 0.00 0.00 175.22 173.47 3ifu n PRO 153 N 0.23 2.26 0.00 1.99 -0.02 -1.26 -1.69 135.00 136.51 3ifu n PRO 153 Ca -0.18 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3ifu n PRO 153 Cb 0.61 -2.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 3ifu n PRO 153 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ifu n GLY 154 N 5.14 2.07 3.58 -1.23 0.00 -1.26 -4.65 105.19 108.84 3ifu n GLY 154 Ca 0.26 -0.60 -0.46 0.00 0.00 0.00 0.00 46.02 45.22 3ifu n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifu n ALA 155 N 0.00 -0.48 0.00 4.61 0.00 -0.68 -4.78 120.51 119.18 3ifu n ALA 155 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3ifu n ALA 155 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.44 3ifu n ALA 155 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ifu n THR 156 N 0.58 0.00 -4.08 0.00 -2.24 0.12 -4.92 114.28 103.75 3ifu n THR 156 Ca 0.11 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 3ifu n THR 156 Cb 0.30 0.58 -0.11 0.00 -2.10 0.00 0.00 70.33 69.00 3ifu n THR 156 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ifu s HIS 157 N -1.63 0.63 -0.05 4.78 3.76 -0.28 -1.01 115.29 121.49 3ifu s HIS 157 Ca 0.00 -0.67 0.02 0.00 -0.15 0.00 0.00 55.06 54.25 3ifu s HIS 157 Cb 0.00 -0.39 0.02 0.00 1.11 0.00 0.00 32.58 33.32 3ifu s HIS 157 CO 0.00 -0.15 -0.08 0.54 -0.85 0.00 0.00 174.74 174.20 3ifu s VAL 158 N -2.24 0.81 -0.31 -0.90 0.11 0.03 -0.36 120.40 117.53 3ifu s VAL 158 Ca -0.04 -0.28 -0.15 0.00 -2.93 0.00 0.00 61.98 58.58 3ifu s VAL 158 Cb -0.04 -0.78 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 3ifu s VAL 158 CO -0.02 0.28 0.36 -0.22 -3.33 0.00 0.00 175.10 172.17 3ifu s LEU 159 N 0.80 4.23 0.05 2.54 2.96 0.31 -0.82 118.68 128.76 3ifu s LEU 159 Ca -0.13 0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 3ifu s LEU 159 Cb -0.15 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.16 3ifu s LEU 159 CO 0.02 -0.26 0.18 0.28 -1.32 0.00 0.00 176.35 175.25 3ifu s THR 160 N 2.05 0.12 -2.31 3.68 -1.32 -0.32 -2.48 115.64 115.06 3ifu s THR 160 Ca 0.13 -1.00 0.23 0.00 -1.21 0.00 0.00 61.69 59.84 3ifu s THR 160 Cb -0.16 -1.04 0.46 0.00 -1.51 0.00 0.00 72.50 70.25 3ifu s THR 160 CO 0.11 -0.55 1.41 -0.46 -2.21 0.00 0.00 174.62 172.92 3ifu n ASN 161 N 0.48 3.54 -4.74 8.08 2.04 -1.26 -1.33 115.26 122.07 3ifu n ASN 161 Ca -0.18 -1.99 -0.41 0.00 -0.44 0.00 0.00 54.58 51.57 3ifu n ASN 161 Cb 0.60 -0.29 -0.04 0.00 -2.53 0.00 0.00 39.78 37.51 3ifu n ASN 161 CO 0.00 0.00 0.00 -0.22 -0.44 0.00 0.00 177.26 176.60 3ifu s LEU 162 N -1.36 4.51 -0.88 -4.53 2.96 -1.26 -4.91 118.68 113.21 3ifu s LEU 162 Ca 0.40 2.00 -0.21 0.00 -0.22 0.00 0.00 54.13 56.10 3ifu s LEU 162 Cb 0.23 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 43.19 3ifu s LEU 162 CO 0.31 -0.13 1.96 -0.81 -1.32 0.00 0.00 176.35 176.36 3ifu n PRO 163 N 2.35 1.69 -0.92 0.98 -0.04 -1.26 -4.95 135.00 132.86 3ifu n PRO 163 Ca 0.02 -1.98 -0.31 0.00 -0.04 0.00 0.00 63.50 61.19 3ifu n PRO 163 Cb 0.47 -3.00 0.14 0.00 -0.04 0.00 0.00 33.50 31.07 3ifu n PRO 163 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ifu s LEU 164 N 1.68 2.85 0.14 1.53 1.43 -1.26 -4.98 118.68 120.07 3ifu s LEU 164 Ca 0.56 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.70 3ifu s LEU 164 Cb 0.14 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.78 3ifu s LEU 164 CO 0.09 -2.72 1.33 1.55 0.23 0.00 0.00 176.35 176.82 3ifu h PRO 165 N -1.61 0.18 0.00 1.29 0.13 -2.04 -3.46 132.00 126.50 3ifu h PRO 165 Ca -0.44 -0.23 -0.25 0.00 -0.87 0.00 0.00 66.00 64.21 3ifu h PRO 165 Cb 1.26 0.07 0.15 0.00 0.13 0.00 0.00 31.00 32.61 3ifu h PRO 165 CO 0.46 1.00 -0.12 1.04 -0.23 0.00 0.00 178.00 180.15 3ifu n GLN 166 N -3.60 -4.00 -3.90 0.86 3.00 -1.26 -4.98 117.38 103.50 3ifu n GLN 166 Ca -0.04 -1.00 -0.36 0.00 -0.01 0.00 0.00 57.00 55.60 3ifu n GLN 166 Cb 0.86 -1.30 -0.12 0.00 0.00 0.00 0.00 30.24 29.68 3ifu n GLN 166 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3ifu s ARG 167 N -4.42 3.65 0.77 -1.09 0.52 -1.26 -5.09 118.95 112.03 3ifu s ARG 167 Ca 0.46 -0.49 -0.14 0.00 -0.52 0.00 0.00 55.73 55.03 3ifu s ARG 167 Cb -0.08 -3.21 0.06 0.00 0.52 0.00 0.00 34.95 32.24 3ifu s ARG 167 CO 0.38 -0.08 1.23 -1.25 0.02 0.00 0.00 175.30 175.61 3ifu s PRO 168 N 1.29 1.83 0.18 3.54 0.04 -1.26 -4.75 135.00 135.86 3ifu s PRO 168 Ca 0.04 1.85 -0.25 0.00 0.04 0.00 0.00 61.00 62.68 3ifu s PRO 168 Cb -0.15 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 3ifu s PRO 168 CO 0.02 -2.09 0.79 0.15 0.04 0.00 0.00 177.00 175.91 3ifu s LYS 169 N -3.94 4.58 0.99 4.56 3.01 -0.94 -5.02 119.74 122.98 3ifu s LYS 169 Ca 0.76 1.17 -0.15 0.00 -1.01 0.00 0.00 55.97 56.74 3ifu s LYS 169 Cb -0.31 -3.24 0.00 0.00 -1.01 0.00 0.00 37.83 33.27 3ifu s LYS 169 CO 0.48 0.56 0.04 -2.30 0.51 0.00 0.00 175.35 174.64 3ifu n PRO 170 N 1.54 -0.43 0.00 -1.68 -0.02 -1.26 -4.64 135.00 128.52 3ifu n PRO 170 Ca -0.05 -0.10 0.06 0.00 -2.02 0.00 0.00 63.50 61.39 3ifu n PRO 170 Cb 0.49 -1.64 0.26 0.00 -0.02 0.00 0.00 33.50 32.59 3ifu n PRO 170 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3ifu n GLU 171 N -0.80 0.01 0.02 -0.52 0.28 -1.26 -1.92 120.64 116.45 3ifu n GLU 171 Ca 0.04 0.28 0.13 0.00 -0.16 0.00 0.00 57.16 57.45 3ifu n GLU 171 Cb 0.56 -1.50 0.33 0.00 1.43 0.00 0.00 31.44 32.26 3ifu n GLU 171 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3ifu n ASP 172 N -1.48 0.46 -4.77 -1.84 5.75 -1.26 -4.90 116.55 108.50 3ifu n ASP 172 Ca 0.03 0.08 -0.38 0.00 -0.01 0.00 0.00 54.79 54.51 3ifu n ASP 172 Cb 0.14 -0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.14 3ifu n ASP 172 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3ifu s PHE 173 N -3.05 3.83 -0.23 2.11 5.36 -0.81 -5.06 117.98 120.14 3ifu s PHE 173 Ca 0.10 1.74 -0.09 0.00 -0.96 0.00 0.00 56.93 57.73 3ifu s PHE 173 Cb 0.16 -2.86 0.10 0.00 -0.34 0.00 0.00 43.02 40.08 3ifu s PHE 173 CO 0.66 0.38 0.50 0.00 -1.46 0.00 0.00 175.22 175.30 3ifu h PRO 175 N 7.92 0.00 -4.88 0.00 0.11 -1.97 -3.43 132.00 129.75 3ifu h PRO 175 Ca -0.20 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.57 3ifu h PRO 175 Cb 1.12 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.09 3ifu h PRO 175 CO 0.14 0.00 -0.62 -0.59 -0.21 0.00 0.00 178.00 176.71 3ifu s PHE 176 N -4.53 1.48 -0.10 0.65 -0.12 -1.25 -3.52 117.98 110.58 3ifu s PHE 176 Ca -0.04 -1.14 0.05 0.00 -0.05 0.00 0.00 56.93 55.75 3ifu s PHE 176 Cb 0.14 -0.86 -0.10 0.00 -0.63 0.00 0.00 43.02 41.57 3ifu s PHE 176 CO 0.50 -0.30 -0.03 0.39 -0.05 0.00 0.00 175.22 175.73 3ifu n GLU 177 N -0.42 1.52 -3.29 1.99 -0.58 -1.26 -4.51 120.64 114.09 3ifu n GLU 177 Ca -0.01 0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.68 3ifu n GLU 177 Cb 0.66 -1.24 -0.05 0.00 -0.57 0.00 0.00 31.44 30.23 3ifu n GLU 177 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ifu s ALA 179 N 2.57 3.57 0.00 0.00 0.00 -0.75 -4.69 121.76 122.46 3ifu s ALA 179 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3ifu s ALA 179 Cb -0.12 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.32 3ifu s ALA 179 CO -0.30 -0.57 0.05 -1.33 0.00 0.00 0.00 175.76 173.61