#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s n ARG 3 N 0.00 2.79 -3.47 -0.14 1.85 -1.26 -4.84 116.66 111.59 3i1s n ARG 3 Ca 0.00 -3.12 -0.15 0.00 -1.00 0.00 0.00 57.85 53.58 3i1s n ARG 3 Cb 0.00 -2.24 -0.11 0.00 -1.05 0.00 0.00 32.46 29.05 3i1s n ARG 3 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3i1s s ARG 4 N -3.10 0.24 -1.19 2.89 6.06 -1.26 -5.07 118.95 117.51 3i1s s ARG 4 Ca 0.54 0.39 -0.09 0.00 -2.50 0.00 0.00 55.73 54.06 3i1s s ARG 4 Cb 0.40 -0.81 0.22 0.00 0.06 0.00 0.00 34.95 34.81 3i1s s ARG 4 CO -0.32 -0.60 1.54 1.33 -2.50 0.00 0.00 175.30 174.75 3i1s n VAL 5 N 5.34 4.57 -2.14 7.11 0.24 -1.26 -5.02 118.33 127.17 3i1s n VAL 5 Ca -0.05 -4.98 -0.39 0.00 -2.04 0.00 0.00 64.34 56.88 3i1s n VAL 5 Cb 0.50 -2.37 -0.01 0.00 -1.47 0.00 0.00 33.84 30.49 3i1s n VAL 5 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3i1s s ILE 6 N -0.22 2.81 0.00 1.34 -4.36 -1.26 -5.00 121.20 114.50 3i1s s ILE 6 Ca 0.37 0.70 0.00 0.00 -0.26 0.00 0.00 60.65 61.47 3i1s s ILE 6 Cb 0.02 -3.40 0.00 0.00 1.25 0.00 0.00 42.46 40.32 3i1s s ILE 6 CO 0.01 0.08 0.23 0.61 0.24 0.00 0.00 174.94 176.12 3i1s n GLY 7 N 0.66 -0.64 3.62 6.27 0.00 -1.26 -5.04 105.19 108.80 3i1s n GLY 7 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 3i1s n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i1s s GLN 8 N -0.46 0.33 0.00 1.61 -0.44 -1.26 -5.17 119.66 114.26 3i1s s GLN 8 Ca 0.00 0.15 0.00 0.00 -2.50 0.00 0.00 55.36 53.01 3i1s s GLN 8 Cb 0.00 0.16 0.00 0.00 -1.64 0.00 0.00 33.01 31.53 3i1s s GLN 8 CO 0.00 -0.09 0.00 2.89 0.50 0.00 0.00 175.29 178.59 3i1s n ARG 9 N 0.95 -0.15 -3.15 1.67 1.85 -1.26 -5.09 116.66 111.49 3i1s n ARG 9 Ca -0.07 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.83 3i1s n ARG 9 Cb 0.58 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.99 3i1s n ARG 9 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 3i1s s LYS 10 N -1.79 0.23 0.16 2.89 0.00 -1.26 -5.17 119.74 114.80 3i1s s LYS 10 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 55.97 56.26 3i1s s LYS 10 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 37.83 37.91 3i1s s LYS 10 CO 0.00 -0.42 0.18 0.96 0.00 0.00 0.00 175.35 176.07 3i1s s ILE 11 N 2.93 4.71 0.43 3.79 -4.36 -1.26 -5.09 121.20 122.36 3i1s s ILE 11 Ca 0.22 -0.97 -0.24 0.00 -0.26 0.00 0.00 60.65 59.40 3i1s s ILE 11 Cb -0.04 -3.41 -0.08 0.00 1.25 0.00 0.00 42.46 40.18 3i1s s ILE 11 CO -0.23 -0.10 1.19 -1.48 0.24 0.00 0.00 174.94 174.56 3i1s s LEU 12 N -3.13 4.10 0.00 0.37 -0.00 -1.26 -5.02 118.68 113.74 3i1s s LEU 12 Ca 0.32 2.38 0.00 0.00 -0.00 0.00 0.00 54.13 56.83 3i1s s LEU 12 Cb -0.10 -4.12 0.00 0.00 -0.00 0.00 0.00 46.19 41.97 3i1s s LEU 12 CO 0.25 -0.85 0.00 -0.81 -0.00 0.00 0.00 176.35 174.94 3i1s n PRO 13 N -0.22 -0.93 -1.87 1.48 -0.04 -1.26 -4.87 135.00 127.28 3i1s n PRO 13 Ca 0.06 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.16 3i1s n PRO 13 Cb 0.47 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.98 3i1s n PRO 13 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i1s s ASP 14 N -1.96 4.90 0.00 3.54 2.15 -0.16 -4.84 116.67 120.30 3i1s s ASP 14 Ca 0.00 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.47 3i1s s ASP 14 Cb 0.00 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 3i1s s ASP 14 CO 0.00 -1.80 0.48 -0.81 -0.17 0.00 0.00 175.17 172.88 3i1s n PRO 15 N -1.77 0.00 -0.02 4.34 -0.04 -1.26 -3.99 135.00 132.26 3i1s n PRO 15 Ca 0.15 0.20 -0.07 0.00 -0.04 0.00 0.00 63.50 63.73 3i1s n PRO 15 Cb 0.49 -0.98 -0.06 0.00 -0.04 0.00 0.00 33.50 32.91 3i1s n PRO 15 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3i1s h LYS 16 N 0.00 -0.08 0.00 0.54 1.79 -2.02 -3.43 116.57 113.37 3i1s h LYS 16 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3i1s h LYS 16 Cb 0.00 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 3i1s h LYS 16 CO 0.00 0.34 0.00 0.34 -1.08 0.00 0.00 179.45 179.05 3i1s n PHE 17 N -4.78 0.00 0.00 -1.35 7.35 -1.26 -4.99 117.46 112.42 3i1s n PHE 17 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 3i1s n PHE 17 Cb 0.23 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.06 3i1s n PHE 17 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i1s n GLY 18 N -0.33 0.16 3.75 7.13 0.00 -1.26 -4.99 105.19 109.65 3i1s n GLY 18 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3i1s n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1s s SER 19 N -0.23 6.78 -0.09 1.61 0.15 -1.26 -4.72 113.70 115.93 3i1s s SER 19 Ca 0.00 0.93 -0.16 0.00 0.70 0.00 0.00 55.95 57.42 3i1s s SER 19 Cb 0.00 -2.30 -0.28 0.00 -1.71 0.00 0.00 66.02 61.73 3i1s s SER 19 CO 0.00 0.06 0.60 -0.33 1.20 0.00 0.00 173.24 174.77 3i1s h GLU 20 N 6.19 0.26 0.37 5.44 4.39 -1.96 -0.32 114.58 128.96 3i1s h GLU 20 Ca -0.43 -0.45 -0.02 0.00 0.34 0.00 0.00 59.36 58.80 3i1s h GLU 20 Cb 1.19 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 3i1s h GLU 20 CO 0.72 1.21 -0.18 -0.07 -1.16 0.00 0.00 179.01 179.54 3i1s h LEU 21 N -0.28 -0.42 -1.10 1.33 4.07 -2.00 -2.57 115.31 114.34 3i1s h LEU 21 Ca -0.29 -0.15 0.23 0.00 0.08 0.00 0.00 57.88 57.75 3i1s h LEU 21 Cb 1.78 0.11 -0.11 0.00 1.08 0.00 0.00 40.66 43.51 3i1s h LEU 21 CO 0.08 -0.02 0.62 0.25 -1.08 0.00 0.00 178.44 178.29 3i1s h LEU 22 N -0.89 0.65 -0.88 1.67 6.46 -1.99 0.55 115.31 120.89 3i1s h LEU 22 Ca -0.05 0.11 0.12 0.00 -0.12 0.00 0.00 57.88 57.94 3i1s h LEU 22 Cb 0.54 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.39 3i1s h LEU 22 CO 0.08 0.16 0.50 0.00 -0.62 0.00 0.00 178.44 178.56 3i1s h ALA 23 N 1.68 1.29 0.07 1.25 0.00 -1.15 -1.33 119.26 121.07 3i1s h ALA 23 Ca 0.61 0.04 -0.29 0.00 0.00 0.00 0.00 54.91 55.27 3i1s h ALA 23 Cb 1.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3i1s h ALA 23 CO -0.40 0.07 -1.53 -0.22 0.00 0.00 0.00 179.25 177.18 3i1s h LYS 24 N 0.79 0.15 -0.62 0.00 3.64 -0.86 -3.37 116.57 116.31 3i1s h LYS 24 Ca 0.44 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3i1s h LYS 24 Cb 0.48 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 3i1s h LYS 24 CO -0.28 0.95 0.35 0.35 -2.27 0.00 0.00 179.45 178.54 3i1s h PHE 25 N 0.04 0.83 -0.99 1.91 3.57 -0.33 -1.50 116.94 120.47 3i1s h PHE 25 Ca -0.23 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.45 3i1s h PHE 25 Cb 1.98 -0.27 -0.10 0.00 2.79 0.00 0.00 35.95 40.35 3i1s h PHE 25 CO 0.04 0.59 0.62 -0.39 -2.23 0.00 0.00 178.31 176.93 3i1s h VAL 26 N 0.83 0.68 0.00 1.41 -1.51 -1.42 -0.44 116.25 115.81 3i1s h VAL 26 Ca 0.22 -0.23 -0.14 0.00 -1.23 0.00 0.00 66.70 65.31 3i1s h VAL 26 Cb 0.02 -0.06 -0.02 0.00 -2.13 0.00 0.00 31.29 29.10 3i1s h VAL 26 CO -0.04 0.12 -0.67 0.78 -1.23 0.00 0.00 177.57 176.53 3i1s h ASN 27 N 0.68 0.00 0.58 4.19 4.21 -1.50 -2.38 115.58 121.36 3i1s h ASN 27 Ca 0.57 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 58.02 3i1s h ASN 27 Cb 1.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 3i1s h ASN 27 CO -0.35 0.67 -0.26 0.40 -1.29 0.00 0.00 177.43 176.60 3i1s h ILE 28 N 0.00 0.81 0.00 2.81 1.08 -0.15 -3.33 117.51 118.73 3i1s h ILE 28 Ca -0.01 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.41 3i1s h ILE 28 Cb 1.25 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 36.64 3i1s h ILE 28 CO 0.09 0.26 0.00 -0.11 -0.69 0.00 0.00 178.15 177.69 3i1s n LEU 29 N -3.68 0.00 -0.52 1.44 7.94 -0.68 -4.96 117.00 116.53 3i1s n LEU 29 Ca -0.01 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.90 3i1s n LEU 29 Cb 0.38 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.32 3i1s n LEU 29 CO 0.34 0.00 -0.02 0.23 -1.11 0.00 0.00 177.39 176.83 3i1s n MET 30 N 0.00 -0.16 0.00 1.96 2.81 -0.92 -5.07 117.12 115.74 3i1s n MET 30 Ca 0.00 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 3i1s n MET 30 Cb 0.00 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 3i1s n MET 30 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3i1s n VAL 31 N -2.03 0.00 -4.25 2.03 3.14 -1.26 -4.99 118.33 110.96 3i1s n VAL 31 Ca -0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 3i1s n VAL 31 Cb 0.51 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.25 3i1s n VAL 31 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3i1s n ASP 32 N 0.00 -2.02 -4.43 6.55 9.92 -1.26 0.11 116.55 125.42 3i1s n ASP 32 Ca 0.00 -1.09 -0.38 0.00 -0.53 0.00 0.00 54.79 52.80 3i1s n ASP 32 Cb 0.00 -2.46 -0.09 0.00 -0.64 0.00 0.00 41.12 37.93 3i1s n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i1s n GLY 33 N -1.57 -0.28 2.65 0.44 0.00 -1.26 -4.84 105.19 100.32 3i1s n GLY 33 Ca -0.03 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3i1s n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1s n LYS 34 N -4.25 3.30 -2.19 1.61 5.02 0.12 -4.96 118.16 116.81 3i1s n LYS 34 Ca -0.07 -4.64 -0.31 0.00 -2.02 0.00 0.00 58.31 51.27 3i1s n LYS 34 Cb 0.55 -2.36 -0.05 0.00 -0.02 0.00 0.00 35.03 33.16 3i1s n LYS 34 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3i1s s LYS 35 N -2.64 2.86 0.00 1.97 2.20 -1.26 -3.15 119.74 119.73 3i1s s LYS 35 Ca 0.37 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 3i1s s LYS 35 Cb 0.11 -5.26 0.00 0.00 -1.51 0.00 0.00 37.83 31.18 3i1s s LYS 35 CO 0.03 -3.38 0.00 0.45 -0.36 0.00 0.00 175.35 172.10 3i1s n SER 36 N 12.78 0.00 0.07 1.43 2.88 -1.26 -4.88 113.62 124.64 3i1s n SER 36 Ca 0.43 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 58.16 3i1s n SER 36 Cb 0.47 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.65 3i1s n SER 36 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3i1s h THR 37 N 0.00 0.66 -0.13 2.46 2.02 -1.99 0.88 112.91 116.80 3i1s h THR 37 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 3i1s h THR 37 Cb 0.00 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3i1s h THR 37 CO 0.00 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 175.58 3i1s h ALA 38 N 1.74 1.24 0.00 6.16 0.00 -1.88 0.59 119.26 127.10 3i1s h ALA 38 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i1s h ALA 38 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i1s h ALA 38 CO -0.00 0.51 0.00 0.39 0.00 0.00 0.00 179.25 180.15 3i1s n GLU 39 N -4.11 0.32 0.00 0.00 1.02 0.29 -2.71 120.64 115.45 3i1s n GLU 39 Ca -0.01 0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.28 3i1s n GLU 39 Cb 0.40 -1.50 0.65 0.00 -0.02 0.00 0.00 31.44 30.97 3i1s n GLU 39 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i1s n SER 40 N -1.32 0.00 -1.59 1.62 7.64 0.20 -2.86 113.62 117.31 3i1s n SER 40 Ca 0.12 -1.04 -0.11 0.00 1.01 0.00 0.00 58.87 58.85 3i1s n SER 40 Cb 0.23 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.51 3i1s n SER 40 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3i1s n ILE 41 N -0.90 2.19 -3.57 0.44 5.41 -1.10 -4.54 119.36 117.30 3i1s n ILE 41 Ca 0.16 -3.63 -0.17 0.00 1.00 0.00 0.00 62.75 60.12 3i1s n ILE 41 Cb 0.07 -0.53 -0.07 0.00 -0.71 0.00 0.00 39.64 38.41 3i1s n ILE 41 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3i1s s VAL 42 N -3.85 0.01 0.00 1.39 1.01 -1.13 -4.44 120.40 113.39 3i1s s VAL 42 Ca 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3i1s s VAL 42 Cb 0.39 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.84 3i1s s VAL 42 CO -0.01 -0.04 0.00 -1.22 0.00 0.00 0.00 175.10 173.82 3i1s n TYR 43 N 1.11 0.00 0.00 5.22 0.53 -1.26 -4.41 117.16 118.35 3i1s n TYR 43 Ca -0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.69 3i1s n TYR 43 Cb 0.57 -0.92 0.00 0.00 -1.03 0.00 0.00 39.34 37.95 3i1s n TYR 43 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3i1s n SER 44 N -0.36 0.00 -0.31 7.72 2.88 -1.26 -4.75 113.62 117.54 3i1s n SER 44 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 3i1s n SER 44 Cb 0.18 0.09 0.39 0.00 -0.75 0.00 0.00 64.21 64.12 3i1s n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1s n ALA 45 N -1.69 2.54 0.16 -1.46 0.00 -1.26 -3.11 120.51 115.70 3i1s n ALA 45 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 53.44 53.12 3i1s n ALA 45 Cb 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 3i1s n ALA 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1s n LEU 46 N -0.14 0.20 0.15 0.00 7.94 -1.26 -4.36 117.00 119.53 3i1s n LEU 46 Ca 0.14 -0.52 0.13 0.00 -1.11 0.00 0.00 56.01 54.65 3i1s n LEU 46 Cb 0.20 0.00 0.28 0.00 0.53 0.00 0.00 43.42 44.43 3i1s n LEU 46 CO 0.11 0.05 0.79 -0.33 -1.11 0.00 0.00 177.39 176.89 3i1s h GLU 47 N 0.02 0.00 -1.94 1.96 4.39 -1.84 -3.05 114.58 114.14 3i1s h GLU 47 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 3i1s h GLU 47 Cb 0.08 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.53 3i1s h GLU 47 CO 0.00 0.00 0.56 2.41 -1.16 0.00 0.00 179.01 180.82 3i1s n THR 48 N -2.60 3.36 0.00 1.13 -1.04 -1.24 -3.80 114.28 110.08 3i1s n THR 48 Ca 0.05 -3.19 0.00 0.00 -2.04 0.00 0.00 64.05 58.86 3i1s n THR 48 Cb 0.48 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 3i1s n THR 48 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3i1s n LEU 49 N 0.47 0.00 -0.33 -4.42 -0.00 -1.25 -4.19 117.00 107.28 3i1s n LEU 49 Ca 0.49 0.00 0.36 0.00 -0.00 0.00 0.00 56.01 56.86 3i1s n LEU 49 Cb 0.49 0.00 0.72 0.00 -0.00 0.00 0.00 43.42 44.63 3i1s n LEU 49 CO 0.39 0.00 1.33 0.00 -0.00 0.00 0.00 177.39 179.11 3i1s h ALA 50 N 0.00 3.13 0.00 1.96 0.00 -1.63 -1.24 119.26 121.48 3i1s h ALA 50 Ca 0.00 -0.04 -0.41 0.00 0.00 0.00 0.00 54.91 54.46 3i1s h ALA 50 Cb 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3i1s h ALA 50 CO 0.00 -1.60 -2.45 0.00 0.00 0.00 0.00 179.25 175.21 3i1s n GLN 51 N -3.94 0.59 0.00 0.00 10.64 -1.26 -3.99 117.38 119.42 3i1s n GLN 51 Ca 0.27 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.63 3i1s n GLN 51 Cb 1.36 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 29.27 3i1s n GLN 51 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3i1s n ARG 52 N -3.66 0.00 0.00 2.61 1.74 -0.47 -4.07 116.66 112.81 3i1s n ARG 52 Ca -0.48 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 3i1s n ARG 52 Cb 0.92 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.36 3i1s n ARG 52 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i1s n SER 53 N 0.00 0.03 -4.69 0.55 2.88 -1.26 -4.80 113.62 106.33 3i1s n SER 53 Ca 0.00 -1.43 -0.26 0.00 -1.33 0.00 0.00 58.87 55.85 3i1s n SER 53 Cb 0.00 -0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 63.37 3i1s n SER 53 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3i1s s GLY 54 N -1.25 1.72 -0.59 0.46 0.00 -1.22 -4.96 107.32 101.48 3i1s s GLY 54 Ca 0.00 -1.36 0.06 0.00 0.00 0.00 0.00 44.72 43.42 3i1s s GLY 54 CO 0.00 -1.38 0.68 0.28 0.00 0.00 0.00 173.10 172.68 3i1s n LYS 55 N -0.22 2.06 -0.15 2.90 4.01 -1.26 -4.56 118.16 120.94 3i1s n LYS 55 Ca -0.09 -4.33 0.01 0.00 -0.51 0.00 0.00 58.31 53.39 3i1s n LYS 55 Cb 0.55 -2.02 -0.01 0.00 -0.51 0.00 0.00 35.03 33.04 3i1s n LYS 55 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3i1s n SER 56 N 1.07 -0.80 -1.39 4.39 2.88 -1.26 -4.65 113.62 113.86 3i1s n SER 56 Ca 0.27 0.16 -0.05 0.00 -1.33 0.00 0.00 58.87 57.93 3i1s n SER 56 Cb 0.43 -0.12 0.13 0.00 -0.75 0.00 0.00 64.21 63.91 3i1s n SER 56 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i1s n GLU 57 N -1.97 2.16 0.00 -1.46 4.71 -1.26 -3.96 120.64 118.86 3i1s n GLU 57 Ca -0.01 -1.45 0.00 0.00 -0.01 0.00 0.00 57.16 55.70 3i1s n GLU 57 Cb 0.06 -1.69 0.01 0.00 -1.01 0.00 0.00 31.44 28.81 3i1s n GLU 57 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 3i1s n LEU 58 N -0.01 0.00 0.00 -4.62 -0.00 -1.26 -3.57 117.00 107.53 3i1s n LEU 58 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 3i1s n LEU 58 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.31 3i1s n LEU 58 CO 0.23 0.00 0.00 -1.84 -0.00 0.00 0.00 177.39 175.78 3i1s n GLU 59 N -0.56 0.00 0.00 1.47 0.28 -1.26 -5.03 120.64 115.55 3i1s n GLU 59 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3i1s n GLU 59 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3i1s n GLU 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i1s n ALA 60 N -2.05 0.00 -0.07 -1.84 0.00 -1.23 -4.13 120.51 111.18 3i1s n ALA 60 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3i1s n ALA 60 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3i1s n ALA 60 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i1s n PHE 61 N 0.00 0.00 0.00 0.00 0.99 -1.26 -4.80 117.46 112.39 3i1s n PHE 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i1s n PHE 61 Cb 0.00 -0.50 0.00 0.00 -1.00 0.00 0.00 39.48 37.98 3i1s n PHE 61 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3i1s n GLU 62 N -4.16 0.00 -0.30 -1.08 4.71 -1.26 0.86 120.64 119.41 3i1s n GLU 62 Ca -0.20 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 56.94 3i1s n GLU 62 Cb 0.52 0.00 0.06 0.00 -1.01 0.00 0.00 31.44 31.01 3i1s n GLU 62 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3i1s h VAL 63 N 0.00 0.11 -0.32 2.62 2.07 -1.92 1.62 116.25 120.44 3i1s h VAL 63 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3i1s h VAL 63 Cb 0.00 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 3i1s h VAL 63 CO 0.00 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.60 3i1s h ALA 64 N 1.48 1.43 -0.04 1.67 0.00 0.26 0.15 119.26 124.22 3i1s h ALA 64 Ca 0.34 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 3i1s h ALA 64 Cb 0.60 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3i1s h ALA 64 CO -0.86 0.40 -0.77 1.25 0.00 0.00 0.00 179.25 179.27 3i1s h LEU 65 N 0.47 0.74 -0.13 0.00 6.46 0.30 1.11 115.31 124.25 3i1s h LEU 65 Ca 0.10 -0.72 0.00 0.00 -0.12 0.00 0.00 57.88 57.15 3i1s h LEU 65 Cb 0.29 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 3i1s h LEU 65 CO 0.01 1.36 0.00 -0.62 -0.62 0.00 0.00 178.44 178.56 3i1s n GLU 66 N -4.05 0.21 -0.11 1.25 4.71 0.49 -2.67 120.64 120.47 3i1s n GLU 66 Ca -0.10 0.23 -0.23 0.00 -0.01 0.00 0.00 57.16 57.05 3i1s n GLU 66 Cb 0.75 -1.77 -0.08 0.00 -1.01 0.00 0.00 31.44 29.33 3i1s n GLU 66 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3i1s n ASN 67 N -2.15 1.79 -0.93 1.62 5.03 0.51 -4.36 115.26 116.77 3i1s n ASN 67 Ca 0.05 0.31 0.00 0.00 0.87 0.00 0.00 54.58 55.81 3i1s n ASN 67 Cb 0.38 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 3i1s n ASN 67 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3i1s n VAL 68 N -4.18 0.71 -1.64 2.41 0.31 0.38 -4.89 118.33 111.43 3i1s n VAL 68 Ca -0.41 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.49 3i1s n VAL 68 Cb 0.76 -0.84 -0.03 0.00 -0.91 0.00 0.00 33.84 32.82 3i1s n VAL 68 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3i1s s ARG 69 N 0.02 3.08 -0.89 5.55 6.06 -1.09 -4.65 118.95 127.03 3i1s s ARG 69 Ca 0.00 1.94 -0.20 0.00 -2.50 0.00 0.00 55.73 54.96 3i1s s ARG 69 Cb 0.00 -4.37 0.10 0.00 0.06 0.00 0.00 34.95 30.74 3i1s s ARG 69 CO 0.00 -2.16 1.16 -2.14 -2.50 0.00 0.00 175.30 169.65 3i1s s PRO 70 N 6.41 3.50 -0.15 5.12 0.02 -1.26 -4.75 135.00 143.89 3i1s s PRO 70 Ca 0.99 -1.45 0.12 0.00 0.02 0.00 0.00 61.00 60.68 3i1s s PRO 70 Cb -0.31 -4.85 -0.18 0.00 0.02 0.00 0.00 34.50 29.18 3i1s s PRO 70 CO 0.34 -1.86 0.03 -2.37 -0.33 0.00 0.00 177.00 172.81 3i1s n THR 71 N 5.84 1.04 -3.82 0.99 5.66 -1.26 -4.07 114.28 118.66 3i1s n THR 71 Ca 0.20 -0.62 -0.29 0.00 -3.05 0.00 0.00 64.05 60.29 3i1s n THR 71 Cb 0.49 -0.65 -0.16 0.00 -1.55 0.00 0.00 70.33 68.46 3i1s n THR 71 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3i1s s VAL 72 N -2.37 1.02 -0.03 1.08 1.01 -1.26 -3.15 120.40 116.70 3i1s s VAL 72 Ca -0.09 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 3i1s s VAL 72 Cb 0.05 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 3i1s s VAL 72 CO 0.60 -0.30 0.28 -0.70 0.00 0.00 0.00 175.10 174.98 3i1s s GLU 73 N 1.60 3.65 1.09 2.72 2.12 0.53 -4.55 118.70 125.86 3i1s s GLU 73 Ca 0.00 0.07 -0.16 0.00 0.36 0.00 0.00 54.97 55.25 3i1s s GLU 73 Cb -0.18 -3.15 0.24 0.00 0.26 0.00 0.00 34.13 31.29 3i1s s GLU 73 CO -0.11 0.70 1.10 0.14 -0.54 0.00 0.00 175.26 176.55 3i1s s VAL 74 N -1.15 1.82 -0.13 3.70 -7.23 -1.26 -0.19 120.40 115.96 3i1s s VAL 74 Ca 0.23 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.09 3i1s s VAL 74 Cb -0.14 -2.50 0.11 0.00 0.56 0.00 0.00 36.38 34.41 3i1s s VAL 74 CO 0.11 0.00 0.91 -0.75 -0.31 0.00 0.00 175.10 175.06 3i1s s LYS 75 N -5.19 0.72 -0.31 4.82 2.47 -1.14 -4.57 119.74 116.55 3i1s s LYS 75 Ca 0.68 0.19 0.01 0.00 -1.56 0.00 0.00 55.97 55.28 3i1s s LYS 75 Cb -0.14 0.34 0.10 0.00 -1.46 0.00 0.00 37.83 36.66 3i1s s LYS 75 CO 0.57 -0.22 0.08 -1.54 0.16 0.00 0.00 175.35 174.39 3i1s s SER 76 N -1.10 4.23 -0.24 1.43 1.04 -1.26 -2.89 113.70 114.90 3i1s s SER 76 Ca -0.04 -1.76 -0.03 0.00 0.48 0.00 0.00 55.95 54.59 3i1s s SER 76 Cb -0.00 -1.10 0.08 0.00 0.10 0.00 0.00 66.02 65.09 3i1s s SER 76 CO 0.04 -0.39 0.09 -0.13 0.98 0.00 0.00 173.24 173.82 3i1s s ARG 77 N 1.40 0.36 0.50 4.02 1.81 -1.00 -4.97 118.95 121.07 3i1s s ARG 77 Ca 0.09 -0.49 -0.09 0.00 -1.72 0.00 0.00 55.73 53.53 3i1s s ARG 77 Cb -0.18 -1.70 -0.05 0.00 -0.45 0.00 0.00 34.95 32.58 3i1s s ARG 77 CO -0.19 -0.84 0.86 0.50 -0.68 0.00 0.00 175.30 174.95 3i1s s ARG 78 N 1.97 3.64 -0.29 3.54 3.00 -1.25 -4.54 118.95 125.01 3i1s s ARG 78 Ca 0.05 0.45 -0.02 0.00 -1.00 0.00 0.00 55.73 55.22 3i1s s ARG 78 Cb -0.16 -2.29 0.12 0.00 0.00 0.00 0.00 34.95 32.62 3i1s s ARG 78 CO -0.21 -0.27 0.24 0.14 0.00 0.00 0.00 175.30 175.20 3i1s s VAL 79 N -2.77 -0.28 -0.11 7.11 -7.23 -1.26 -4.92 120.40 110.94 3i1s s VAL 79 Ca 0.51 -0.59 -0.02 0.00 -1.81 0.00 0.00 61.98 60.06 3i1s s VAL 79 Cb -0.10 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.85 3i1s s VAL 79 CO 0.43 -0.57 0.13 0.61 -0.31 0.00 0.00 175.10 175.40 3i1s n GLY 80 N 5.28 -0.70 3.74 2.32 0.00 -1.26 -4.48 105.19 110.09 3i1s n GLY 80 Ca -0.03 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3i1s n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1s n GLY 81 N -0.72 -1.08 3.29 -0.02 0.00 -1.26 -4.99 105.19 100.42 3i1s n GLY 81 Ca 0.02 0.47 -0.15 0.00 0.00 0.00 0.00 46.02 46.35 3i1s n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1s s SER 82 N -3.29 1.64 -0.12 1.61 0.01 -1.26 -5.03 113.70 107.25 3i1s s SER 82 Ca 0.30 -1.17 0.15 0.00 1.31 0.00 0.00 55.95 56.53 3i1s s SER 82 Cb -0.13 0.04 0.44 0.00 0.21 0.00 0.00 66.02 66.58 3i1s s SER 82 CO 0.89 -0.50 1.35 0.35 0.41 0.00 0.00 173.24 175.74 3i1s n THR 83 N -0.33 1.87 -1.53 1.44 -2.24 -1.26 -4.64 114.28 107.59 3i1s n THR 83 Ca -0.06 -1.62 -0.55 0.00 -2.27 0.00 0.00 64.05 59.55 3i1s n THR 83 Cb 0.63 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 3i1s n THR 83 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3i1s n TYR 84 N -0.24 0.90 -1.97 4.78 0.53 -1.26 -4.89 117.16 115.00 3i1s n TYR 84 Ca 0.18 0.89 -0.24 0.00 -1.02 0.00 0.00 57.90 57.71 3i1s n TYR 84 Cb 0.73 -2.17 0.03 0.00 -1.03 0.00 0.00 39.34 36.90 3i1s n TYR 84 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 3i1s n GLN 85 N 1.81 3.54 -1.65 -0.72 1.13 -1.26 -2.38 117.38 117.85 3i1s n GLN 85 Ca 0.19 -4.11 -0.49 0.00 -1.94 0.00 0.00 57.00 50.65 3i1s n GLN 85 Cb 0.14 -2.27 -0.05 0.00 0.11 0.00 0.00 30.24 28.16 3i1s n GLN 85 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3i1s n VAL 86 N -0.73 0.13 -1.68 5.09 0.31 -1.14 -4.45 118.33 115.86 3i1s n VAL 86 Ca 0.45 -0.02 -0.29 0.00 -0.01 0.00 0.00 64.34 64.46 3i1s n VAL 86 Cb 0.95 -1.34 0.11 0.00 -0.91 0.00 0.00 33.84 32.65 3i1s n VAL 86 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3i1s s PRO 87 N 1.59 1.59 0.01 5.55 0.04 -1.26 -2.86 135.00 139.65 3i1s s PRO 87 Ca 0.85 0.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.15 3i1s s PRO 87 Cb -0.81 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 31.84 3i1s s PRO 87 CO 0.46 -1.89 0.02 1.55 0.04 0.00 0.00 177.00 177.18 3i1s n VAL 88 N -3.55 0.00 -3.59 -0.36 3.14 0.73 -4.81 118.33 109.90 3i1s n VAL 88 Ca 0.07 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 3i1s n VAL 88 Cb 0.60 0.02 0.00 0.00 -1.06 0.00 0.00 33.84 33.39 3i1s n VAL 88 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3i1s n GLU 89 N -0.01 2.82 -1.62 1.45 4.71 -1.26 -0.35 120.64 126.39 3i1s n GLU 89 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3i1s n GLU 89 Cb 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.44 3i1s n GLU 89 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 3i1s n VAL 90 N 0.00 0.00 -4.19 2.62 0.24 -1.19 -4.32 118.33 111.49 3i1s n VAL 90 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 3i1s n VAL 90 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 3i1s n VAL 90 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3i1s s ARG 91 N -1.43 1.01 0.18 7.34 3.52 -1.26 -4.94 118.95 123.38 3i1s s ARG 91 Ca 0.00 -1.49 -0.15 0.00 -0.13 0.00 0.00 55.73 53.96 3i1s s ARG 91 Cb 0.00 0.04 0.17 0.00 -1.56 0.00 0.00 34.95 33.60 3i1s s ARG 91 CO 0.00 -0.22 1.24 -2.30 -0.81 0.00 0.00 175.30 173.21 3i1s n PRO 92 N -0.16 -0.20 -0.34 5.12 -0.02 -1.26 0.66 135.00 138.80 3i1s n PRO 92 Ca -0.05 1.23 -0.09 0.00 -2.02 0.00 0.00 63.50 62.56 3i1s n PRO 92 Cb 0.64 -1.82 -0.08 0.00 -0.02 0.00 0.00 33.50 32.22 3i1s n PRO 92 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i1s n VAL 93 N -5.16 -0.54 0.03 -1.45 0.31 -1.26 -0.48 118.33 109.79 3i1s n VAL 93 Ca 0.08 2.01 -0.19 0.00 -0.01 0.00 0.00 64.34 66.22 3i1s n VAL 93 Cb 0.31 -2.49 -0.13 0.00 -0.91 0.00 0.00 33.84 30.62 3i1s n VAL 93 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3i1s h ARG 94 N 0.00 0.36 -0.46 5.55 3.08 -1.39 0.52 114.38 122.05 3i1s h ARG 94 Ca 0.13 -0.50 0.13 0.00 0.07 0.00 0.00 59.98 59.81 3i1s h ARG 94 Cb 0.33 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3i1s h ARG 94 CO -0.75 1.19 0.93 0.00 -1.07 0.00 0.00 179.97 180.27 3i1s h ARG 95 N -0.23 0.00 0.00 0.04 2.47 0.12 0.29 114.38 117.08 3i1s h ARG 95 Ca -0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3i1s h ARG 95 Cb 1.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.85 3i1s h ARG 95 CO 0.14 0.00 0.00 0.09 0.56 0.00 0.00 179.97 180.76 3i1s n ASN 96 N -2.99 0.00 0.27 7.04 3.02 0.37 -4.24 115.26 118.73 3i1s n ASN 96 Ca 0.10 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.79 3i1s n ASN 96 Cb 1.08 -0.11 0.68 0.00 -0.61 0.00 0.00 39.78 40.82 3i1s n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1s h ALA 97 N -0.66 1.62 -2.53 5.41 0.00 -0.82 -2.66 119.26 119.61 3i1s h ALA 97 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1s h ALA 97 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3i1s h ALA 97 CO 0.00 -0.53 0.00 1.28 0.00 0.00 0.00 179.25 180.00 3i1s n LEU 98 N -2.99 0.00 0.00 0.00 4.77 0.08 -4.18 117.00 114.69 3i1s n LEU 98 Ca 0.01 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3i1s n LEU 98 Cb 0.55 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3i1s n LEU 98 CO 0.14 -0.08 0.02 0.00 -1.33 0.00 0.00 177.39 176.14 3i1s n ALA 99 N -0.96 0.00 -0.46 -1.18 0.00 -1.00 -0.54 120.51 116.37 3i1s n ALA 99 Ca 0.00 0.00 0.38 0.00 0.00 0.00 0.00 53.44 53.82 3i1s n ALA 99 Cb 0.00 0.02 0.68 0.00 0.00 0.00 0.00 19.45 20.15 3i1s n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s h MET 100 N 0.00 0.10 -0.60 0.00 -0.00 -1.79 0.19 114.93 112.82 3i1s h MET 100 Ca 0.00 -0.01 0.18 0.00 -0.00 0.00 0.00 59.70 59.87 3i1s h MET 100 Cb 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 31.55 3i1s h MET 100 CO 0.00 0.06 0.69 -0.09 -0.00 0.00 0.00 176.91 177.57 3i1s h ARG 101 N 0.10 0.00 0.00 -0.10 9.65 -0.99 0.55 114.38 123.58 3i1s h ARG 101 Ca 0.76 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.64 3i1s h ARG 101 Cb 2.60 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 31.18 3i1s h ARG 101 CO -0.24 0.00 -1.23 0.91 2.80 0.00 0.00 179.97 182.21 3i1s n TRP 102 N -3.54 0.00 0.25 2.20 8.01 0.66 -4.50 117.44 120.52 3i1s n TRP 102 Ca 0.12 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.39 3i1s n TRP 102 Cb 0.91 -0.14 0.62 0.00 -2.01 0.00 0.00 31.31 30.69 3i1s n TRP 102 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.69 177.50 3i1s h ILE 103 N 0.00 0.96 0.00 -0.99 2.04 -0.73 0.26 117.51 119.05 3i1s h ILE 103 Ca 0.00 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3i1s h ILE 103 Cb 0.28 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3i1s h ILE 103 CO 0.00 0.09 -0.14 -0.37 0.00 0.00 0.00 178.15 177.73 3i1s h VAL 104 N 0.00 0.35 0.00 1.67 -1.51 -1.75 -2.19 116.25 112.82 3i1s h VAL 104 Ca -0.00 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 3i1s h VAL 104 Cb 0.18 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3i1s h VAL 104 CO 0.01 0.14 0.00 1.21 -1.23 0.00 0.00 177.57 177.70 3i1s n GLU 105 N -3.27 0.08 0.00 5.19 4.07 0.90 -0.11 120.64 127.50 3i1s n GLU 105 Ca 0.01 0.53 0.01 0.00 -0.06 0.00 0.00 57.16 57.65 3i1s n GLU 105 Cb 0.41 -1.74 0.01 0.00 -0.06 0.00 0.00 31.44 30.06 3i1s n GLU 105 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i1s n ALA 106 N -1.65 2.46 -1.00 4.31 0.00 -0.85 -4.53 120.51 119.26 3i1s n ALA 106 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3i1s n ALA 106 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3i1s n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s n ALA 107 N -0.05 0.00 0.26 0.00 0.00 0.84 -4.28 120.51 117.28 3i1s n ALA 107 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.60 3i1s n ALA 107 Cb 0.05 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.30 3i1s n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s h ARG 108 N 0.00 0.00 -2.72 0.00 3.08 -1.88 -3.04 114.38 109.82 3i1s h ARG 108 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3i1s h ARG 108 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i1s h ARG 108 CO 0.00 0.00 2.60 1.63 -1.07 0.00 0.00 179.97 183.13 3i1s n LYS 109 N -2.64 3.16 -1.65 0.04 5.02 -1.26 -4.78 118.16 116.05 3i1s n LYS 109 Ca -0.02 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.44 3i1s n LYS 109 Cb 0.20 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.66 3i1s n LYS 109 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i1s n ARG 110 N 3.28 0.00 -0.01 1.97 3.00 -1.15 -4.68 116.66 119.08 3i1s n ARG 110 Ca 0.67 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 58.61 3i1s n ARG 110 Cb 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.76 3i1s n ARG 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1s n GLY 111 N 0.00 -0.76 3.41 5.14 0.00 -1.26 -5.02 105.19 106.70 3i1s n GLY 111 Ca 0.00 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 3i1s n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1s n ASP 112 N -2.05 -1.35 0.00 1.61 10.43 -1.26 -4.93 116.55 119.00 3i1s n ASP 112 Ca -0.03 0.97 0.00 0.00 2.57 0.00 0.00 54.79 58.30 3i1s n ASP 112 Cb 0.43 -1.02 0.00 0.00 1.84 0.00 0.00 41.12 42.37 3i1s n ASP 112 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i1s n LYS 113 N 0.93 0.00 -3.53 -1.24 5.02 -1.26 -4.74 118.16 113.34 3i1s n LYS 113 Ca 0.13 0.28 -0.22 0.00 -2.02 0.00 0.00 58.31 56.48 3i1s n LYS 113 Cb 0.35 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3i1s n LYS 113 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3i1s s SER 114 N -2.06 4.94 0.34 4.39 0.01 -1.26 -4.93 113.70 115.12 3i1s s SER 114 Ca 0.00 -0.94 0.08 0.00 1.31 0.00 0.00 55.95 56.40 3i1s s SER 114 Cb 0.00 -0.00 0.61 0.00 0.21 0.00 0.00 66.02 66.84 3i1s s SER 114 CO 0.00 -0.99 1.80 0.24 0.41 0.00 0.00 173.24 174.70 3i1s h MET 115 N 0.70 0.21 0.00 12.44 2.86 -1.97 0.33 114.93 129.50 3i1s h MET 115 Ca -0.37 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 3i1s h MET 115 Cb 1.29 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.93 3i1s h MET 115 CO 0.53 0.50 0.00 0.00 1.06 0.00 0.00 176.91 178.99 3i1s n ALA 116 N -2.48 1.74 0.00 6.32 0.00 -1.26 -1.70 120.51 123.13 3i1s n ALA 116 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i1s n ALA 116 Cb 0.39 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3i1s n ALA 116 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1s n LEU 117 N -0.68 0.20 0.18 0.00 4.32 -0.28 -3.70 117.00 117.05 3i1s n LEU 117 Ca 0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.88 3i1s n LEU 117 Cb 0.01 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.73 3i1s n LEU 117 CO 0.01 0.03 0.47 0.03 -1.22 0.00 0.00 177.39 176.72 3i1s h ARG 118 N 0.00 -0.48 0.00 3.23 3.08 0.06 -3.07 114.38 117.20 3i1s h ARG 118 Ca 0.00 0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 3i1s h ARG 118 Cb 0.27 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3i1s h ARG 118 CO 0.00 -0.16 -0.55 1.25 -1.07 0.00 0.00 179.97 179.44 3i1s h LEU 119 N -0.89 0.00 0.00 3.04 6.46 -1.53 -3.36 115.31 119.02 3i1s h LEU 119 Ca -0.05 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 3i1s h LEU 119 Cb 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 3i1s h LEU 119 CO 0.08 0.97 0.00 0.00 -0.62 0.00 0.00 178.44 178.87 3i1s n ALA 120 N -3.23 -0.23 0.06 1.25 0.00 -1.08 0.18 120.51 117.46 3i1s n ALA 120 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3i1s n ALA 120 Cb 0.37 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3i1s n ALA 120 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1s n ASN 121 N -1.71 2.42 0.00 0.00 3.02 -1.16 -0.70 115.26 117.14 3i1s n ASN 121 Ca 0.00 -1.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 3i1s n ASN 121 Cb 0.00 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 3i1s n ASN 121 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3i1s n GLU 122 N 1.32 2.58 0.29 3.52 0.00 -0.82 -4.84 120.64 122.68 3i1s n GLU 122 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 57.16 57.35 3i1s n GLU 122 Cb 0.28 -0.21 1.01 0.00 0.00 0.00 0.00 31.44 32.51 3i1s n GLU 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3i1s h LEU 123 N 0.00 0.00 -1.26 4.31 7.12 0.42 -0.93 115.31 124.97 3i1s h LEU 123 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3i1s h LEU 123 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 3i1s h LEU 123 CO 0.00 0.00 0.23 0.77 -0.13 0.00 0.00 178.44 179.31 3i1s h SER 124 N 0.00 0.00 0.07 1.25 4.64 -1.83 0.32 113.55 117.99 3i1s h SER 124 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i1s h SER 124 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3i1s h SER 124 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3i1s n ASP 125 N -2.27 0.00 -0.09 4.97 8.00 -0.36 -1.55 116.55 125.26 3i1s n ASP 125 Ca -0.01 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.70 3i1s n ASP 125 Cb 0.25 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 40.96 3i1s n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i1s h ALA 126 N 2.12 0.35 0.00 2.24 0.00 -0.62 -2.29 119.26 121.06 3i1s h ALA 126 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i1s h ALA 126 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3i1s h ALA 126 CO 0.00 0.08 -0.46 0.00 0.00 0.00 0.00 179.25 178.88 3i1s n ALA 127 N -2.35 0.40 0.05 0.00 0.00 -0.59 -4.37 120.51 113.65 3i1s n ALA 127 Ca -0.03 -0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.09 3i1s n ALA 127 Cb 0.25 0.01 0.54 0.00 0.00 0.00 0.00 19.45 20.25 3i1s n ALA 127 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3i1s h GLU 128 N -0.79 0.28 0.00 0.00 4.11 -1.58 -3.45 114.58 113.15 3i1s h GLU 128 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3i1s h GLU 128 Cb 0.46 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3i1s h GLU 128 CO 0.00 0.19 0.00 0.09 0.07 0.00 0.00 179.01 179.36 3i1s n ASN 129 N -4.48 0.00 -4.24 3.06 3.02 -0.86 -4.89 115.26 106.88 3i1s n ASN 129 Ca 0.04 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.27 3i1s n ASN 129 Cb 0.23 -1.26 -0.07 0.00 -0.61 0.00 0.00 39.78 38.07 3i1s n ASN 129 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i1s n LYS 130 N -2.00 1.25 0.00 3.52 4.76 -1.26 -4.77 118.16 119.66 3i1s n LYS 130 Ca 0.00 -2.09 0.00 0.00 -2.87 0.00 0.00 58.31 53.35 3i1s n LYS 130 Cb 0.00 -3.44 0.00 0.00 -1.84 0.00 0.00 35.03 29.75 3i1s n LYS 130 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1s n GLY 131 N 5.43 1.42 3.65 0.72 0.00 -1.26 -4.93 105.19 110.22 3i1s n GLY 131 Ca 0.46 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 3i1s n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1s s THR 132 N -1.19 3.39 0.00 2.61 2.01 -1.26 -3.82 115.64 117.38 3i1s s THR 132 Ca 0.00 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.46 3i1s s THR 132 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.16 3i1s s THR 132 CO 0.00 -0.10 0.00 0.00 -0.69 0.00 0.00 174.62 173.83 3i1s n ALA 133 N 8.10 0.00 0.00 7.40 0.00 -1.26 -4.66 120.51 130.09 3i1s n ALA 133 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3i1s n ALA 133 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3i1s n ALA 133 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1s n VAL 134 N 0.00 0.00 -0.19 0.00 0.24 -1.25 -4.88 118.33 112.25 3i1s n VAL 134 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 3i1s n VAL 134 Cb 0.00 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.41 3i1s n VAL 134 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3i1s h LYS 135 N 0.00 -0.05 0.39 7.34 3.64 -1.91 0.44 116.57 126.42 3i1s h LYS 135 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3i1s h LYS 135 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3i1s h LYS 135 CO 0.00 -0.03 -0.21 -0.22 -2.27 0.00 0.00 179.45 176.72 3i1s h LYS 136 N -0.05 -0.53 -0.24 1.90 1.63 -1.96 1.31 116.57 118.63 3i1s h LYS 136 Ca 0.27 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 60.18 3i1s h LYS 136 Cb 0.47 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 3i1s h LYS 136 CO -0.62 -0.35 0.17 -0.09 -3.45 0.00 0.00 179.45 175.11 3i1s h ARG 137 N -0.55 0.00 0.00 1.90 1.12 -1.39 0.67 114.38 116.13 3i1s h ARG 137 Ca -0.05 0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.62 3i1s h ARG 137 Cb 0.44 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.36 3i1s h ARG 137 CO 0.07 0.00 -1.30 0.93 -3.11 0.00 0.00 179.97 176.55 3i1s h GLU 138 N 0.00 0.00 0.00 0.20 4.39 0.07 -3.31 114.58 115.93 3i1s h GLU 138 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3i1s h GLU 138 Cb 0.46 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3i1s h GLU 138 CO -0.00 0.49 -0.04 0.22 -1.16 0.00 0.00 179.01 178.52 3i1s h ASP 139 N 0.00 0.00 0.12 1.42 1.82 0.76 -2.66 116.42 117.87 3i1s h ASP 139 Ca -0.15 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.30 3i1s h ASP 139 Cb 1.71 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.74 3i1s h ASP 139 CO 0.07 0.04 -0.85 0.58 -1.61 0.00 0.00 179.24 177.47 3i1s h VAL 140 N 0.00 1.44 0.00 2.25 2.07 -1.09 -3.10 116.25 117.83 3i1s h VAL 140 Ca -0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 3i1s h VAL 140 Cb 0.22 3.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3i1s h VAL 140 CO 0.00 0.70 0.15 1.41 0.02 0.00 0.00 177.57 179.85 3i1s n HIS 141 N -4.14 0.00 0.00 1.57 8.25 -1.01 -2.31 115.22 117.58 3i1s n HIS 141 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3i1s n HIS 141 Cb 0.80 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.72 3i1s n HIS 141 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i1s n ARG 142 N -1.12 0.00 0.00 -0.41 5.12 -1.17 -3.58 116.66 115.50 3i1s n ARG 142 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i1s n ARG 142 Cb 0.15 -0.41 0.00 0.00 -1.16 0.00 0.00 32.46 31.04 3i1s n ARG 142 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3i1s n MET 143 N -0.63 0.00 0.00 5.56 2.81 -1.07 -0.77 117.12 123.02 3i1s n MET 143 Ca 0.00 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 3i1s n MET 143 Cb 0.00 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 3i1s n MET 143 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i1s n ALA 144 N -1.00 0.00 0.20 3.04 0.00 -0.98 -3.92 120.51 117.85 3i1s n ALA 144 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3i1s n ALA 144 Cb 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 3i1s n ALA 144 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i1s h GLU 145 N 0.00 -0.45 0.00 0.00 4.57 -1.60 -1.24 114.58 115.86 3i1s h GLU 145 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3i1s h GLU 145 Cb 0.00 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3i1s h GLU 145 CO 0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 179.01 177.58 3i1s n ALA 146 N -2.34 1.63 -3.18 2.92 0.00 0.05 -3.73 120.51 115.86 3i1s n ALA 146 Ca -0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 3i1s n ALA 146 Cb 0.23 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 3i1s n ALA 146 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i1s s ASN 147 N -2.02 -1.17 -0.11 0.00 2.47 -0.49 -4.85 114.94 108.77 3i1s s ASN 147 Ca 0.06 -1.02 0.20 0.00 0.42 0.00 0.00 52.86 52.52 3i1s s ASN 147 Cb 0.03 1.76 0.44 0.00 -1.45 0.00 0.00 41.25 42.02 3i1s s ASN 147 CO 0.04 -0.17 1.18 2.29 -3.72 0.00 0.00 177.10 176.73 3i1s n LYS 148 N 4.21 0.86 -2.40 0.43 -0.00 -1.04 -3.99 118.16 116.23 3i1s n LYS 148 Ca 0.12 -2.67 -0.43 0.00 -0.00 0.00 0.00 58.31 55.33 3i1s n LYS 148 Cb 0.55 -0.78 0.00 0.00 -0.00 0.00 0.00 35.03 34.81 3i1s n LYS 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1s n ALA 149 N -0.17 4.73 0.00 0.58 0.00 -1.26 -3.94 120.51 120.45 3i1s n ALA 149 Ca 0.12 -4.12 0.00 0.00 0.00 0.00 0.00 53.44 49.44 3i1s n ALA 149 Cb 0.97 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 17.19 3i1s n ALA 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i1s n PHE 150 N 5.57 0.00 -0.12 0.00 3.01 -1.26 -5.00 117.46 119.66 3i1s n PHE 150 Ca 0.43 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.89 3i1s n PHE 150 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 3i1s n PHE 150 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77