#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n ILE 2 N 0.00 0.00 0.00 3.17 -0.00 -0.75 -4.79 119.36 116.99 3i1t n ILE 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3i1t n ILE 2 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 39.64 39.33 3i1t n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i1t n GLN 3 N -0.45 0.00 -1.76 0.38 10.64 -1.26 -4.79 117.38 120.14 3i1t n GLN 3 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 3i1t n GLN 3 Cb 0.00 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3i1t n GLN 3 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3i1t n GLU 4 N -1.72 2.61 0.00 2.61 1.02 -1.26 -4.26 120.64 119.63 3i1t n GLU 4 Ca 0.00 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 3i1t n GLU 4 Cb 0.00 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 28.79 3i1t n GLU 4 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3i1t n GLN 5 N 0.53 0.00 -1.88 3.49 1.13 -0.35 -4.99 117.38 115.31 3i1t n GLN 5 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 3i1t n GLN 5 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.73 3i1t n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3i1t n THR 6 N 0.00-12.00 -3.22 5.09 -1.04 -1.26 -1.49 114.28 100.37 3i1t n THR 6 Ca 0.00 3.04 -0.41 0.00 -2.04 0.00 0.00 64.05 64.64 3i1t n THR 6 Cb 0.00 -5.07 -0.08 0.00 -1.82 0.00 0.00 70.33 63.37 3i1t n THR 6 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 3i1t s MET 7 N -0.99 3.73 -0.02 -2.82 1.75 -1.26 -3.54 119.30 116.15 3i1t s MET 7 Ca 0.00 -0.02 0.03 0.00 -1.25 0.00 0.00 55.69 54.45 3i1t s MET 7 Cb 0.00 -3.77 -0.03 0.00 2.84 0.00 0.00 34.83 33.86 3i1t s MET 7 CO 0.00 -0.60 -0.09 -0.51 -0.65 0.00 0.00 175.02 173.17 3i1t s LEU 8 N 2.44 3.06 0.62 4.11 1.02 -1.00 -4.80 118.68 124.12 3i1t s LEU 8 Ca 0.20 -0.15 -0.07 0.00 0.02 0.00 0.00 54.13 54.13 3i1t s LEU 8 Cb -0.15 -1.72 0.01 0.00 0.02 0.00 0.00 46.19 44.35 3i1t s LEU 8 CO 0.13 0.31 0.95 0.20 0.02 0.00 0.00 176.35 177.95 3i1t s ASN 9 N -1.19 5.50 -0.22 2.29 0.02 0.13 -1.71 114.94 119.77 3i1t s ASN 9 Ca 0.15 0.78 -0.09 0.00 -1.02 0.00 0.00 52.86 52.69 3i1t s ASN 9 Cb -0.11 -1.71 -0.04 0.00 0.02 0.00 0.00 41.25 39.41 3i1t s ASN 9 CO 0.05 -1.16 0.10 -0.69 0.02 0.00 0.00 177.10 175.42 3i1t s VAL 10 N -3.09 4.91 -2.49 1.60 1.01 -1.26 -0.24 120.40 120.84 3i1t s VAL 10 Ca 0.55 0.02 0.23 0.00 0.00 0.00 0.00 61.98 62.78 3i1t s VAL 10 Cb -0.11 -3.26 0.42 0.00 0.00 0.00 0.00 36.38 33.43 3i1t s VAL 10 CO 0.46 0.39 1.48 0.00 0.00 0.00 0.00 175.10 177.44 3i1t n ALA 11 N 4.07 2.49 -4.62 5.51 0.00 0.14 -4.85 120.51 123.25 3i1t n ALA 11 Ca -0.16 -0.69 -0.31 0.00 0.00 0.00 0.00 53.44 52.28 3i1t n ALA 11 Cb 0.52 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 3i1t n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i1t n ASP 12 N 0.83 3.29 -4.91 0.00 5.75 -1.26 -1.17 116.55 119.08 3i1t n ASP 12 Ca 0.17 -3.14 -0.27 0.00 -0.01 0.00 0.00 54.79 51.55 3i1t n ASP 12 Cb 0.46 0.29 -0.00 0.00 -1.03 0.00 0.00 41.12 40.84 3i1t n ASP 12 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i1t s ASN 13 N -3.80 6.26 -0.08 -1.12 6.03 -1.23 -4.84 114.94 116.15 3i1t s ASN 13 Ca 0.05 0.84 -0.06 0.00 -1.03 0.00 0.00 52.86 52.65 3i1t s ASN 13 Cb -0.00 -2.20 0.02 0.00 -3.03 0.00 0.00 41.25 36.04 3i1t s ASN 13 CO 0.03 -0.53 0.13 -0.24 -2.03 0.00 0.00 177.10 174.45 3i1t n SER 14 N -2.18 -4.83 0.00 3.54 2.88 -1.26 -4.47 113.62 107.30 3i1t n SER 14 Ca -0.00 1.60 0.00 0.00 -1.33 0.00 0.00 58.87 59.14 3i1t n SER 14 Cb 0.55 -5.16 0.00 0.00 -0.75 0.00 0.00 64.21 58.85 3i1t n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1t n GLY 15 N 1.81 -0.58 7.00 0.46 0.00 -1.26 -4.70 105.19 107.92 3i1t n GLY 15 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3i1t n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1t n ALA 16 N 0.00 0.00 -1.00 4.61 0.00 -1.26 -3.28 120.51 119.58 3i1t n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1t n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1t n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1t n ARG 17 N -0.06 3.12 0.00 0.00 0.63 -1.26 -4.14 116.66 114.94 3i1t n ARG 17 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i1t n ARG 17 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3i1t n ARG 17 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i1t n ARG 18 N 0.00 0.00 -3.73 -0.14 1.74 -1.24 -4.20 116.66 109.09 3i1t n ARG 18 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 3i1t n ARG 18 Cb 0.00 0.00 -0.18 0.00 -1.02 0.00 0.00 32.46 31.26 3i1t n ARG 18 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i1t s VAL 19 N 0.00 0.04 -0.06 1.55 1.01 -0.69 -2.10 120.40 120.14 3i1t s VAL 19 Ca 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 3i1t s VAL 19 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 3i1t s VAL 19 CO 0.00 0.19 0.07 -0.32 0.00 0.00 0.00 175.10 175.04 3i1t s MET 20 N 1.91 3.15 0.27 2.72 0.00 -1.07 -2.38 119.30 123.89 3i1t s MET 20 Ca 0.02 -0.36 -0.30 0.00 0.00 0.00 0.00 55.69 55.06 3i1t s MET 20 Cb -0.12 -2.93 -0.09 0.00 0.00 0.00 0.00 34.83 31.68 3i1t s MET 20 CO -0.03 0.70 1.03 0.00 0.00 0.00 0.00 175.02 176.72 3i1t n ILE 22 N 1.28 0.00 -3.63 0.00 -5.35 0.25 -1.21 119.36 110.70 3i1t n ILE 22 Ca -0.01 -0.30 -0.04 0.00 -0.27 0.00 0.00 62.75 62.12 3i1t n ILE 22 Cb 0.46 0.86 -0.06 0.00 -1.74 0.00 0.00 39.64 39.15 3i1t n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3i1t s LYS 23 N -0.97 0.58 -1.25 6.28 2.47 -1.20 -4.91 119.74 120.74 3i1t s LYS 23 Ca 0.00 1.08 -0.10 0.00 -1.56 0.00 0.00 55.97 55.39 3i1t s LYS 23 Cb 0.00 0.24 0.18 0.00 -1.46 0.00 0.00 37.83 36.79 3i1t s LYS 23 CO 0.00 -0.14 1.76 0.28 0.16 0.00 0.00 175.35 177.41 3i1t n VAL 24 N 4.35 4.41 -0.57 4.02 0.31 -1.26 -2.20 118.33 127.39 3i1t n VAL 24 Ca -0.18 -4.59 -0.30 0.00 -0.01 0.00 0.00 64.34 59.27 3i1t n VAL 24 Cb 0.57 -2.36 0.22 0.00 -0.91 0.00 0.00 33.84 31.36 3i1t n VAL 24 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1t n LEU 25 N 3.98 -0.24 0.00 7.52 -0.00 -1.25 -4.21 117.00 122.80 3i1t n LEU 25 Ca 0.38 0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.41 3i1t n LEU 25 Cb 0.37 -1.28 0.00 0.00 -0.00 0.00 0.00 43.42 42.51 3i1t n LEU 25 CO 0.77 -3.00 0.00 0.61 -0.00 0.00 0.00 177.39 175.77 3i1t n GLY 26 N 0.97 1.35 3.36 1.47 0.00 -1.26 -4.76 105.19 106.32 3i1t n GLY 26 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 3i1t n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1t s GLY 27 N -2.07 -0.35 -0.57 -0.02 0.00 -1.26 -5.09 107.32 97.96 3i1t s GLY 27 Ca 0.00 0.48 -0.21 0.00 0.00 0.00 0.00 44.72 44.99 3i1t s GLY 27 CO 0.00 0.20 0.79 -0.56 0.00 0.00 0.00 173.10 173.53 3i1t s SER 28 N -1.95 6.23 -0.09 1.64 0.01 -1.26 -4.00 113.70 114.28 3i1t s SER 28 Ca -0.06 -0.92 -0.01 0.00 1.31 0.00 0.00 55.95 56.27 3i1t s SER 28 Cb -0.01 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.87 3i1t s SER 28 CO -0.02 -1.15 0.08 1.57 0.41 0.00 0.00 173.24 174.14 3i1t n HIS 29 N 6.86 -0.19 -0.30 2.43 -0.00 -1.26 -5.06 115.22 117.69 3i1t n HIS 29 Ca -0.05 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.20 3i1t n HIS 29 Cb 0.45 -1.41 0.00 0.00 -0.12 0.00 0.00 29.99 28.91 3i1t n HIS 29 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3i1t n ARG 30 N -0.87 -0.29 0.00 1.57 1.74 -1.26 -5.07 116.66 112.49 3i1t n ARG 30 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1t n ARG 30 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 3i1t n ARG 30 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i1t n ARG 31 N -0.96 0.00 -4.17 5.56 5.12 -1.26 -5.06 116.66 115.88 3i1t n ARG 31 Ca 0.00 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.66 3i1t n ARG 31 Cb 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.23 3i1t n ARG 31 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3i1t s TYR 32 N -0.05 2.93 0.42 -1.55 2.02 -1.26 -4.08 117.35 115.78 3i1t s TYR 32 Ca 0.00 -0.11 0.07 0.00 -0.37 0.00 0.00 57.07 56.67 3i1t s TYR 32 Cb 0.00 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 3i1t s TYR 32 CO 0.00 0.52 0.32 0.00 -1.57 0.00 0.00 175.55 174.82 3i1t s ALA 33 N -1.79 3.93 -0.30 3.71 0.00 -1.26 -4.79 121.76 121.27 3i1t s ALA 33 Ca 0.29 -1.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.15 3i1t s ALA 33 Cb -0.09 -0.80 0.18 0.00 0.00 0.00 0.00 23.12 22.41 3i1t s ALA 33 CO 0.20 -0.22 1.13 0.20 0.00 0.00 0.00 175.76 177.07 3i1t s GLY 34 N -4.07 0.18 0.00 0.00 0.00 -1.26 -1.81 107.32 100.36 3i1t s GLY 34 Ca 0.45 3.42 0.00 0.00 0.00 0.00 0.00 44.72 48.60 3i1t s GLY 34 CO 0.26 3.00 0.00 3.33 0.00 0.00 0.00 173.10 179.69 3i1t n VAL 35 N 4.09 0.00 0.16 1.40 0.24 -1.26 -1.12 118.33 121.85 3i1t n VAL 35 Ca -0.13 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.25 3i1t n VAL 35 Cb 0.55 0.00 0.40 0.00 -1.47 0.00 0.00 33.84 33.33 3i1t n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1t n GLY 36 N 0.00 -0.66 3.79 7.63 0.00 -1.26 -2.26 105.19 112.42 3i1t n GLY 36 Ca 0.00 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3i1t n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1t s ASP 37 N -3.53 5.26 -0.05 1.61 1.01 -0.27 -4.83 116.67 115.87 3i1t s ASP 37 Ca -0.02 1.88 -0.00 0.00 0.71 0.00 0.00 52.55 55.12 3i1t s ASP 37 Cb 0.04 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 3i1t s ASP 37 CO 0.13 -1.52 -0.02 -0.63 0.21 0.00 0.00 175.17 173.35 3i1t s ILE 38 N -2.53 4.11 -0.06 0.77 1.01 -1.26 -1.78 121.20 121.47 3i1t s ILE 38 Ca 0.64 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.89 3i1t s ILE 38 Cb -0.18 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.54 3i1t s ILE 38 CO 0.44 0.52 -0.14 -0.63 0.00 0.00 0.00 174.94 175.13 3i1t s ILE 39 N -0.94 1.22 0.15 2.92 -1.09 0.27 -3.86 121.20 119.87 3i1t s ILE 39 Ca 0.15 -0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 57.72 3i1t s ILE 39 Cb -0.11 -1.09 -0.07 0.00 -1.58 0.00 0.00 42.46 39.61 3i1t s ILE 39 CO 0.05 0.37 1.09 -0.75 -1.23 0.00 0.00 174.94 174.47 3i1t s LYS 40 N 0.45 4.58 0.08 2.79 2.47 -0.93 0.58 119.74 129.76 3i1t s LYS 40 Ca -0.11 1.69 0.02 0.00 -1.56 0.00 0.00 55.97 56.00 3i1t s LYS 40 Cb -0.14 -3.30 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 3i1t s LYS 40 CO 0.03 0.05 -0.07 -1.50 0.16 0.00 0.00 175.35 174.02 3i1t s ILE 41 N -0.02 0.65 -0.24 5.43 1.10 -1.07 -0.59 121.20 126.45 3i1t s ILE 41 Ca 0.50 -1.66 0.00 0.00 -0.51 0.00 0.00 60.65 58.98 3i1t s ILE 41 Cb -0.28 -1.34 0.07 0.00 0.15 0.00 0.00 42.46 41.05 3i1t s ILE 41 CO 0.33 -0.71 -0.01 -0.89 -2.11 0.00 0.00 174.94 171.55 3i1t s THR 42 N -2.90 1.34 -0.06 4.00 2.01 -0.41 -2.86 115.64 116.77 3i1t s THR 42 Ca 0.05 -1.21 -0.33 0.00 0.31 0.00 0.00 61.69 60.51 3i1t s THR 42 Cb 0.00 -1.72 -0.11 0.00 0.01 0.00 0.00 72.50 70.68 3i1t s THR 42 CO -0.03 -0.22 1.91 -0.38 -0.69 0.00 0.00 174.62 175.22 3i1t n ILE 43 N 4.72 0.63 -0.02 1.82 2.08 -0.85 -2.60 119.36 125.14 3i1t n ILE 43 Ca -0.09 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.10 3i1t n ILE 43 Cb 0.44 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 37.34 3i1t n ILE 43 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3i1t n LYS 44 N 6.93 2.57 0.05 0.38 5.02 -0.91 -1.88 118.16 130.32 3i1t n LYS 44 Ca 0.22 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.13 3i1t n LYS 44 Cb 0.32 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 3i1t n LYS 44 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3i1t n GLU 45 N -0.44 0.00 -1.62 1.97 4.07 -0.89 -4.88 120.64 118.84 3i1t n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i1t n GLU 45 Cb 0.23 -0.19 0.00 0.00 -0.06 0.00 0.00 31.44 31.42 3i1t n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i1t n ALA 46 N -3.07 -1.60 -2.72 4.31 0.00 -1.20 -4.77 120.51 111.45 3i1t n ALA 46 Ca 0.00 0.30 -0.37 0.00 0.00 0.00 0.00 53.44 53.37 3i1t n ALA 46 Cb 0.00 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.28 3i1t n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i1t s ILE 47 N -2.42 5.30 0.06 0.00 1.01 -1.26 -4.78 121.20 119.10 3i1t s ILE 47 Ca 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 60.65 61.13 3i1t s ILE 47 Cb 0.00 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.89 3i1t s ILE 47 CO 0.00 0.42 0.48 -0.81 0.00 0.00 0.00 174.94 175.03 3i1t n PRO 48 N 3.34 -0.10 0.00 2.79 -0.04 -1.26 -3.59 135.00 136.14 3i1t n PRO 48 Ca -0.13 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3i1t n PRO 48 Cb 0.52 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 3i1t n PRO 48 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3i1t n ARG 49 N -4.43 0.00 0.00 0.54 1.85 -1.26 -5.02 116.66 108.34 3i1t n ARG 49 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 3i1t n ARG 49 Cb 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.52 3i1t n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i1t n GLY 50 N 3.65 -1.14 0.52 2.89 0.00 -1.24 -4.79 105.19 105.08 3i1t n GLY 50 Ca 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.75 3i1t n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1t n LYS 51 N -0.37 0.15 -4.06 1.61 4.81 -1.26 -5.03 118.16 114.01 3i1t n LYS 51 Ca 0.00 0.06 -0.29 0.00 -0.87 0.00 0.00 58.31 57.20 3i1t n LYS 51 Cb 0.00 -0.88 -0.06 0.00 0.02 0.00 0.00 35.03 34.10 3i1t n LYS 51 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3i1t s VAL 52 N -2.13 4.52 0.19 3.15 -7.23 -1.26 -5.08 120.40 112.56 3i1t s VAL 52 Ca -0.10 -0.84 0.11 0.00 -1.81 0.00 0.00 61.98 59.34 3i1t s VAL 52 Cb 0.03 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 3i1t s VAL 52 CO 0.13 0.07 -0.22 -1.59 -0.31 0.00 0.00 175.10 173.19 3i1t s LYS 53 N -2.55 1.44 -0.21 4.82 -2.85 -1.26 -4.60 119.74 114.53 3i1t s LYS 53 Ca 0.30 -1.49 -0.31 0.00 -1.00 0.00 0.00 55.97 53.46 3i1t s LYS 53 Cb -0.12 -1.68 -0.08 0.00 -2.06 0.00 0.00 37.83 33.90 3i1t s LYS 53 CO 0.22 0.36 2.15 0.36 0.10 0.00 0.00 175.35 178.54 3i1t n LYS 54 N 0.25 1.84 0.00 1.78 0.00 -1.26 -1.93 118.16 118.83 3i1t n LYS 54 Ca -0.12 0.55 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 3i1t n LYS 54 Cb 0.56 -2.93 0.00 0.00 -0.00 0.00 0.00 35.03 32.66 3i1t n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i1t n GLY 55 N 5.69 1.01 3.77 2.58 0.00 -0.79 -5.00 105.19 112.44 3i1t n GLY 55 Ca 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 3i1t n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1t s ASP 56 N -0.65 6.98 -0.59 1.61 1.01 -0.82 -4.83 116.67 119.38 3i1t s ASP 56 Ca 0.00 2.24 0.04 0.00 0.71 0.00 0.00 52.55 55.54 3i1t s ASP 56 Cb 0.00 -2.61 0.15 0.00 1.01 0.00 0.00 42.92 41.47 3i1t s ASP 56 CO 0.00 -0.35 0.38 0.54 0.21 0.00 0.00 175.17 175.96 3i1t s VAL 57 N -1.34 2.35 0.16 -1.27 0.11 -1.26 -2.01 120.40 117.15 3i1t s VAL 57 Ca 0.50 -3.63 0.09 0.00 -2.93 0.00 0.00 61.98 56.01 3i1t s VAL 57 Cb -0.29 -2.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.93 3i1t s VAL 57 CO 0.37 -0.96 -0.20 -0.76 -3.33 0.00 0.00 175.10 170.22 3i1t s LEU 58 N -0.76 2.42 0.78 2.54 1.43 -1.13 -4.85 118.68 119.11 3i1t s LEU 58 Ca 0.23 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 3i1t s LEU 58 Cb -0.12 -0.93 0.06 0.00 0.03 0.00 0.00 46.19 45.24 3i1t s LEU 58 CO -0.10 0.02 1.12 -1.59 0.23 0.00 0.00 176.35 176.03 3i1t s LYS 59 N -2.63 2.19 0.15 1.70 -2.85 -1.26 -2.61 119.74 114.42 3i1t s LYS 59 Ca 0.16 0.41 -0.18 0.00 -1.00 0.00 0.00 55.97 55.36 3i1t s LYS 59 Cb -0.07 -1.95 0.04 0.00 -2.06 0.00 0.00 37.83 33.79 3i1t s LYS 59 CO 0.07 -1.50 0.47 0.00 0.10 0.00 0.00 175.35 174.49 3i1t s ALA 60 N -3.34 -1.05 -0.10 0.59 0.00 0.20 -2.87 121.76 115.19 3i1t s ALA 60 Ca 0.61 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 3i1t s ALA 60 Cb -0.13 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 3i1t s ALA 60 CO 0.52 -0.71 -0.04 0.14 0.00 0.00 0.00 175.76 175.67 3i1t s VAL 61 N -3.81 3.94 0.90 0.00 -7.23 -0.55 0.96 120.40 114.61 3i1t s VAL 61 Ca 0.04 -0.37 -0.10 0.00 -1.81 0.00 0.00 61.98 59.74 3i1t s VAL 61 Cb 0.01 -2.66 0.14 0.00 0.56 0.00 0.00 36.38 34.43 3i1t s VAL 61 CO -0.10 0.57 1.14 -0.69 -0.31 0.00 0.00 175.10 175.71 3i1t s VAL 62 N -0.53 2.23 0.00 1.32 1.01 -0.73 -1.72 120.40 121.97 3i1t s VAL 62 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3i1t s VAL 62 Cb -0.12 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.10 3i1t s VAL 62 CO 0.02 -0.10 0.00 0.52 0.00 0.00 0.00 175.10 175.54 3i1t n VAL 63 N -4.16 0.00 -4.70 2.92 0.31 -0.81 -4.47 118.33 107.43 3i1t n VAL 63 Ca 0.11 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.20 3i1t n VAL 63 Cb 0.52 -0.85 -0.16 0.00 -0.91 0.00 0.00 33.84 32.45 3i1t n VAL 63 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i1t s ARG 64 N -1.92 1.43 0.24 5.55 0.52 -1.17 -4.72 118.95 118.87 3i1t s ARG 64 Ca 0.00 -0.52 0.08 0.00 -0.52 0.00 0.00 55.73 54.77 3i1t s ARG 64 Cb 0.00 -1.29 -0.05 0.00 0.52 0.00 0.00 34.95 34.13 3i1t s ARG 64 CO 0.00 0.24 -0.12 0.95 0.02 0.00 0.00 175.30 176.39 3i1t s THR 65 N -0.05 1.76 -0.86 0.02 -4.23 -1.24 -0.83 115.64 110.21 3i1t s THR 65 Ca -0.01 -2.19 0.27 0.00 -1.18 0.00 0.00 61.69 58.58 3i1t s THR 65 Cb -0.09 -2.22 0.20 0.00 1.34 0.00 0.00 72.50 71.73 3i1t s THR 65 CO 0.01 -0.47 1.73 1.17 -0.54 0.00 0.00 174.62 176.52 3i1t n LYS 66 N -0.48 0.13 -0.03 3.99 4.81 -1.23 -2.80 118.16 122.56 3i1t n LYS 66 Ca -0.07 0.09 -0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3i1t n LYS 66 Cb 0.61 -1.63 -0.14 0.00 0.02 0.00 0.00 35.03 33.90 3i1t n LYS 66 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3i1t n LYS 67 N -1.86 0.66 0.00 1.64 4.81 -1.26 -4.64 118.16 117.51 3i1t n LYS 67 Ca 0.06 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3i1t n LYS 67 Cb 0.39 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.81 3i1t n LYS 67 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1t n GLY 68 N 1.49 0.33 3.31 3.14 0.00 -1.20 -4.75 105.19 107.50 3i1t n GLY 68 Ca -0.17 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 3i1t n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1t s VAL 69 N 0.00 1.37 -0.14 1.61 1.01 -1.16 -4.94 120.40 118.16 3i1t s VAL 69 Ca 0.00 -2.11 -0.06 0.00 0.00 0.00 0.00 61.98 59.81 3i1t s VAL 69 Cb 0.00 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.41 3i1t s VAL 69 CO 0.00 -0.60 0.32 0.00 0.00 0.00 0.00 175.10 174.82 3i1t s ARG 70 N -3.73 0.24 0.00 2.72 1.70 -1.26 -0.96 118.95 117.67 3i1t s ARG 70 Ca 0.21 0.75 0.00 0.00 -0.47 0.00 0.00 55.73 56.23 3i1t s ARG 70 Cb 0.02 0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.41 3i1t s ARG 70 CO 0.05 -0.22 0.00 -2.13 -1.08 0.00 0.00 175.30 171.92 3i1t n ARG 71 N 4.84 0.00 0.00 3.89 3.00 -1.24 -4.86 116.66 122.30 3i1t n ARG 71 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 3i1t n ARG 71 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 3i1t n ARG 71 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3i1t n PRO 72 N 0.00 0.00 0.12 -0.14 -0.02 -1.26 -4.18 135.00 129.52 3i1t n PRO 72 Ca 0.00 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 61.82 3i1t n PRO 72 Cb 0.00 -0.73 0.47 0.00 -0.02 0.00 0.00 33.50 33.22 3i1t n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i1t n ASP 73 N -1.20 0.56 0.00 2.55 5.75 -1.26 -4.82 116.55 118.12 3i1t n ASP 73 Ca 0.00 0.66 0.00 0.00 -0.01 0.00 0.00 54.79 55.44 3i1t n ASP 73 Cb 0.00 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 39.32 3i1t n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i1t n GLY 74 N -0.24 0.75 3.75 6.12 0.00 -1.26 -5.05 105.19 109.26 3i1t n GLY 74 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3i1t n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1t s SER 75 N -2.50 6.50 0.03 1.61 1.04 -1.26 -4.84 113.70 114.28 3i1t s SER 75 Ca 0.00 2.83 0.04 0.00 0.48 0.00 0.00 55.95 59.30 3i1t s SER 75 Cb 0.00 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 3i1t s SER 75 CO 0.00 -0.81 -0.07 -0.69 0.98 0.00 0.00 173.24 172.64 3i1t s VAL 76 N -0.09 3.58 -0.35 5.02 1.01 -1.26 -3.61 120.40 124.70 3i1t s VAL 76 Ca 0.61 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3i1t s VAL 76 Cb -0.45 -2.59 0.10 0.00 0.00 0.00 0.00 36.38 33.44 3i1t s VAL 76 CO 0.47 0.32 0.10 -0.63 0.00 0.00 0.00 175.10 175.35 3i1t s ILE 77 N -1.06 1.71 -0.09 2.22 1.01 -0.13 -5.01 121.20 119.85 3i1t s ILE 77 Ca 0.18 -2.08 0.01 0.00 0.00 0.00 0.00 60.65 58.76 3i1t s ILE 77 Cb -0.11 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 3i1t s ILE 77 CO 0.09 -0.67 -0.11 0.00 0.00 0.00 0.00 174.94 174.26 3i1t s ARG 78 N 1.04 2.99 0.28 2.79 1.70 -1.26 -2.98 118.95 123.51 3i1t s ARG 78 Ca 0.11 -0.63 0.01 0.00 -0.47 0.00 0.00 55.73 54.75 3i1t s ARG 78 Cb -0.19 -2.58 -0.04 0.00 -0.57 0.00 0.00 34.95 31.57 3i1t s ARG 78 CO -0.13 0.45 0.47 -0.06 -1.08 0.00 0.00 175.30 174.95 3i1t s PHE 79 N -0.27 3.48 -1.21 5.89 0.40 -1.12 -5.00 117.98 120.15 3i1t s PHE 79 Ca 0.03 0.28 0.27 0.00 -0.60 0.00 0.00 56.93 56.90 3i1t s PHE 79 Cb -0.13 -1.82 0.91 0.00 0.51 0.00 0.00 43.02 42.50 3i1t s PHE 79 CO 0.03 0.26 1.68 -0.25 0.70 0.00 0.00 175.22 177.64 3i1t n ASP 80 N -1.37 0.38 -4.52 1.36 10.43 -1.26 -3.98 116.55 117.59 3i1t n ASP 80 Ca -0.06 -0.15 -0.25 0.00 2.57 0.00 0.00 54.79 56.90 3i1t n ASP 80 Cb 0.56 -0.06 -0.11 0.00 1.84 0.00 0.00 41.12 43.35 3i1t n ASP 80 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3i1t s GLY 81 N -2.84 2.14 -0.47 0.44 0.00 -1.26 -4.89 107.32 100.45 3i1t s GLY 81 Ca 0.17 -2.07 -0.06 0.00 0.00 0.00 0.00 44.72 42.76 3i1t s GLY 81 CO 0.58 -1.99 0.31 -1.31 0.00 0.00 0.00 173.10 170.69 3i1t s ASN 82 N -3.58 5.49 0.29 1.64 0.01 -1.26 -3.49 114.94 114.05 3i1t s ASN 82 Ca 0.32 -2.08 0.10 0.00 -0.71 0.00 0.00 52.86 50.49 3i1t s ASN 82 Cb 0.04 -1.92 -0.05 0.00 0.41 0.00 0.00 41.25 39.73 3i1t s ASN 82 CO 0.16 -0.60 -0.02 0.00 -1.51 0.00 0.00 177.10 175.13 3i1t s ALA 83 N 1.10 3.13 0.05 0.60 0.00 -0.01 -0.70 121.76 125.93 3i1t s ALA 83 Ca 0.08 -1.78 -0.10 0.00 0.00 0.00 0.00 51.96 50.16 3i1t s ALA 83 Cb -0.24 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.30 3i1t s ALA 83 CO -0.03 0.20 0.22 0.00 0.00 0.00 0.00 175.76 176.15 3i1t s VAL 85 N -2.78 1.89 0.19 0.00 1.01 -0.70 0.25 120.40 120.26 3i1t s VAL 85 Ca -0.03 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 3i1t s VAL 85 Cb -0.00 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.58 3i1t s VAL 85 CO -0.05 0.51 1.11 -0.76 0.00 0.00 0.00 175.10 175.92 3i1t s LEU 86 N 1.21 4.49 0.35 3.92 1.43 -1.26 -1.48 118.68 127.34 3i1t s LEU 86 Ca 0.02 2.13 0.04 0.00 -1.03 0.00 0.00 54.13 55.28 3i1t s LEU 86 Cb -0.14 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 3i1t s LEU 86 CO -0.09 -0.23 0.06 -1.48 0.23 0.00 0.00 176.35 174.84 3i1t s LEU 87 N -0.47 2.23 0.00 1.79 2.34 -1.14 -1.69 118.68 121.75 3i1t s LEU 87 Ca 0.49 -1.42 0.01 0.00 0.06 0.00 0.00 54.13 53.27 3i1t s LEU 87 Cb -0.30 -0.42 0.04 0.00 -0.56 0.00 0.00 46.19 44.95 3i1t s LEU 87 CO 0.36 -0.64 0.35 0.59 -1.06 0.00 0.00 176.35 175.95 3i1t n ASN 88 N -0.80 0.00 0.00 1.48 3.02 0.75 -4.61 115.26 115.10 3i1t n ASN 88 Ca -0.03 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3i1t n ASN 88 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 3i1t n ASN 88 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3i1t n ASN 89 N -0.81 0.00 0.27 6.41 2.85 -1.26 -3.46 115.26 119.26 3i1t n ASN 89 Ca 0.00 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.65 3i1t n ASN 89 Cb 0.00 0.00 0.78 0.00 1.24 0.00 0.00 39.78 41.81 3i1t n ASN 89 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 3i1t h ASN 90 N 0.00 0.00 -0.22 1.20 -1.07 -1.98 -3.06 115.58 110.44 3i1t h ASN 90 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3i1t h ASN 90 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3i1t h ASN 90 CO 0.00 0.00 0.00 -1.20 0.07 0.00 0.00 177.43 176.30 3i1t n SER 91 N -2.95 2.54 0.00 6.14 7.64 -1.22 -5.06 113.62 120.71 3i1t n SER 91 Ca -0.00 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.03 3i1t n SER 91 Cb 0.23 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3i1t n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1t n GLU 92 N 0.40 0.00 0.00 1.43 -0.58 -1.16 -4.79 120.64 115.93 3i1t n GLU 92 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 3i1t n GLU 92 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.23 3i1t n GLU 92 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3i1t n GLN 93 N 7.08 0.00 -1.57 3.49 1.13 -1.26 -0.18 117.38 126.07 3i1t n GLN 93 Ca 0.00 0.00 -0.53 0.00 -1.94 0.00 0.00 57.00 54.53 3i1t n GLN 93 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 3i1t n GLN 93 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3i1t n PRO 94 N 1.35 0.92 0.00 -1.09 -0.04 -1.26 -3.09 135.00 131.79 3i1t n PRO 94 Ca 0.00 0.33 -0.09 0.00 -0.04 0.00 0.00 63.50 63.70 3i1t n PRO 94 Cb 0.00 -1.94 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 3i1t n PRO 94 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3i1t h ILE 95 N 3.23 0.54 -1.18 0.52 2.04 -1.57 -3.44 117.51 117.65 3i1t h ILE 95 Ca -0.48 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3i1t h ILE 95 Cb 1.35 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3i1t h ILE 95 CO 0.75 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.51 3i1t n GLY 96 N -1.32 -3.18 2.67 5.37 0.00 -1.26 -5.02 105.19 102.45 3i1t n GLY 96 Ca -0.03 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 3i1t n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1t n THR 97 N -2.73 0.56 0.00 2.61 -2.24 -1.26 -5.00 114.28 106.22 3i1t n THR 97 Ca 0.00 -2.41 0.00 0.00 -2.27 0.00 0.00 64.05 59.37 3i1t n THR 97 Cb 0.00 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3i1t n THR 97 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i1t n ARG 98 N -0.28 0.00 -3.72 -0.78 0.63 -1.26 -4.98 116.66 106.27 3i1t n ARG 98 Ca 0.04 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.81 3i1t n ARG 98 Cb 0.83 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.58 3i1t n ARG 98 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3i1t s ILE 99 N -2.00 -0.11 -0.94 5.15 1.01 -1.26 -3.55 121.20 119.49 3i1t s ILE 99 Ca 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.92 3i1t s ILE 99 Cb 0.00 -0.20 0.30 0.00 0.01 0.00 0.00 42.46 42.57 3i1t s ILE 99 CO 0.00 0.11 1.33 0.49 0.00 0.00 0.00 174.94 176.88 3i1t n PHE 100 N 4.66 2.73 0.00 3.97 3.01 -0.32 -4.40 117.46 127.10 3i1t n PHE 100 Ca -0.18 -3.01 0.00 0.00 1.01 0.00 0.00 57.45 55.27 3i1t n PHE 100 Cb 0.51 -1.04 0.00 0.00 -0.01 0.00 0.00 39.48 38.93 3i1t n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1t n GLY 101 N 0.93 1.93 3.62 1.37 0.00 -1.26 -4.92 105.19 106.85 3i1t n GLY 101 Ca 0.30 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 3i1t n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i1t n PRO 102 N -0.82 -0.88 0.00 1.61 -0.04 -1.26 -4.32 135.00 129.29 3i1t n PRO 102 Ca 0.00 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 3i1t n PRO 102 Cb 0.00 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 3i1t n PRO 102 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i1t n VAL 103 N -4.40 0.00 0.00 0.52 0.24 -1.26 -4.84 118.33 108.59 3i1t n VAL 103 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 3i1t n VAL 103 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3i1t n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i1t n THR 104 N 0.00 0.00 0.00 3.34 5.66 -0.29 -4.82 114.28 118.17 3i1t n THR 104 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i1t n THR 104 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3i1t n THR 104 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3i1t n ARG 105 N 0.00 0.00 0.15 1.09 0.00 -1.05 -0.28 116.66 116.56 3i1t n ARG 105 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 3i1t n ARG 105 Cb 0.00 -1.50 0.52 0.00 -0.00 0.00 0.00 32.46 31.48 3i1t n ARG 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3i1t h GLU 106 N 0.00 0.00 -0.06 2.89 3.07 -1.93 -2.87 114.58 115.68 3i1t h GLU 106 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i1t h GLU 106 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3i1t h GLU 106 CO 0.00 0.00 0.00 1.47 -1.40 0.00 0.00 179.01 179.08 3i1t n LEU 107 N -2.37 1.84 0.00 1.33 -0.00 0.61 -4.56 117.00 113.85 3i1t n LEU 107 Ca 0.02 -1.58 0.01 0.00 -0.00 0.00 0.00 56.01 54.46 3i1t n LEU 107 Cb 0.24 -0.04 0.07 0.00 -0.00 0.00 0.00 43.42 43.69 3i1t n LEU 107 CO 0.21 0.45 0.23 -2.11 -0.00 0.00 0.00 177.39 176.17 3i1t n ARG 108 N -0.06 0.30 -2.09 1.47 1.85 -1.08 -4.33 116.66 112.71 3i1t n ARG 108 Ca 0.03 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.45 3i1t n ARG 108 Cb 0.21 -1.12 -0.03 0.00 -1.05 0.00 0.00 32.46 30.47 3i1t n ARG 108 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3i1t s SER 109 N -1.77 6.74 0.00 2.89 1.04 -1.26 -4.80 113.70 116.53 3i1t s SER 109 Ca 0.03 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.70 3i1t s SER 109 Cb 0.02 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3i1t s SER 109 CO 0.03 -0.82 0.00 -0.62 0.98 0.00 0.00 173.24 172.81 3i1t n GLU 110 N 5.92 0.00 0.29 4.02 1.02 -1.26 -1.46 120.64 129.16 3i1t n GLU 110 Ca 0.15 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.45 3i1t n GLU 110 Cb 0.43 0.00 0.87 0.00 -0.02 0.00 0.00 31.44 32.71 3i1t n GLU 110 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3i1t h LYS 111 N 0.00 0.00 -0.88 3.49 -0.00 -1.90 -2.31 116.57 114.97 3i1t h LYS 111 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 60.65 60.49 3i1t h LYS 111 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 32.23 32.13 3i1t h LYS 111 CO 0.00 0.06 0.21 1.19 -0.00 0.00 0.00 179.45 180.91 3i1t n PHE 112 N -3.51 1.58 -0.14 0.07 3.01 -0.54 -4.47 117.46 113.47 3i1t n PHE 112 Ca -0.02 -0.90 -0.06 0.00 1.01 0.00 0.00 57.45 57.48 3i1t n PHE 112 Cb 0.18 -0.52 0.03 0.00 -0.01 0.00 0.00 39.48 39.16 3i1t n PHE 112 CO 0.00 0.00 0.00 1.98 1.01 0.00 0.00 176.76 179.75 3i1t h MET 113 N 1.48 0.46 -0.69 -1.08 4.05 -1.61 -2.09 114.93 115.46 3i1t h MET 113 Ca 0.20 -0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.74 3i1t h MET 113 Cb 1.79 -0.10 -0.11 0.00 -0.80 0.00 0.00 31.60 32.38 3i1t h MET 113 CO 0.50 0.31 0.09 -0.22 0.23 0.00 0.00 176.91 177.81 3i1t h LYS 114 N 0.48 0.19 0.04 0.39 1.63 -1.87 0.32 116.57 117.75 3i1t h LYS 114 Ca 0.19 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.01 3i1t h LYS 114 Cb 0.08 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 3i1t h LYS 114 CO -0.12 0.12 -0.28 0.82 -3.45 0.00 0.00 179.45 176.54 3i1t h ILE 115 N 0.19 0.37 0.00 2.00 5.03 -1.73 -1.26 117.51 122.11 3i1t h ILE 115 Ca 0.38 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.12 3i1t h ILE 115 Cb 0.63 0.37 0.00 0.00 -3.03 0.00 0.00 36.82 34.79 3i1t h ILE 115 CO -0.53 0.00 0.00 2.30 -0.68 0.00 0.00 178.15 179.24 3i1t n ILE 116 N -5.39 0.76 -0.07 -0.67 -5.35 -0.56 -1.16 119.36 106.92 3i1t n ILE 116 Ca -0.05 0.15 -0.08 0.00 -0.27 0.00 0.00 62.75 62.50 3i1t n ILE 116 Cb 0.31 -0.93 0.09 0.00 -1.74 0.00 0.00 39.64 37.36 3i1t n ILE 116 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3i1t h SER 117 N 0.00 0.75 -2.98 7.28 0.02 0.77 -3.44 113.55 115.95 3i1t h SER 117 Ca 0.00 -0.29 -0.56 0.00 -0.84 0.00 0.00 61.79 60.10 3i1t h SER 117 Cb 0.37 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3i1t h SER 117 CO 0.00 0.98 0.81 -0.76 -1.14 0.00 0.00 176.83 176.73 3i1t s LEU 118 N -8.81 4.24 0.00 5.07 1.43 -0.31 -4.93 118.68 115.36 3i1t s LEU 118 Ca -0.09 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 3i1t s LEU 118 Cb 0.13 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.80 3i1t s LEU 118 CO 0.83 -0.68 0.00 0.00 0.23 0.00 0.00 176.35 176.73 3i1t n ALA 119 N 5.91 0.00 0.00 4.21 0.00 -1.26 -4.61 120.51 124.76 3i1t n ALA 119 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3i1t n ALA 119 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3i1t n ALA 119 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i1t n PRO 120 N -1.88 0.00 0.00 0.00 -0.02 -1.26 -4.89 135.00 126.95 3i1t n PRO 120 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i1t n PRO 120 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i1t n PRO 120 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i1t n GLU 121 N 0.00 0.00 0.00 -0.52 1.02 -1.26 -4.96 120.64 114.92 3i1t n GLU 121 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i1t n GLU 121 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i1t n GLU 121 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59