#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s n GLN 4 N 0.00 0.61 -3.98 1.20 10.64 -1.26 -5.01 117.38 119.58 3i1s n GLN 4 Ca 0.00 0.24 -0.23 0.00 -1.83 0.00 0.00 57.00 55.18 3i1s n GLN 4 Cb 0.00 -1.81 -0.03 0.00 -0.86 0.00 0.00 30.24 27.54 3i1s n GLN 4 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3i1s s TYR 5 N -1.66 3.41 0.14 2.61 4.12 -0.12 -4.88 117.35 120.96 3i1s s TYR 5 Ca 0.70 0.01 0.05 0.00 0.02 0.00 0.00 57.07 57.86 3i1s s TYR 5 Cb -0.44 -1.58 -0.04 0.00 -1.52 0.00 0.00 41.96 38.38 3i1s s TYR 5 CO 0.52 0.47 -0.12 -0.47 0.02 0.00 0.00 175.55 175.98 3i1s s TYR 6 N -1.92 1.34 -0.29 2.71 6.04 -1.25 -0.38 117.35 123.59 3i1s s TYR 6 Ca 0.34 -0.65 -0.10 0.00 0.04 0.00 0.00 57.07 56.70 3i1s s TYR 6 Cb -0.09 -0.68 0.12 0.00 -1.04 0.00 0.00 41.96 40.27 3i1s s TYR 6 CO 0.28 0.13 0.63 0.20 -1.54 0.00 0.00 175.55 175.25 3i1s s GLY 7 N -2.82 -0.69 -0.09 8.97 0.00 -0.11 -4.16 107.32 108.42 3i1s s GLY 7 Ca 0.13 2.27 -0.30 0.00 0.00 0.00 0.00 44.72 46.82 3i1s s GLY 7 CO 0.02 2.97 1.09 -1.59 0.00 0.00 0.00 173.10 175.59 3i1s s THR 8 N 2.80 4.56 -0.26 0.90 2.01 -1.26 -2.14 115.64 122.26 3i1s s THR 8 Ca -0.06 1.85 -0.03 0.00 0.31 0.00 0.00 61.69 63.77 3i1s s THR 8 Cb -0.12 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.22 3i1s s THR 8 CO -0.18 -0.00 -0.02 -0.83 -0.69 0.00 0.00 174.62 172.89 3i1s s GLY 9 N 1.26 1.67 -0.08 4.40 0.00 -0.27 -4.33 107.32 109.97 3i1s s GLY 9 Ca 0.51 -1.45 -0.00 0.00 0.00 0.00 0.00 44.72 43.78 3i1s s GLY 9 CO 0.19 0.55 -0.05 -1.60 0.00 0.00 0.00 173.10 172.20 3i1s s ARG 10 N 1.37 1.09 -0.19 2.90 3.52 -1.24 -0.14 118.95 126.27 3i1s s ARG 10 Ca 0.01 -0.11 -0.05 0.00 -0.13 0.00 0.00 55.73 55.45 3i1s s ARG 10 Cb -0.17 -1.23 0.09 0.00 -1.56 0.00 0.00 34.95 32.09 3i1s s ARG 10 CO -0.03 -0.23 0.36 0.50 -0.81 0.00 0.00 175.30 175.09 3i1s s ARG 11 N 1.61 0.28 -1.23 5.12 6.06 -1.13 -4.64 118.95 125.03 3i1s s ARG 11 Ca 0.01 0.80 -0.08 0.00 -2.50 0.00 0.00 55.73 53.97 3i1s s ARG 11 Cb -0.13 -0.03 -0.01 0.00 0.06 0.00 0.00 34.95 34.84 3i1s s ARG 11 CO -0.05 -0.38 0.72 1.17 -2.50 0.00 0.00 175.30 174.27 3i1s n LYS 12 N 5.37 -3.18 -3.23 5.12 4.81 -1.26 -3.08 118.16 122.72 3i1s n LYS 12 Ca -0.07 0.57 -0.06 0.00 -0.87 0.00 0.00 58.31 57.89 3i1s n LYS 12 Cb 0.50 -4.84 0.00 0.00 0.02 0.00 0.00 35.03 30.71 3i1s n LYS 12 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i1s n SER 13 N -2.95 -7.14 -3.70 3.14 2.88 -1.26 -4.74 113.62 99.86 3i1s n SER 13 Ca -0.21 -0.28 -0.11 0.00 -1.33 0.00 0.00 58.87 56.94 3i1s n SER 13 Cb 0.64 -4.51 -0.10 0.00 -0.75 0.00 0.00 64.21 59.49 3i1s n SER 13 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3i1s s SER 14 N -3.01 -0.52 0.23 -3.46 0.01 -1.18 -2.91 113.70 102.87 3i1s s SER 14 Ca 0.01 0.92 -0.04 0.00 1.31 0.00 0.00 55.95 58.15 3i1s s SER 14 Cb -0.00 0.85 -0.05 0.00 0.21 0.00 0.00 66.02 67.02 3i1s s SER 14 CO 0.78 -0.18 0.47 0.00 0.41 0.00 0.00 173.24 174.72 3i1s s ALA 15 N 1.01 3.71 -0.47 1.44 0.00 -1.02 -2.83 121.76 123.60 3i1s s ALA 15 Ca -0.06 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.35 3i1s s ALA 15 Cb -0.06 -2.19 0.18 0.00 0.00 0.00 0.00 23.12 21.05 3i1s s ALA 15 CO -0.09 0.41 0.62 0.00 0.00 0.00 0.00 175.76 176.70 3i1s s ALA 16 N -1.91 -1.58 -0.23 0.00 0.00 0.80 -2.23 121.76 116.61 3i1s s ALA 16 Ca 0.42 -0.58 -0.28 0.00 0.00 0.00 0.00 51.96 51.52 3i1s s ALA 16 Cb -0.11 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 3i1s s ALA 16 CO 0.28 -2.19 2.00 1.03 0.00 0.00 0.00 175.76 176.88 3i1s s ARG 17 N 1.05 3.34 -0.31 0.00 0.52 -0.38 -1.11 118.95 122.07 3i1s s ARG 17 Ca 0.26 1.84 -0.02 0.00 -0.52 0.00 0.00 55.73 57.29 3i1s s ARG 17 Cb -0.02 -4.27 0.05 0.00 0.52 0.00 0.00 34.95 31.24 3i1s s ARG 17 CO -0.07 -1.85 0.02 0.08 0.02 0.00 0.00 175.30 173.49 3i1s s VAL 18 N 7.23 3.06 -0.15 3.52 1.01 -0.91 0.89 120.40 135.04 3i1s s VAL 18 Ca 0.90 -1.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 3i1s s VAL 18 Cb -0.29 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3i1s s VAL 18 CO 0.35 -0.14 0.01 -0.36 0.00 0.00 0.00 175.10 174.96 3i1s s PHE 19 N 1.26 3.15 -0.01 5.22 0.08 0.15 -0.93 117.98 126.89 3i1s s PHE 19 Ca -0.04 -0.06 0.04 0.00 0.12 0.00 0.00 56.93 56.99 3i1s s PHE 19 Cb -0.20 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 3i1s s PHE 19 CO -0.01 0.13 -0.12 -1.50 -0.10 0.00 0.00 175.22 173.62 3i1s s ILE 20 N 0.15 0.99 -0.02 0.64 1.10 0.49 -2.50 121.20 122.05 3i1s s ILE 20 Ca 0.02 -0.53 -0.15 0.00 -0.51 0.00 0.00 60.65 59.48 3i1s s ILE 20 Cb -0.13 -0.83 0.02 0.00 0.15 0.00 0.00 42.46 41.67 3i1s s ILE 20 CO 0.02 0.28 0.31 -0.54 -2.11 0.00 0.00 174.94 172.90 3i1s s LYS 21 N -0.25 0.65 -0.88 3.50 1.02 -1.26 -0.95 119.74 121.56 3i1s s LYS 21 Ca 0.04 -0.16 -0.25 0.00 0.02 0.00 0.00 55.97 55.62 3i1s s LYS 21 Cb -0.05 0.29 -0.19 0.00 -0.52 0.00 0.00 37.83 37.36 3i1s s LYS 21 CO -0.00 -0.17 1.92 -0.35 -0.92 0.00 0.00 175.35 175.82 3i1s n PRO 22 N 1.37 0.95 -2.57 -1.68 -0.04 -1.26 0.85 135.00 132.62 3i1s n PRO 22 Ca -0.21 -1.91 -0.05 0.00 -0.04 0.00 0.00 63.50 61.28 3i1s n PRO 22 Cb 0.56 -3.41 -0.02 0.00 -0.04 0.00 0.00 33.50 30.59 3i1s n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1s n GLY 23 N 5.47 3.76 3.49 0.55 0.00 -1.26 -4.73 105.19 112.47 3i1s n GLY 23 Ca 0.45 -1.75 -0.52 0.00 0.00 0.00 0.00 46.02 44.20 3i1s n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i1s n ASN 24 N -2.58 2.19 -4.58 1.61 6.94 -1.26 0.04 115.26 117.62 3i1s n ASN 24 Ca 0.02 0.57 -0.19 0.00 -0.02 0.00 0.00 54.58 54.95 3i1s n ASN 24 Cb 0.15 -1.23 -0.09 0.00 -2.36 0.00 0.00 39.78 36.25 3i1s n ASN 24 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3i1s s GLY 25 N 6.45 -0.67 -0.09 4.83 0.00 -1.22 -3.75 107.32 112.87 3i1s s GLY 25 Ca 1.07 -1.67 -0.07 0.00 0.00 0.00 0.00 44.72 44.05 3i1s s GLY 25 CO 0.53 4.03 0.23 -1.59 0.00 0.00 0.00 173.10 176.30 3i1s s LYS 26 N 7.79 0.24 -0.01 2.90 -2.85 -1.26 -3.90 119.74 122.64 3i1s s LYS 26 Ca 0.77 0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 55.85 3i1s s LYS 26 Cb -0.04 0.02 -0.05 0.00 -2.06 0.00 0.00 37.83 35.70 3i1s s LYS 26 CO 0.16 -0.09 1.36 0.42 0.10 0.00 0.00 175.35 177.30 3i1s s ILE 27 N 0.62 3.80 -0.53 3.79 -1.09 -1.26 -2.61 121.20 123.92 3i1s s ILE 27 Ca -0.04 1.18 0.07 0.00 -2.23 0.00 0.00 60.65 59.63 3i1s s ILE 27 Cb -0.05 -3.76 0.24 0.00 -1.58 0.00 0.00 42.46 37.31 3i1s s ILE 27 CO -0.04 0.00 0.63 0.52 -1.23 0.00 0.00 174.94 174.83 3i1s n VAL 28 N 4.63 0.94 -2.95 2.92 0.31 0.16 -3.75 118.33 120.59 3i1s n VAL 28 Ca 0.13 -4.65 -0.42 0.00 -0.01 0.00 0.00 64.34 59.39 3i1s n VAL 28 Cb 0.44 -2.03 -0.05 0.00 -0.91 0.00 0.00 33.84 31.29 3i1s n VAL 28 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3i1s s ILE 29 N -1.82 4.75 -1.08 2.52 2.07 0.61 -2.30 121.20 125.95 3i1s s ILE 29 Ca 0.37 0.98 -0.21 0.00 -1.41 0.00 0.00 60.65 60.38 3i1s s ILE 29 Cb 0.15 -4.19 0.01 0.00 0.13 0.00 0.00 42.46 38.56 3i1s s ILE 29 CO -0.06 -0.37 0.72 0.59 -1.91 0.00 0.00 174.94 173.90 3i1s n ASN 30 N 6.34 -5.00 -2.37 4.50 3.02 0.79 0.35 115.26 122.88 3i1s n ASN 30 Ca 0.03 -1.05 -0.06 0.00 -0.03 0.00 0.00 54.58 53.48 3i1s n ASN 30 Cb 0.48 -2.60 -0.00 0.00 -0.61 0.00 0.00 39.78 37.05 3i1s n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1s n GLN 31 N -4.06 -2.52 -4.38 3.52 10.64 -1.26 -4.93 117.38 114.39 3i1s n GLN 31 Ca -0.13 0.29 -0.22 0.00 -1.83 0.00 0.00 57.00 55.11 3i1s n GLN 31 Cb 0.59 -4.80 -0.10 0.00 -0.86 0.00 0.00 30.24 25.07 3i1s n GLN 31 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3i1s s ARG 32 N -4.82 1.43 0.55 2.61 1.81 0.15 -5.12 118.95 115.56 3i1s s ARG 32 Ca 0.00 -1.59 0.06 0.00 -1.72 0.00 0.00 55.73 52.48 3i1s s ARG 32 Cb 0.00 -1.43 0.06 0.00 -0.45 0.00 0.00 34.95 33.14 3i1s s ARG 32 CO 0.00 0.27 0.75 -1.54 -0.68 0.00 0.00 175.30 174.10 3i1s s SER 33 N -3.14 5.18 0.00 0.23 1.04 -1.26 -0.28 113.70 115.46 3i1s s SER 33 Ca 0.23 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3i1s s SER 33 Cb -0.04 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.85 3i1s s SER 33 CO 0.09 -1.22 0.99 -0.11 0.98 0.00 0.00 173.24 173.98 3i1s n LEU 34 N -2.23 0.00 0.00 2.42 7.94 -1.25 -1.91 117.00 121.97 3i1s n LEU 34 Ca 0.12 0.99 0.12 0.00 -1.11 0.00 0.00 56.01 56.13 3i1s n LEU 34 Cb 0.60 -0.49 0.56 0.00 0.53 0.00 0.00 43.42 44.63 3i1s n LEU 34 CO 0.41 -0.49 0.89 -0.62 -1.11 0.00 0.00 177.39 176.47 3i1s n GLU 35 N -2.68 0.18 -0.36 1.96 1.02 -1.26 -1.24 120.64 118.26 3i1s n GLU 35 Ca 0.00 0.07 0.04 0.00 -0.02 0.00 0.00 57.16 57.25 3i1s n GLU 35 Cb 0.00 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.03 3i1s n GLU 35 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3i1s h GLN 36 N 0.00 -0.00 0.00 3.49 1.08 -1.75 -3.29 115.11 114.64 3i1s h GLN 36 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i1s h GLN 36 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3i1s h GLN 36 CO 0.00 -0.00 0.00 2.48 -0.95 0.00 0.00 178.83 180.36 3i1s n TYR 37 N -5.58 0.00 -0.04 2.96 -0.00 -1.26 -4.89 117.16 108.35 3i1s n TYR 37 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.04 3i1s n TYR 37 Cb 0.47 0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.85 3i1s n TYR 37 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 3i1s n PHE 38 N 0.00 0.00 -2.05 -3.48 0.99 -1.19 -4.99 117.46 106.74 3i1s n PHE 38 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.04 3i1s n PHE 38 Cb 0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.71 3i1s n PHE 38 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3i1s s GLY 39 N -0.54 0.58 -0.17 1.37 0.00 -0.37 -4.40 107.32 103.78 3i1s s GLY 39 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 44.72 44.51 3i1s s GLY 39 CO 0.00 3.28 0.10 0.54 0.00 0.00 0.00 173.10 177.02 3i1s n ARG 40 N 8.70 -2.88 0.00 2.90 1.74 -1.26 -4.85 116.66 121.01 3i1s n ARG 40 Ca 0.21 2.37 0.00 0.00 -0.77 0.00 0.00 57.85 59.66 3i1s n ARG 40 Cb 0.49 -3.94 0.00 0.00 -1.02 0.00 0.00 32.46 27.99 3i1s n ARG 40 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i1s n GLU 41 N 0.88 0.00 0.00 5.56 4.71 -1.26 -4.95 120.64 125.58 3i1s n GLU 41 Ca -0.17 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.00 3i1s n GLU 41 Cb 0.26 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.58 3i1s n GLU 41 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3i1s n THR 42 N 0.00 0.86 -3.64 2.62 -1.04 -1.26 -5.02 114.28 106.79 3i1s n THR 42 Ca 0.00 -0.66 0.01 0.00 -2.04 0.00 0.00 64.05 61.36 3i1s n THR 42 Cb 0.00 -0.45 -0.01 0.00 -1.82 0.00 0.00 70.33 68.05 3i1s n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i1s s ALA 43 N -3.04 -2.14 0.00 2.41 0.00 -1.26 -5.06 121.76 112.67 3i1s s ALA 43 Ca -0.05 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3i1s s ALA 43 Cb 0.10 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.63 3i1s s ALA 43 CO 0.84 -1.05 0.00 -2.13 0.00 0.00 0.00 175.76 173.41 3i1s n ARG 44 N -0.49 0.05 -0.04 0.00 0.63 -1.26 -4.68 116.66 110.87 3i1s n ARG 44 Ca -0.08 0.00 0.24 0.00 -0.92 0.00 0.00 57.85 57.09 3i1s n ARG 44 Cb 0.62 -0.00 0.68 0.00 0.45 0.00 0.00 32.46 34.21 3i1s n ARG 44 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 3i1s h MET 45 N 0.00 0.00 -0.77 -0.14 2.86 -1.97 0.21 114.93 115.12 3i1s h MET 45 Ca 0.00 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 57.92 3i1s h MET 45 Cb 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.52 3i1s h MET 45 CO 0.00 0.00 0.27 1.33 1.06 0.00 0.00 176.91 179.57 3i1s n VAL 46 N -3.68 -0.33 -0.04 -2.22 0.24 -1.26 0.64 118.33 111.68 3i1s n VAL 46 Ca 0.14 1.62 -0.08 0.00 -2.04 0.00 0.00 64.34 63.98 3i1s n VAL 46 Cb 0.92 -2.53 -0.14 0.00 -1.47 0.00 0.00 33.84 30.62 3i1s n VAL 46 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3i1s n VAL 47 N -4.88 1.51 0.01 3.34 0.24 0.74 -4.38 118.33 114.91 3i1s n VAL 47 Ca 0.25 -0.81 -0.12 0.00 -2.04 0.00 0.00 64.34 61.62 3i1s n VAL 47 Cb 0.85 -0.84 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 3i1s n VAL 47 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3i1s h ARG 48 N 0.00 -0.09 -0.78 7.34 2.47 -0.39 -3.34 114.38 119.59 3i1s h ARG 48 Ca -0.36 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.46 3i1s h ARG 48 Cb 2.06 0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 30.29 3i1s h ARG 48 CO 0.06 0.45 -0.39 1.04 0.56 0.00 0.00 179.97 181.69 3i1s n GLN 49 N -4.84 -0.27 -0.28 0.04 6.02 0.21 -2.65 117.38 115.61 3i1s n GLN 49 Ca -0.08 1.19 0.20 0.00 -0.01 0.00 0.00 57.00 58.29 3i1s n GLN 49 Cb 0.30 -1.75 0.38 0.00 1.02 0.00 0.00 30.24 30.18 3i1s n GLN 49 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3i1s n PRO 50 N -5.05 -0.06 -0.11 -1.09 -0.02 -1.25 0.09 135.00 127.50 3i1s n PRO 50 Ca 0.04 1.19 0.07 0.00 -2.02 0.00 0.00 63.50 62.78 3i1s n PRO 50 Cb 0.25 -2.02 0.12 0.00 -0.02 0.00 0.00 33.50 31.83 3i1s n PRO 50 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i1s n LEU 51 N -5.02 2.65 -0.11 2.45 4.32 -1.08 -4.30 117.00 115.91 3i1s n LEU 51 Ca 0.26 -1.52 0.00 0.00 -0.02 0.00 0.00 56.01 54.73 3i1s n LEU 51 Cb 0.87 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 42.52 3i1s n LEU 51 CO -0.02 0.59 0.16 -0.62 -1.22 0.00 0.00 177.39 176.27 3i1s n GLU 52 N 0.75 0.35 0.02 3.23 -0.58 0.11 0.74 120.64 125.26 3i1s n GLU 52 Ca 0.11 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.96 3i1s n GLU 52 Cb 0.40 -1.04 0.05 0.00 -0.57 0.00 0.00 31.44 30.29 3i1s n GLU 52 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3i1s n LEU 53 N -0.32 0.65 -0.00 -4.62 -0.00 -1.26 -4.42 117.00 107.02 3i1s n LEU 53 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 3i1s n LEU 53 Cb 0.02 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 3i1s n LEU 53 CO 0.00 0.09 0.14 1.33 -0.00 0.00 0.00 177.39 178.95 3i1s n VAL 54 N -1.79 0.00 -2.05 1.96 0.24 0.16 -5.13 118.33 111.72 3i1s n VAL 54 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 3i1s n VAL 54 Cb 0.40 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 3i1s n VAL 54 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3i1s n ASP 55 N 0.00 -9.16 0.00 -1.34 2.03 0.23 -5.00 116.55 103.31 3i1s n ASP 55 Ca 0.00 1.39 0.00 0.00 0.52 0.00 0.00 54.79 56.70 3i1s n ASP 55 Cb 0.50 -5.12 0.00 0.00 -0.72 0.00 0.00 41.12 35.78 3i1s n ASP 55 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3i1s n MET 56 N 1.64 2.73 -1.74 -0.67 0.00 -1.25 -4.43 117.12 113.39 3i1s n MET 56 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.60 3i1s n MET 56 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 3i1s n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3i1s n VAL 57 N 0.00 -0.18 0.00 3.17 0.31 -1.26 -3.79 118.33 116.58 3i1s n VAL 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1s n VAL 57 Cb 0.00 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 3i1s n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3i1s n GLU 58 N -2.07 0.00 -0.17 5.55 0.28 -1.25 -4.11 120.64 118.86 3i1s n GLU 58 Ca -0.10 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.85 3i1s n GLU 58 Cb 0.42 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.42 3i1s n GLU 58 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3i1s h LYS 59 N 0.00 0.94 -2.93 3.44 3.64 -1.77 -3.37 116.57 116.52 3i1s h LYS 59 Ca 0.00 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 3i1s h LYS 59 Cb 0.00 -0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 31.56 3i1s h LYS 59 CO 0.00 0.86 0.17 -0.48 -2.27 0.00 0.00 179.45 177.74 3i1s s LEU 60 N -9.37 -0.46 1.23 5.20 0.05 -1.20 -4.39 118.68 109.74 3i1s s LEU 60 Ca -0.11 0.05 -0.17 0.00 0.05 0.00 0.00 54.13 53.96 3i1s s LEU 60 Cb 0.15 2.50 0.30 0.00 -2.05 0.00 0.00 46.19 47.09 3i1s s LEU 60 CO 0.82 -0.91 1.02 1.51 -0.55 0.00 0.00 176.35 178.24 3i1s s ASP 61 N -2.56 0.56 -0.37 1.48 -4.77 0.25 -3.42 116.67 107.84 3i1s s ASP 61 Ca -0.00 1.13 0.01 0.00 -3.30 0.00 0.00 52.55 50.38 3i1s s ASP 61 Cb -0.01 -1.71 0.12 0.00 -1.09 0.00 0.00 42.92 40.24 3i1s s ASP 61 CO -0.10 -4.41 0.17 -0.76 0.70 0.00 0.00 175.17 170.78 3i1s s LEU 62 N -7.27 2.22 -0.41 2.11 2.01 -1.07 -4.35 118.68 111.93 3i1s s LEU 62 Ca 0.68 -2.14 -0.09 0.00 0.01 0.00 0.00 54.13 52.60 3i1s s LEU 62 Cb -0.19 -0.86 0.07 0.00 0.01 0.00 0.00 46.19 45.23 3i1s s LEU 62 CO 0.61 -0.34 0.24 -0.47 1.01 0.00 0.00 176.35 177.40 3i1s s TYR 63 N 1.00 3.33 0.06 0.29 6.14 -1.04 0.37 117.35 127.51 3i1s s TYR 63 Ca 0.14 -1.51 0.10 0.00 0.64 0.00 0.00 57.07 56.44 3i1s s TYR 63 Cb -0.21 -2.87 -0.03 0.00 0.42 0.00 0.00 41.96 39.27 3i1s s TYR 63 CO -0.10 -0.83 -0.27 0.42 0.64 0.00 0.00 175.55 175.41 3i1s s ILE 64 N 1.42 2.17 -0.02 3.14 1.09 -0.97 -0.67 121.20 127.35 3i1s s ILE 64 Ca 0.03 -1.48 0.04 0.00 -1.10 0.00 0.00 60.65 58.14 3i1s s ILE 64 Cb -0.22 -1.87 -0.01 0.00 -1.06 0.00 0.00 42.46 39.30 3i1s s ILE 64 CO 0.02 0.30 -0.15 -0.89 -0.10 0.00 0.00 174.94 174.13 3i1s s THR 65 N -0.86 1.19 -0.10 2.92 2.01 0.26 -0.15 115.64 120.90 3i1s s THR 65 Ca 0.12 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 3i1s s THR 65 Cb -0.10 -1.01 0.04 0.00 0.01 0.00 0.00 72.50 71.45 3i1s s THR 65 CO 0.03 0.34 0.23 0.54 -0.69 0.00 0.00 174.62 175.07 3i1s s VAL 66 N -0.13 -0.04 -0.24 3.82 0.11 -1.26 -1.25 120.40 121.41 3i1s s VAL 66 Ca 0.01 0.15 -0.03 0.00 -2.93 0.00 0.00 61.98 59.19 3i1s s VAL 66 Cb -0.08 -0.35 0.12 0.00 -1.53 0.00 0.00 36.38 34.53 3i1s s VAL 66 CO 0.00 0.06 0.29 -0.54 -3.33 0.00 0.00 175.10 171.58 3i1s s LYS 67 N 1.22 0.27 0.00 1.54 3.01 -0.95 -4.97 119.74 119.86 3i1s s LYS 67 Ca -0.09 0.21 0.00 0.00 -1.01 0.00 0.00 55.97 55.08 3i1s s LYS 67 Cb -0.10 -0.86 0.00 0.00 -1.01 0.00 0.00 37.83 35.86 3i1s s LYS 67 CO -0.08 -0.75 0.00 0.41 0.51 0.00 0.00 175.35 175.44 3i1s n GLY 68 N 5.33 3.84 4.02 -3.33 0.00 -1.26 -2.44 105.19 111.35 3i1s n GLY 68 Ca -0.04 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3i1s n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1s n GLY 69 N -1.31 0.83 3.35 -0.02 0.00 -1.15 -4.40 105.19 102.50 3i1s n GLY 69 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 45.10 3i1s n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1s s GLY 70 N 0.00 -0.28 0.00 -0.02 0.00 -1.26 -4.99 107.32 100.77 3i1s s GLY 70 Ca 0.00 2.91 0.00 0.00 0.00 0.00 0.00 44.72 47.63 3i1s s GLY 70 CO 0.00 3.34 0.00 0.29 0.00 0.00 0.00 173.10 176.73 3i1s n ILE 71 N 5.10 0.00 -0.39 0.90 -6.64 -1.26 -0.17 119.36 116.90 3i1s n ILE 71 Ca -0.08 0.00 0.31 0.00 -1.77 0.00 0.00 62.75 61.20 3i1s n ILE 71 Cb 0.53 0.00 0.59 0.00 -1.44 0.00 0.00 39.64 39.31 3i1s n ILE 71 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 3i1s h SER 72 N 0.00 0.33 0.82 7.28 0.02 -1.99 1.11 113.55 121.13 3i1s h SER 72 Ca 0.00 0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 3i1s h SER 72 Cb 0.00 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3i1s h SER 72 CO 0.00 -0.08 -0.64 1.23 -1.14 0.00 0.00 176.83 176.20 3i1s h GLY 73 N 0.22 0.00 0.34 -3.77 0.00 -0.89 -3.00 103.07 95.97 3i1s h GLY 73 Ca 0.72 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 48.05 3i1s h GLY 73 CO -0.38 0.00 -0.05 1.46 0.00 0.00 0.00 176.54 177.57 3i1s h GLN 74 N 0.00 -0.12 -1.07 4.80 4.20 0.11 -3.01 115.11 120.01 3i1s h GLN 74 Ca -0.01 0.01 0.29 0.00 0.06 0.00 0.00 58.65 59.00 3i1s h GLN 74 Cb 1.23 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.95 3i1s h GLN 74 CO 0.08 0.40 0.71 0.00 -0.67 0.00 0.00 178.83 179.35 3i1s h ALA 75 N -0.07 2.43 -0.08 3.87 0.00 -1.07 0.90 119.26 125.24 3i1s h ALA 75 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3i1s h ALA 75 Cb 0.58 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3i1s h ALA 75 CO 0.02 -0.83 -0.01 0.78 0.00 0.00 0.00 179.25 179.21 3i1s h GLY 76 N 0.30 0.16 1.02 0.00 0.00 -1.58 0.16 103.07 103.13 3i1s h GLY 76 Ca 0.60 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.77 3i1s h GLY 76 CO -0.25 0.11 0.30 0.00 0.00 0.00 0.00 176.54 176.70 3i1s h ALA 77 N 0.70 0.91 0.11 3.60 0.00 -0.28 0.19 119.26 124.48 3i1s h ALA 77 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i1s h ALA 77 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i1s h ALA 77 CO 0.01 0.51 -0.20 0.82 0.00 0.00 0.00 179.25 180.39 3i1s h ILE 78 N 0.99 0.00 -0.22 0.00 2.04 0.66 0.65 117.51 121.63 3i1s h ILE 78 Ca 0.24 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.13 3i1s h ILE 78 Cb 0.18 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.19 3i1s h ILE 78 CO -0.02 0.00 -0.54 -0.09 0.00 0.00 0.00 178.15 177.50 3i1s h ARG 79 N -0.33 -0.50 -0.83 2.37 2.43 -0.40 1.66 114.38 118.77 3i1s h ARG 79 Ca -0.01 0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.40 3i1s h ARG 79 Cb 0.31 0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 29.84 3i1s h ARG 79 CO -0.07 -0.33 0.22 1.25 -1.51 0.00 0.00 179.97 179.52 3i1s h HIS 80 N -0.52 0.33 -0.14 2.20 2.76 -0.66 -1.55 115.15 117.57 3i1s h HIS 80 Ca 0.05 0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.14 3i1s h HIS 80 Cb 0.65 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 3i1s h HIS 80 CO -0.62 -0.16 -0.49 0.78 -1.30 0.00 0.00 177.93 176.15 3i1s h GLY 81 N 0.24 0.40 0.77 5.26 0.00 0.67 0.08 103.07 110.48 3i1s h GLY 81 Ca 0.50 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 3i1s h GLY 81 CO -0.60 0.39 -0.03 -2.22 0.00 0.00 0.00 176.54 174.08 3i1s h ILE 82 N 0.29 1.28 0.00 2.60 2.04 0.30 0.50 117.51 124.52 3i1s h ILE 82 Ca 0.01 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3i1s h ILE 82 Cb 0.96 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3i1s h ILE 82 CO 0.08 0.28 -0.15 0.00 0.00 0.00 0.00 178.15 178.36 3i1s h THR 83 N -0.00 0.38 0.00 -0.27 1.03 -1.35 0.83 112.91 113.53 3i1s h THR 83 Ca 0.04 -0.89 -0.03 0.00 -0.01 0.00 0.00 66.41 65.52 3i1s h THR 83 Cb 0.44 1.66 -0.00 0.00 -1.07 0.00 0.00 68.15 69.18 3i1s h THR 83 CO 0.01 0.14 -0.14 0.03 -0.01 0.00 0.00 175.52 175.56 3i1s h ARG 84 N 0.00 0.00 -0.72 0.00 2.47 -0.60 -2.87 114.38 112.66 3i1s h ARG 84 Ca -0.00 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 58.29 3i1s h ARG 84 Cb 0.65 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 28.73 3i1s h ARG 84 CO 0.02 0.14 0.23 0.00 0.56 0.00 0.00 179.97 180.91 3i1s n ALA 85 N -2.18 5.21 -2.69 0.04 0.00 0.25 -4.13 120.51 117.01 3i1s n ALA 85 Ca -0.00 -3.24 -0.07 0.00 0.00 0.00 0.00 53.44 50.13 3i1s n ALA 85 Cb 0.36 -1.10 0.09 0.00 0.00 0.00 0.00 19.45 18.80 3i1s n ALA 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1s n LEU 86 N -1.04 -0.83 0.00 0.00 7.94 -1.00 -4.71 117.00 117.35 3i1s n LEU 86 Ca 0.48 -3.52 0.00 0.00 -1.11 0.00 0.00 56.01 51.86 3i1s n LEU 86 Cb 1.13 0.15 0.00 0.00 0.53 0.00 0.00 43.42 45.23 3i1s n LEU 86 CO 0.46 1.78 0.01 1.15 -1.11 0.00 0.00 177.39 179.68 3i1s n MET 87 N -0.47 0.00 0.13 1.96 0.00 -1.26 -4.84 117.12 112.64 3i1s n MET 87 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 57.70 57.46 3i1s n MET 87 Cb 0.84 -0.07 -0.15 0.00 0.00 0.00 0.00 33.22 33.85 3i1s n MET 87 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3i1s h GLU 88 N 0.00 0.50 -0.53 3.17 3.07 -1.88 -3.17 114.58 115.74 3i1s h GLU 88 Ca 0.00 -0.81 -0.01 0.00 -0.50 0.00 0.00 59.36 58.04 3i1s h GLU 88 Cb 0.65 0.29 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 3i1s h GLU 88 CO 0.00 1.38 0.29 -0.92 -1.40 0.00 0.00 179.01 178.36 3i1s h TYR 89 N 0.16 0.72 -3.34 4.33 5.03 -1.93 -3.42 116.97 118.52 3i1s h TYR 89 Ca -0.22 -0.02 -0.39 0.00 2.58 0.00 0.00 58.73 60.69 3i1s h TYR 89 Cb 2.07 -0.23 -0.37 0.00 1.55 0.00 0.00 36.73 39.75 3i1s h TYR 89 CO 0.11 0.53 -0.75 0.34 -1.32 0.00 0.00 178.16 177.06 3i1s s ASP 90 N -5.82 1.14 0.00 -2.11 -1.08 -1.23 -5.02 116.67 102.55 3i1s s ASP 90 Ca -0.13 -0.02 0.30 0.00 -0.52 0.00 0.00 52.55 52.17 3i1s s ASP 90 Cb 0.12 -0.30 1.36 0.00 -1.46 0.00 0.00 42.92 42.64 3i1s s ASP 90 CO 0.76 -0.18 1.98 1.21 0.52 0.00 0.00 175.17 179.46 3i1s n GLU 91 N 4.90 0.21 -0.40 4.34 4.07 -1.20 -3.00 120.64 129.56 3i1s n GLU 91 Ca -0.11 -0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.08 3i1s n GLU 91 Cb 0.50 -1.50 0.30 0.00 -0.06 0.00 0.00 31.44 30.68 3i1s n GLU 91 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3i1s n SER 92 N -1.39 3.76 0.09 4.31 3.41 -1.26 -3.64 113.62 118.91 3i1s n SER 92 Ca 0.10 -2.12 0.12 0.00 -0.26 0.00 0.00 58.87 56.71 3i1s n SER 92 Cb 0.29 -0.47 0.07 0.00 -0.26 0.00 0.00 64.21 63.84 3i1s n SER 92 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i1s h LEU 93 N 3.80 0.00 -0.51 1.04 -0.00 -1.87 -3.38 115.31 114.38 3i1s h LEU 93 Ca 0.00 -0.08 0.05 0.00 -0.00 0.00 0.00 57.88 57.85 3i1s h LEU 93 Cb 1.01 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.59 3i1s h LEU 93 CO 0.06 0.04 -0.49 0.03 -0.00 0.00 0.00 178.44 178.08 3i1s h ARG 94 N 0.00 -0.23 -0.64 1.13 2.47 -1.78 -1.65 114.38 113.68 3i1s h ARG 94 Ca 0.00 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 3i1s h ARG 94 Cb 0.91 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.25 3i1s h ARG 94 CO 0.00 -0.15 0.30 1.03 0.56 0.00 0.00 179.97 181.71 3i1s h SER 95 N -0.23 0.82 0.06 7.04 0.87 -1.85 -1.00 113.55 119.25 3i1s h SER 95 Ca 0.09 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3i1s h SER 95 Cb 0.46 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3i1s h SER 95 CO -0.61 0.70 0.00 -0.62 -0.53 0.00 0.00 176.83 175.77 3i1s n GLU 96 N -4.34 0.01 -0.06 2.24 -0.58 -0.66 -2.76 120.64 114.49 3i1s n GLU 96 Ca 0.06 0.37 -0.10 0.00 -0.42 0.00 0.00 57.16 57.07 3i1s n GLU 96 Cb 0.13 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.45 3i1s n GLU 96 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3i1s n LEU 97 N -1.40 2.46 -0.31 -4.62 4.77 -0.43 -4.29 117.00 113.18 3i1s n LEU 97 Ca 0.01 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3i1s n LEU 97 Cb 0.02 -0.43 0.21 0.00 -2.33 0.00 0.00 43.42 40.89 3i1s n LEU 97 CO 0.02 0.60 1.15 0.03 -1.33 0.00 0.00 177.39 177.86 3i1s h ARG 98 N -0.13 0.76 -0.51 3.23 3.08 -1.23 0.67 114.38 120.25 3i1s h ARG 98 Ca -0.30 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 3i1s h ARG 98 Cb 1.40 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 3i1s h ARG 98 CO -0.09 0.50 0.25 1.57 -1.07 0.00 0.00 179.97 181.14 3i1s h LYS 99 N 0.78 0.71 -0.24 0.04 2.10 -1.80 -1.32 116.57 116.85 3i1s h LYS 99 Ca 0.45 -0.08 -0.10 0.00 -2.00 0.00 0.00 60.65 58.92 3i1s h LYS 99 Cb 0.50 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 3i1s h LYS 99 CO -0.29 0.55 -0.28 0.00 -2.00 0.00 0.00 179.45 177.43 3i1s h ALA 100 N 1.57 1.07 -0.33 0.07 0.00 -0.06 -3.47 119.26 118.10 3i1s h ALA 100 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i1s h ALA 100 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i1s h ALA 100 CO -0.03 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.21 3i1s n GLY 101 N -0.32 0.92 0.07 0.00 0.00 0.11 -5.00 105.19 100.98 3i1s n GLY 101 Ca -0.01 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 3i1s n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1s n PHE 102 N -2.43 0.00 0.96 1.61 3.72 -1.23 -4.46 117.46 115.64 3i1s n PHE 102 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 3i1s n PHE 102 Cb 0.34 -0.69 0.10 0.00 -0.94 0.00 0.00 39.48 38.30 3i1s n PHE 102 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3i1s n VAL 103 N -2.52 0.00 -3.68 -4.37 0.24 -1.26 -4.51 118.33 102.24 3i1s n VAL 103 Ca -0.23 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.69 3i1s n VAL 103 Cb 0.95 -0.37 -0.12 0.00 -1.47 0.00 0.00 33.84 32.83 3i1s n VAL 103 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i1s s THR 104 N -2.00 4.28 -0.20 3.34 2.01 -1.26 -5.05 115.64 116.75 3i1s s THR 104 Ca 0.05 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 60.96 3i1s s THR 104 Cb 0.02 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 3i1s s THR 104 CO 0.04 -0.10 1.62 -0.60 -0.69 0.00 0.00 174.62 174.89 3i1s s ARG 105 N 1.52 3.84 -0.97 4.92 3.00 -1.26 -4.93 118.95 125.06 3i1s s ARG 105 Ca 0.02 1.72 -0.24 0.00 -1.00 0.00 0.00 55.73 56.23 3i1s s ARG 105 Cb -0.18 -4.03 0.03 0.00 0.00 0.00 0.00 34.95 30.77 3i1s s ARG 105 CO 0.05 -1.24 1.53 0.16 0.00 0.00 0.00 175.30 175.80 3i1s s ASP 106 N 4.13 6.21 0.00 -2.12 1.47 -1.26 -4.83 116.67 120.27 3i1s s ASP 106 Ca 0.71 -1.21 0.00 0.00 1.18 0.00 0.00 52.55 53.24 3i1s s ASP 106 Cb -0.26 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 39.76 3i1s s ASP 106 CO 0.29 -1.77 0.21 0.00 0.68 0.00 0.00 175.17 174.58 3i1s n ALA 107 N 9.90 1.60 -1.84 2.11 0.00 -1.26 -4.51 120.51 126.52 3i1s n ALA 107 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.38 3i1s n ALA 107 Cb 0.50 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 3i1s n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i1s s ARG 108 N -1.54 2.47 0.35 0.00 0.52 -1.26 -4.93 118.95 114.55 3i1s s ARG 108 Ca 0.00 1.00 0.01 0.00 -0.52 0.00 0.00 55.73 56.22 3i1s s ARG 108 Cb 0.00 -4.46 0.01 0.00 0.52 0.00 0.00 34.95 31.02 3i1s s ARG 108 CO 0.00 -2.89 0.08 0.94 0.02 0.00 0.00 175.30 173.45 3i1s n GLN 109 N 9.07 1.11 -3.35 3.54 7.27 -1.26 -4.71 117.38 129.05 3i1s n GLN 109 Ca 0.27 -2.43 -0.38 0.00 0.07 0.00 0.00 57.00 54.53 3i1s n GLN 109 Cb 0.53 0.54 -0.06 0.00 2.41 0.00 0.00 30.24 33.65 3i1s n GLN 109 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 3i1s s VAL 110 N -2.10 5.11 0.20 1.69 -7.23 -1.26 -5.03 120.40 111.77 3i1s s VAL 110 Ca 0.06 0.96 -0.33 0.00 -1.81 0.00 0.00 61.98 60.87 3i1s s VAL 110 Cb -0.01 -3.81 -0.13 0.00 0.56 0.00 0.00 36.38 33.00 3i1s s VAL 110 CO 0.04 0.40 1.66 -0.62 -0.31 0.00 0.00 175.10 176.27 3i1s n GLU 111 N 3.09 2.55 -1.67 4.82 4.71 -1.26 -4.95 120.64 127.92 3i1s n GLU 111 Ca -0.09 0.92 -0.38 0.00 -0.01 0.00 0.00 57.16 57.60 3i1s n GLU 111 Cb 0.52 -2.73 0.06 0.00 -1.01 0.00 0.00 31.44 28.27 3i1s n GLU 111 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 3i1s n ARG 112 N 3.63 1.09 -2.24 3.49 1.85 -1.26 -4.79 116.66 118.43 3i1s n ARG 112 Ca 0.16 0.42 -0.36 0.00 -1.00 0.00 0.00 57.85 57.07 3i1s n ARG 112 Cb 0.33 -2.36 -0.00 0.00 -1.05 0.00 0.00 32.46 29.38 3i1s n ARG 112 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3i1s s LYS 113 N -2.99 3.56 -0.15 2.89 2.20 -1.26 -4.34 119.74 119.64 3i1s s LYS 113 Ca 0.78 1.72 0.02 0.00 -0.36 0.00 0.00 55.97 58.12 3i1s s LYS 113 Cb -0.41 -2.22 0.01 0.00 -1.51 0.00 0.00 37.83 33.71 3i1s s LYS 113 CO 0.45 -0.71 -0.21 0.15 -0.36 0.00 0.00 175.35 174.67 3i1s s LYS 114 N -2.96 3.00 -0.18 4.03 1.02 -1.26 -4.83 119.74 118.55 3i1s s LYS 114 Ca 0.68 -0.84 -0.36 0.00 0.02 0.00 0.00 55.97 55.46 3i1s s LYS 114 Cb -0.27 -2.47 -0.13 0.00 -0.52 0.00 0.00 37.83 34.44 3i1s s LYS 114 CO 0.32 -0.08 1.87 1.55 -0.92 0.00 0.00 175.35 178.09 3i1s n VAL 115 N 4.24 0.46 0.00 3.17 3.14 -1.26 -0.73 118.33 127.34 3i1s n VAL 115 Ca -0.20 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 3i1s n VAL 115 Cb 0.51 -1.64 0.00 0.00 -1.06 0.00 0.00 33.84 31.65 3i1s n VAL 115 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i1s n GLY 116 N 4.53 0.98 3.43 7.55 0.00 -1.26 -5.08 105.19 115.34 3i1s n GLY 116 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 3i1s n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1s s LEU 117 N 0.00 2.46 0.28 0.99 1.43 0.09 -4.72 118.68 119.21 3i1s s LEU 117 Ca 0.00 -0.89 0.10 0.00 -1.03 0.00 0.00 54.13 52.31 3i1s s LEU 117 Cb 0.00 -1.15 0.40 0.00 0.03 0.00 0.00 46.19 45.47 3i1s s LEU 117 CO 0.00 0.10 1.64 0.03 0.23 0.00 0.00 176.35 178.35 3i1s h ARG 118 N 3.07 0.02 -0.56 1.70 3.08 -1.64 -3.44 114.38 116.61 3i1s h ARG 118 Ca -0.45 -0.01 0.21 0.00 0.07 0.00 0.00 59.98 59.80 3i1s h ARG 118 Cb 1.22 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.04 3i1s h ARG 118 CO 0.50 0.59 0.17 -1.59 -1.07 0.00 0.00 179.97 178.57 3i1s s LYS 119 N -3.70 0.23 0.00 0.04 -2.85 -1.23 -4.99 119.74 107.24 3i1s s LYS 119 Ca -0.02 0.47 0.00 0.00 -1.00 0.00 0.00 55.97 55.43 3i1s s LYS 119 Cb 0.13 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 3i1s s LYS 119 CO 0.76 -0.18 0.00 0.00 0.10 0.00 0.00 175.35 176.03 3i1s n ALA 120 N 5.24 0.00 0.00 0.59 0.00 -1.26 -0.62 120.51 124.45 3i1s n ALA 120 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3i1s n ALA 120 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i1s n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1s n ARG 121 N 0.00 3.45 -2.15 0.00 5.12 -1.26 -4.48 116.66 117.34 3i1s n ARG 121 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 3i1s n ARG 121 Cb 0.00 -0.73 -0.02 0.00 -1.16 0.00 0.00 32.46 30.55 3i1s n ARG 121 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3i1s s ARG 122 N -1.43 3.87 -0.15 5.56 6.06 0.20 -5.00 118.95 128.07 3i1s s ARG 122 Ca 0.00 1.67 -0.07 0.00 -2.50 0.00 0.00 55.73 54.83 3i1s s ARG 122 Cb 0.00 -4.00 -0.04 0.00 0.06 0.00 0.00 34.95 30.97 3i1s s ARG 122 CO 0.00 -1.20 0.09 0.50 -2.50 0.00 0.00 175.30 172.19 3i1s s ARG 123 N 4.49 3.69 0.50 5.12 6.06 -1.26 -1.90 118.95 135.65 3i1s s ARG 123 Ca 0.69 -0.27 -0.21 0.00 -2.50 0.00 0.00 55.73 53.44 3i1s s ARG 123 Cb -0.25 -3.17 -0.07 0.00 0.06 0.00 0.00 34.95 31.52 3i1s s ARG 123 CO 0.28 0.50 1.13 -2.14 -2.50 0.00 0.00 175.30 172.56 3i1s s PRO 124 N -0.26 3.60 0.90 5.12 0.02 -1.26 -4.94 135.00 138.18 3i1s s PRO 124 Ca 0.09 1.64 -0.15 0.00 0.02 0.00 0.00 61.00 62.60 3i1s s PRO 124 Cb -0.12 -2.19 0.22 0.00 0.02 0.00 0.00 34.50 32.43 3i1s s PRO 124 CO 0.01 -0.65 0.86 1.04 -0.33 0.00 0.00 177.00 177.93 3i1s n GLN 125 N -0.89 -2.34 -2.93 5.54 3.00 -1.26 -5.05 117.38 113.45 3i1s n GLN 125 Ca 0.09 -1.37 -0.13 0.00 -0.01 0.00 0.00 57.00 55.58 3i1s n GLN 125 Cb 0.50 -1.21 0.03 0.00 0.00 0.00 0.00 30.24 29.57 3i1s n GLN 125 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 3i1s n PHE 126 N -4.13 -1.11 -0.32 1.08 -0.00 -1.26 -5.14 117.46 106.57 3i1s n PHE 126 Ca 0.12 -2.94 -0.00 0.00 -0.00 0.00 0.00 57.45 54.63 3i1s n PHE 126 Cb 0.45 0.53 0.00 0.00 -0.00 0.00 0.00 39.48 40.45 3i1s n PHE 126 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3i1s n SER 127 N 0.22 -1.37 -0.96 5.98 3.41 -1.26 -3.89 113.62 115.74 3i1s n SER 127 Ca 0.14 -0.32 -0.12 0.00 -0.26 0.00 0.00 58.87 58.31 3i1s n SER 127 Cb 0.70 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.59 3i1s n SER 127 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3i1s n LYS 128 N -1.71 -1.66 -0.48 4.33 3.00 -1.26 -5.35 118.16 115.04 3i1s n LYS 128 Ca 0.00 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 59.22 3i1s n LYS 128 Cb 0.00 -5.29 0.00 0.00 0.00 0.00 0.00 35.03 29.74 3i1s n LYS 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94