#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n LYS 2 N 0.00 3.28 -0.32 0.00 5.02 -1.26 -5.18 118.16 119.70 3i1t n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i1t n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i1t n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i1t n LYS 3 N 0.00 1.42 -3.58 1.97 5.02 -1.26 -5.15 118.16 116.59 3i1t n LYS 3 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 3i1t n LYS 3 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3i1t n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1t s VAL 4 N 0.75 0.00 -0.04 -0.18 0.11 -1.26 -5.07 120.40 114.71 3i1t s VAL 4 Ca 0.00 -0.16 0.07 0.00 -2.93 0.00 0.00 61.98 58.96 3i1t s VAL 4 Cb 0.00 -1.29 0.12 0.00 -1.53 0.00 0.00 36.38 33.68 3i1t s VAL 4 CO 0.00 0.00 1.06 0.00 -3.33 0.00 0.00 175.10 172.83 3i1t n GLN 5 N -0.29 0.40 -3.22 1.54 6.02 -1.26 -5.03 117.38 115.54 3i1t n GLN 5 Ca -0.07 -1.58 -0.15 0.00 -0.01 0.00 0.00 57.00 55.19 3i1t n GLN 5 Cb 0.61 -0.78 0.07 0.00 1.02 0.00 0.00 30.24 31.17 3i1t n GLN 5 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i1t n ALA 6 N -0.40 -1.51 -2.01 -1.58 0.00 -1.26 -5.04 120.51 108.71 3i1t n ALA 6 Ca 0.05 0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 3i1t n ALA 6 Cb 0.71 -2.66 0.01 0.00 0.00 0.00 0.00 19.45 17.51 3i1t n ALA 6 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3i1t s TYR 7 N -3.29 2.80 0.47 0.00 -0.85 -1.26 -5.13 117.35 110.09 3i1t s TYR 7 Ca 0.11 -0.40 0.03 0.00 -0.52 0.00 0.00 57.07 56.29 3i1t s TYR 7 Cb -0.05 -2.38 0.09 0.00 0.38 0.00 0.00 41.96 40.00 3i1t s TYR 7 CO 0.60 -0.43 0.65 1.33 -1.52 0.00 0.00 175.55 176.18 3i1t n VAL 8 N -1.85 0.00 -2.80 -3.49 0.24 -1.26 -5.12 118.33 104.05 3i1t n VAL 8 Ca 0.08 -1.26 0.03 0.00 -2.04 0.00 0.00 64.34 61.15 3i1t n VAL 8 Cb 0.59 -0.85 0.01 0.00 -1.47 0.00 0.00 33.84 32.12 3i1t n VAL 8 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3i1t s LYS 9 N -4.13 0.06 0.00 7.34 -2.85 -1.26 -4.88 119.74 114.02 3i1t s LYS 9 Ca 0.46 -0.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 3i1t s LYS 9 Cb -0.03 0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 3i1t s LYS 9 CO 0.30 -0.08 0.00 1.28 0.10 0.00 0.00 175.35 176.94 3i1t n LEU 10 N 3.90 0.00 -3.32 2.77 4.77 -1.26 -5.08 117.00 118.78 3i1t n LEU 10 Ca 0.06 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 3i1t n LEU 10 Cb 0.63 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 3i1t n LEU 10 CO -0.15 0.00 0.61 0.00 -1.33 0.00 0.00 177.39 176.52 3i1t s GLN 11 N 2.93 0.27 0.15 3.23 -2.07 -1.26 -4.71 119.66 118.20 3i1t s GLN 11 Ca 0.00 0.62 -0.09 0.00 -1.82 0.00 0.00 55.36 54.07 3i1t s GLN 11 Cb 0.00 0.37 -0.01 0.00 -1.09 0.00 0.00 33.01 32.28 3i1t s GLN 11 CO 0.00 -0.14 0.26 0.08 -1.32 0.00 0.00 175.29 174.17 3i1t s VAL 12 N 2.54 0.08 -0.06 3.63 1.01 -1.26 -5.12 120.40 121.22 3i1t s VAL 12 Ca -0.01 -1.36 -0.37 0.00 0.00 0.00 0.00 61.98 60.25 3i1t s VAL 12 Cb -0.07 -1.75 -0.15 0.00 0.00 0.00 0.00 36.38 34.42 3i1t s VAL 12 CO -0.16 -0.37 1.65 0.00 0.00 0.00 0.00 175.10 176.22 3i1t n ALA 13 N -0.18 0.18 0.45 5.51 0.00 -1.26 -4.67 120.51 120.53 3i1t n ALA 13 Ca -0.09 0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.79 3i1t n ALA 13 Cb 0.63 -2.28 0.22 0.00 0.00 0.00 0.00 19.45 18.02 3i1t n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 14 N 4.65 1.69 -0.05 0.00 0.00 -1.26 -2.21 120.51 123.33 3i1t n ALA 14 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3i1t n ALA 14 Cb 0.22 -1.13 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 3i1t n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 15 N -0.54 -0.82 3.40 0.00 0.00 -1.26 -4.77 105.19 101.19 3i1t n GLY 15 Ca 0.05 -0.35 -0.45 0.00 0.00 0.00 0.00 46.02 45.27 3i1t n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i1t s MET 16 N -2.82 4.00 -0.12 1.61 0.00 -0.94 -4.77 119.30 116.25 3i1t s MET 16 Ca -0.07 -2.70 -0.09 0.00 0.00 0.00 0.00 55.69 52.83 3i1t s MET 16 Cb 0.08 -4.77 -0.06 0.00 0.00 0.00 0.00 34.83 30.09 3i1t s MET 16 CO 0.71 -1.50 -0.20 0.00 0.00 0.00 0.00 175.02 174.03 3i1t n ALA 17 N 4.42 1.94 -0.33 4.11 0.00 -1.26 -4.67 120.51 124.72 3i1t n ALA 17 Ca 0.27 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 53.13 3i1t n ALA 17 Cb 0.43 0.24 0.03 0.00 0.00 0.00 0.00 19.45 20.15 3i1t n ALA 17 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3i1t h ASN 18 N -0.56 -1.35 -0.83 0.00 -1.24 -2.00 -3.41 115.58 106.20 3i1t h ASN 18 Ca -0.26 0.29 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 3i1t h ASN 18 Cb 1.08 0.70 0.00 0.00 0.73 0.00 0.00 38.32 40.83 3i1t h ASN 18 CO -0.16 -0.29 -0.00 -2.65 -1.29 0.00 0.00 177.43 173.04 3i1t n PRO 19 N -5.46 -1.31 -0.02 6.67 -0.02 -1.26 -4.99 135.00 128.60 3i1t n PRO 19 Ca 0.09 -0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.35 3i1t n PRO 19 Cb 0.39 -0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.73 3i1t n PRO 19 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i1t n SER 20 N -2.48 2.09 -0.33 2.55 2.88 -1.26 -4.42 113.62 112.65 3i1t n SER 20 Ca 0.00 0.21 0.09 0.00 -1.33 0.00 0.00 58.87 57.84 3i1t n SER 20 Cb 0.00 -0.85 0.25 0.00 -0.75 0.00 0.00 64.21 62.87 3i1t n SER 20 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3i1t h PRO 21 N -0.06 0.73 0.00 -1.46 0.11 -1.94 -3.39 132.00 125.99 3i1t h PRO 21 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i1t h PRO 21 Cb 1.94 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.89 3i1t h PRO 21 CO 0.04 0.48 0.00 -0.35 -0.21 0.00 0.00 178.00 177.96 3i1t n PRO 22 N -4.78 0.00 0.00 1.05 -0.04 -1.26 -4.86 135.00 125.11 3i1t n PRO 22 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3i1t n PRO 22 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 3i1t n PRO 22 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i1t n VAL 23 N 0.00 0.00 0.00 0.52 0.24 -1.26 -4.34 118.33 113.49 3i1t n VAL 23 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1t n VAL 23 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i1t n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1t n GLY 24 N 3.14 1.22 0.00 7.63 0.00 -1.26 -2.90 105.19 113.01 3i1t n GLY 24 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3i1t n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i1t n PRO 25 N 0.00 0.00 -0.03 1.61 -0.02 -1.26 0.12 135.00 135.42 3i1t n PRO 25 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 3i1t n PRO 25 Cb 0.00 -1.45 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 3i1t n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1t n ALA 26 N -0.91 0.28 -0.01 3.55 0.00 -1.14 -4.55 120.51 117.72 3i1t n ALA 26 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.10 3i1t n ALA 26 Cb 0.00 0.01 0.24 0.00 0.00 0.00 0.00 19.45 19.70 3i1t n ALA 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i1t n LEU 27 N -3.23 3.60 0.00 0.00 -0.00 -1.16 -4.82 117.00 111.39 3i1t n LEU 27 Ca -0.04 -1.82 0.00 0.00 -0.00 0.00 0.00 56.01 54.15 3i1t n LEU 27 Cb 0.17 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 3i1t n LEU 27 CO 0.07 0.52 0.00 0.61 -0.00 0.00 0.00 177.39 178.58 3i1t n GLY 28 N 0.60 -0.39 0.00 1.47 0.00 0.12 -4.56 105.19 102.42 3i1t n GLY 28 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3i1t n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1t n GLN 29 N 0.00 0.00 0.00 1.61 1.13 -1.26 -3.67 117.38 115.19 3i1t n GLN 29 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3i1t n GLN 29 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3i1t n GLN 29 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i1t n GLN 30 N 0.00 0.00 0.00 -1.09 -0.00 -1.26 -5.05 117.38 109.97 3i1t n GLN 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3i1t n GLN 30 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 3i1t n GLN 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i1t n GLY 31 N 0.00 -1.65 2.74 2.61 0.00 -1.24 -5.11 105.19 102.54 3i1t n GLY 31 Ca 0.00 0.73 -0.18 0.00 0.00 0.00 0.00 46.02 46.57 3i1t n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1t s VAL 32 N 0.00 0.01 -0.14 1.61 1.01 -1.26 -4.52 120.40 117.11 3i1t s VAL 32 Ca 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 3i1t s VAL 32 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 3i1t s VAL 32 CO 0.00 0.15 -0.09 0.20 0.00 0.00 0.00 175.10 175.36 3i1t s ASN 33 N 1.55 4.38 -0.51 3.32 0.01 -1.26 -4.92 114.94 117.52 3i1t s ASN 33 Ca -0.03 -0.23 -0.25 0.00 -0.71 0.00 0.00 52.86 51.65 3i1t s ASN 33 Cb -0.13 -1.66 0.03 0.00 0.41 0.00 0.00 41.25 39.91 3i1t s ASN 33 CO -0.03 0.18 0.95 -0.63 -1.51 0.00 0.00 177.10 176.06 3i1t s ILE 34 N 0.29 4.40 0.00 0.60 -1.09 -1.26 -4.48 121.20 119.66 3i1t s ILE 34 Ca -0.07 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.91 3i1t s ILE 34 Cb -0.15 -4.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.23 3i1t s ILE 34 CO 0.04 -1.00 0.00 0.80 -1.23 0.00 0.00 174.94 173.56 3i1t n MET 35 N 7.40 0.00 0.00 2.79 1.56 -1.26 -4.89 117.12 122.72 3i1t n MET 35 Ca 0.04 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.56 3i1t n MET 35 Cb 0.48 0.00 0.53 0.00 2.15 0.00 0.00 33.22 36.38 3i1t n MET 35 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 3i1t n GLU 36 N 0.00 0.78 0.24 2.12 0.00 -1.26 -1.75 120.64 120.77 3i1t n GLU 36 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 3i1t n GLU 36 Cb 0.00 -1.36 0.41 0.00 0.00 0.00 0.00 31.44 30.49 3i1t n GLU 36 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3i1t h PHE 37 N 0.00 0.00 0.00 -1.84 3.57 -1.90 -2.57 116.94 114.20 3i1t h PHE 37 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i1t h PHE 37 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3i1t h PHE 37 CO 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 3i1t n LYS 39 N 0.00 0.00 0.00 0.00 5.02 -0.72 -4.27 118.16 118.19 3i1t n LYS 39 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 3i1t n LYS 39 Cb 0.15 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 35.60 3i1t n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1t n ALA 40 N -1.61 1.93 0.32 7.82 0.00 -1.25 -2.16 120.51 125.56 3i1t n ALA 40 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.48 3i1t n ALA 40 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 3i1t n ALA 40 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i1t n PHE 41 N -1.41 0.29 1.00 0.00 7.35 -0.97 -3.72 117.46 120.01 3i1t n PHE 41 Ca 0.06 0.09 0.13 0.00 -0.76 0.00 0.00 57.45 56.97 3i1t n PHE 41 Cb 0.19 -0.52 0.41 0.00 0.35 0.00 0.00 39.48 39.91 3i1t n PHE 41 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3i1t n ASN 42 N -2.16 0.29 0.15 -2.13 2.85 -0.92 -2.22 115.26 111.12 3i1t n ASN 42 Ca -0.00 0.07 0.08 0.00 -0.11 0.00 0.00 54.58 54.61 3i1t n ASN 42 Cb 0.49 -0.07 0.07 0.00 1.24 0.00 0.00 39.78 41.51 3i1t n ASN 42 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i1t h ALA 43 N 3.00 0.76 0.00 5.20 0.00 -1.63 -2.41 119.26 124.19 3i1t h ALA 43 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3i1t h ALA 43 Cb 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3i1t h ALA 43 CO 0.00 0.28 -0.77 -0.22 0.00 0.00 0.00 179.25 178.54 3i1t h LYS 44 N 0.00 0.00 0.00 0.00 3.11 -1.60 -1.79 116.57 116.28 3i1t h LYS 44 Ca -0.02 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.76 3i1t h LYS 44 Cb 1.17 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.39 3i1t h LYS 44 CO 0.02 0.77 -0.27 1.15 -2.81 0.00 0.00 179.45 178.31 3i1t h THR 45 N 0.00 0.99 0.00 1.00 2.02 -1.31 -2.74 112.91 112.87 3i1t h THR 45 Ca -0.01 -0.99 -0.20 0.00 0.77 0.00 0.00 66.41 65.98 3i1t h THR 45 Cb 1.54 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 69.48 3i1t h THR 45 CO 0.10 0.26 -1.07 0.44 0.37 0.00 0.00 175.52 175.62 3i1t h ASP 46 N 0.00 0.00 -0.75 4.18 3.32 -1.16 -3.04 116.42 118.97 3i1t h ASP 46 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 3i1t h ASP 46 Cb 0.55 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.90 3i1t h ASP 46 CO 0.03 0.88 0.41 -1.20 -1.72 0.00 0.00 179.24 177.65 3i1t n SER 47 N -3.24 3.98 0.00 6.45 7.64 -0.70 -4.33 113.62 123.42 3i1t n SER 47 Ca -0.03 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 56.63 3i1t n SER 47 Cb 0.92 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3i1t n SER 47 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3i1t n ILE 48 N -0.53 0.00 -3.64 0.44 -5.35 -1.08 -4.99 119.36 104.21 3i1t n ILE 48 Ca 0.44 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.80 3i1t n ILE 48 Cb 1.38 -0.51 -0.07 0.00 -1.74 0.00 0.00 39.64 38.70 3i1t n ILE 48 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3i1t s GLU 49 N -1.86 0.76 -0.67 6.28 -1.05 -1.15 -5.10 118.70 115.91 3i1t s GLU 49 Ca 0.00 1.02 0.06 0.00 -0.15 0.00 0.00 54.97 55.90 3i1t s GLU 49 Cb 0.00 0.30 0.21 0.00 -0.44 0.00 0.00 34.13 34.21 3i1t s GLU 49 CO 0.00 -0.11 0.63 1.63 0.95 0.00 0.00 175.26 178.35 3i1t n LYS 50 N 3.22 2.17 0.00 -4.83 4.76 -1.26 -4.50 118.16 117.71 3i1t n LYS 50 Ca -0.16 -4.57 0.00 0.00 -2.87 0.00 0.00 58.31 50.71 3i1t n LYS 50 Cb 0.56 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.49 3i1t n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1t n GLY 51 N 1.39 -1.15 0.00 0.72 0.00 -1.26 -5.17 105.19 99.72 3i1t n GLY 51 Ca 0.25 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.65 3i1t n GLY 51 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i1t n LEU 52 N 0.00 0.00 -4.56 0.99 7.94 -1.26 -5.14 117.00 114.96 3i1t n LEU 52 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 3i1t n LEU 52 Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 3i1t n LEU 52 CO 0.00 0.00 0.40 -2.65 -1.11 0.00 0.00 177.39 174.03 3i1t n PRO 53 N -1.04 0.95 -4.85 1.96 -0.02 -1.26 -4.97 135.00 125.77 3i1t n PRO 53 Ca 0.00 0.35 -0.32 0.00 -2.02 0.00 0.00 63.50 61.51 3i1t n PRO 53 Cb 0.00 -1.94 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 3i1t n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i1t s ILE 54 N -1.46 2.26 1.19 4.25 1.09 -1.26 -4.70 121.20 122.56 3i1t s ILE 54 Ca 0.68 -0.93 -0.13 0.00 -1.10 0.00 0.00 60.65 59.17 3i1t s ILE 54 Cb -0.50 -1.90 0.29 0.00 -1.06 0.00 0.00 42.46 39.29 3i1t s ILE 54 CO 0.54 0.54 0.97 -0.81 -0.10 0.00 0.00 174.94 176.08 3i1t n PRO 55 N 3.82 -2.52 -3.96 2.79 -0.04 -1.26 -4.87 135.00 128.95 3i1t n PRO 55 Ca -0.19 -0.71 -0.10 0.00 -0.04 0.00 0.00 63.50 62.46 3i1t n PRO 55 Cb 0.52 -2.14 -0.11 0.00 -0.04 0.00 0.00 33.50 31.73 3i1t n PRO 55 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i1t s VAL 56 N -2.39 0.09 0.04 0.52 0.11 -1.26 -4.88 120.40 112.63 3i1t s VAL 56 Ca 0.68 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 3i1t s VAL 56 Cb -0.25 -0.22 -0.00 0.00 -1.53 0.00 0.00 36.38 34.38 3i1t s VAL 56 CO 0.65 -0.42 0.01 0.52 -3.33 0.00 0.00 175.10 172.53 3i1t n VAL 57 N 1.84 0.00 0.00 2.04 0.31 -1.26 -4.60 118.33 116.65 3i1t n VAL 57 Ca -0.22 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3i1t n VAL 57 Cb 0.56 0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 3i1t n VAL 57 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i1t n ILE 58 N -0.08 0.00 -3.70 2.52 5.41 -1.26 -4.88 119.36 117.36 3i1t n ILE 58 Ca -0.01 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.59 3i1t n ILE 58 Cb 0.05 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.83 3i1t n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3i1t s THR 59 N 0.00 -0.16 0.13 1.39 2.01 -1.26 -4.81 115.64 112.93 3i1t s THR 59 Ca 0.00 0.28 -0.31 0.00 0.31 0.00 0.00 61.69 61.97 3i1t s THR 59 Cb 0.00 -0.26 -0.10 0.00 0.01 0.00 0.00 72.50 72.14 3i1t s THR 59 CO 0.00 0.12 1.84 -0.69 -0.69 0.00 0.00 174.62 175.20 3i1t s VAL 60 N 1.79 2.50 0.00 3.82 1.01 -1.26 -4.22 120.40 124.04 3i1t s VAL 60 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3i1t s VAL 60 Cb -0.12 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3i1t s VAL 60 CO -0.06 -0.00 0.00 -1.22 0.00 0.00 0.00 175.10 173.82 3i1t n TYR 61 N 5.70 0.00 0.00 5.22 4.01 -1.22 -5.08 117.16 125.79 3i1t n TYR 61 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 3i1t n TYR 61 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 3i1t n TYR 61 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i1t n ALA 62 N -3.00 0.00 -4.04 -0.72 0.00 -1.26 -4.94 120.51 106.54 3i1t n ALA 62 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3i1t n ALA 62 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3i1t n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i1t s ASP 63 N -1.25 4.63 -0.57 0.00 1.01 -1.26 -4.82 116.67 114.40 3i1t s ASP 63 Ca 0.00 -1.83 -0.04 0.00 0.71 0.00 0.00 52.55 51.39 3i1t s ASP 63 Cb 0.00 -1.59 0.01 0.00 1.01 0.00 0.00 42.92 42.34 3i1t s ASP 63 CO 0.00 -0.30 0.60 0.54 0.21 0.00 0.00 175.17 176.22 3i1t n ARG 64 N 4.33 -1.47 -3.40 8.23 1.74 -1.26 -5.06 116.66 119.77 3i1t n ARG 64 Ca -0.04 1.56 0.02 0.00 -0.77 0.00 0.00 57.85 58.62 3i1t n ARG 64 Cb 0.42 -5.28 -0.03 0.00 -1.02 0.00 0.00 32.46 26.55 3i1t n ARG 64 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i1t s SER 65 N -2.75 -0.77 -0.07 0.55 0.15 -1.26 -5.11 113.70 104.44 3i1t s SER 65 Ca 0.07 0.92 0.01 0.00 0.70 0.00 0.00 55.95 57.64 3i1t s SER 65 Cb -0.02 1.82 0.02 0.00 -1.71 0.00 0.00 66.02 66.13 3i1t s SER 65 CO 0.67 -0.15 -0.08 -0.36 1.20 0.00 0.00 173.24 174.53 3i1t s PHE 66 N 2.65 1.24 -0.13 3.44 0.40 -1.26 -3.37 117.98 120.94 3i1t s PHE 66 Ca -0.01 -0.49 -0.06 0.00 -0.60 0.00 0.00 56.93 55.78 3i1t s PHE 66 Cb -0.09 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 3i1t s PHE 66 CO -0.17 -0.33 0.08 0.99 0.70 0.00 0.00 175.22 176.49 3i1t s THR 67 N 1.13 4.99 0.46 0.64 2.01 -1.26 -4.82 115.64 118.78 3i1t s THR 67 Ca -0.07 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.01 3i1t s THR 67 Cb -0.14 -3.18 0.06 0.00 0.01 0.00 0.00 72.50 69.25 3i1t s THR 67 CO -0.01 0.57 0.46 0.49 -0.69 0.00 0.00 174.62 175.44 3i1t n PHE 68 N 2.47 -1.38 -2.73 4.92 3.72 -1.26 -4.08 117.46 119.12 3i1t n PHE 68 Ca -0.19 -1.85 -0.07 0.00 -0.05 0.00 0.00 57.45 55.29 3i1t n PHE 68 Cb 0.54 -0.40 0.05 0.00 -0.94 0.00 0.00 39.48 38.73 3i1t n PHE 68 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3i1t n VAL 69 N -1.74 0.00 -2.21 -4.37 3.14 -1.26 -5.03 118.33 106.86 3i1t n VAL 69 Ca 0.04 -1.22 -0.42 0.00 -2.96 0.00 0.00 64.34 59.78 3i1t n VAL 69 Cb 0.51 1.32 -0.03 0.00 -1.06 0.00 0.00 33.84 34.58 3i1t n VAL 69 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3i1t s THR 70 N 0.61 3.26 0.00 1.55 2.01 -1.26 -4.99 115.64 116.82 3i1t s THR 70 Ca 0.30 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.29 3i1t s THR 70 Cb 0.19 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 69.07 3i1t s THR 70 CO -0.19 0.12 0.00 2.29 -0.69 0.00 0.00 174.62 176.15 3i1t n LYS 71 N 3.11 0.00 -4.56 4.92 2.85 -1.26 -5.09 118.16 118.13 3i1t n LYS 71 Ca 0.08 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.01 3i1t n LYS 71 Cb 0.43 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.65 3i1t n LYS 71 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 3i1t s THR 72 N 3.35 2.20 0.82 0.58 -1.32 -1.26 -4.85 115.64 115.17 3i1t s THR 72 Ca 0.00 -0.93 -0.14 0.00 -1.21 0.00 0.00 61.69 59.42 3i1t s THR 72 Cb 0.00 -1.90 0.06 0.00 -1.51 0.00 0.00 72.50 69.15 3i1t s THR 72 CO 0.00 0.54 0.95 -0.81 -2.21 0.00 0.00 174.62 173.09 3i1t n PRO 73 N 4.15 0.09 -1.66 7.08 -0.04 -1.26 -4.84 135.00 138.51 3i1t n PRO 73 Ca -0.20 0.10 -0.49 0.00 -0.04 0.00 0.00 63.50 62.87 3i1t n PRO 73 Cb 0.51 -2.23 -0.05 0.00 -0.04 0.00 0.00 33.50 31.69 3i1t n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3i1t n PRO 74 N -2.64 1.84 -0.01 0.54 -0.02 -1.26 -4.85 135.00 128.60 3i1t n PRO 74 Ca 0.12 0.67 0.13 0.00 -2.02 0.00 0.00 63.50 62.40 3i1t n PRO 74 Cb 0.51 -2.42 0.66 0.00 -0.02 0.00 0.00 33.50 32.23 3i1t n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1t n ALA 75 N 4.28 2.61 0.04 3.55 0.00 -1.26 -3.13 120.51 126.60 3i1t n ALA 75 Ca 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 3i1t n ALA 75 Cb 0.25 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.32 3i1t n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t h ALA 76 N 4.02 0.66 -0.53 0.00 0.00 -1.89 -3.32 119.26 118.20 3i1t h ALA 76 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3i1t h ALA 76 Cb 0.22 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i1t h ALA 76 CO 0.00 1.00 0.00 1.33 0.00 0.00 0.00 179.25 181.58 3i1t n VAL 77 N -2.99 0.72 0.03 0.00 0.24 -1.18 -4.34 118.33 110.80 3i1t n VAL 77 Ca -0.08 -0.86 -0.17 0.00 -2.04 0.00 0.00 64.34 61.18 3i1t n VAL 77 Cb 0.87 0.78 -0.14 0.00 -1.47 0.00 0.00 33.84 33.87 3i1t n VAL 77 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3i1t h LEU 78 N 4.35 0.36 -0.93 1.34 3.38 -1.65 -3.33 115.31 118.82 3i1t h LEU 78 Ca 0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3i1t h LEU 78 Cb 0.98 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3i1t h LEU 78 CO 0.00 1.53 0.00 0.18 0.09 0.00 0.00 178.44 180.24 3i1t n LEU 79 N -3.41 0.63 -0.10 1.67 4.77 -1.26 -3.00 117.00 116.30 3i1t n LEU 79 Ca -0.22 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3i1t n LEU 79 Cb 1.05 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 3i1t n LEU 79 CO 0.47 0.16 0.47 0.29 -1.33 0.00 0.00 177.39 177.45 3i1t n LYS 80 N 0.12 1.04 -1.18 3.23 5.02 -1.25 -3.21 118.16 121.92 3i1t n LYS 80 Ca 0.00 -0.05 -0.01 0.00 -2.02 0.00 0.00 58.31 56.23 3i1t n LYS 80 Cb 0.16 -1.08 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 3i1t n LYS 80 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3i1t n LYS 81 N -0.39 0.00 -0.30 1.97 2.85 -1.16 -4.15 118.16 116.98 3i1t n LYS 81 Ca 0.00 -1.43 0.07 0.00 -1.05 0.00 0.00 58.31 55.91 3i1t n LYS 81 Cb 0.05 0.17 0.22 0.00 -0.65 0.00 0.00 35.03 34.81 3i1t n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1t n ALA 82 N 0.24 2.43 0.03 0.58 0.00 -1.20 -4.77 120.51 117.83 3i1t n ALA 82 Ca -0.08 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 51.97 3i1t n ALA 82 Cb 0.90 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3i1t n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 83 N 0.60 0.01 0.00 0.00 0.00 -1.26 -4.46 120.51 115.41 3i1t n ALA 83 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3i1t n ALA 83 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3i1t n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 84 N -1.49 -0.21 3.75 0.00 0.00 -1.26 -5.12 105.19 100.87 3i1t n GLY 84 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1t n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i1t s ILE 85 N 0.00 2.31 -1.46 -0.61 -4.36 -1.26 -4.89 121.20 110.93 3i1t s ILE 85 Ca 0.00 0.27 -0.12 0.00 -0.26 0.00 0.00 60.65 60.54 3i1t s ILE 85 Cb 0.00 -3.17 0.04 0.00 1.25 0.00 0.00 42.46 40.58 3i1t s ILE 85 CO 0.00 0.05 2.31 1.17 0.24 0.00 0.00 174.94 178.71 3i1t n LYS 86 N 1.96 3.20 0.00 0.37 4.81 -1.26 -4.59 118.16 122.65 3i1t n LYS 86 Ca 0.06 -2.72 0.00 0.00 -0.87 0.00 0.00 58.31 54.79 3i1t n LYS 86 Cb 0.39 -3.12 0.00 0.00 0.02 0.00 0.00 35.03 32.32 3i1t n LYS 86 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3i1t n SER 87 N 5.10 -0.09 -4.58 3.14 7.64 -1.26 -4.92 113.62 118.64 3i1t n SER 87 Ca 0.55 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 60.07 3i1t n SER 87 Cb 0.35 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.63 3i1t n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1t n GLY 88 N 0.00 -0.67 0.00 0.23 0.00 -1.26 -4.93 105.19 98.57 3i1t n GLY 88 Ca 0.00 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.83 3i1t n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1t n SER 89 N -1.17 0.76 0.00 1.61 3.41 -1.26 -4.98 113.62 111.99 3i1t n SER 89 Ca 0.13 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 3i1t n SER 89 Cb 0.49 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 3i1t n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1t n GLY 90 N 1.48 1.50 3.63 5.00 0.00 -1.26 -4.91 105.19 110.63 3i1t n GLY 90 Ca 0.04 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3i1t n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t s LYS 91 N 0.00 3.96 -1.20 1.61 1.02 -1.26 -4.96 119.74 118.91 3i1t s LYS 91 Ca 0.00 0.90 -0.22 0.00 0.02 0.00 0.00 55.97 56.67 3i1t s LYS 91 Cb 0.00 -3.79 -0.06 0.00 -0.52 0.00 0.00 37.83 33.46 3i1t s LYS 91 CO 0.00 -1.03 1.90 -2.14 -0.92 0.00 0.00 175.35 173.16 3i1t s PRO 92 N 3.85 2.75 -0.00 -1.68 0.02 -1.26 -3.92 135.00 134.76 3i1t s PRO 92 Ca 0.45 -1.29 0.00 0.00 0.02 0.00 0.00 61.00 60.18 3i1t s PRO 92 Cb -0.11 -5.29 0.00 0.00 0.02 0.00 0.00 34.50 29.12 3i1t s PRO 92 CO 0.20 -3.68 0.00 -1.71 -0.33 0.00 0.00 177.00 171.48 3i1t n ASN 93 N 13.36 -3.12 -0.10 2.53 4.05 -1.26 -4.88 115.26 125.83 3i1t n ASN 93 Ca 0.45 0.00 -0.06 0.00 0.45 0.00 0.00 54.58 55.42 3i1t n ASN 93 Cb 0.46 -0.63 0.12 0.00 1.23 0.00 0.00 39.78 40.97 3i1t n ASN 93 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 3i1t h LYS 94 N 0.91 0.80 0.00 1.20 1.57 -1.96 -3.45 116.57 115.65 3i1t h LYS 94 Ca -0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3i1t h LYS 94 Cb 0.04 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3i1t h LYS 94 CO 0.00 0.87 0.00 -3.47 -0.57 0.00 0.00 179.45 176.28 3i1t n ASP 95 N -4.16 0.41 -1.24 0.86 2.03 -1.26 -5.05 116.55 108.13 3i1t n ASP 95 Ca 0.01 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.33 3i1t n ASP 95 Cb 0.37 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.88 3i1t n ASP 95 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3i1t n LYS 96 N 0.00 1.46 -0.33 -0.67 3.00 -1.26 -4.87 118.16 115.49 3i1t n LYS 96 Ca 0.00 -3.09 0.17 0.00 -0.00 0.00 0.00 58.31 55.39 3i1t n LYS 96 Cb 0.00 -1.27 0.41 0.00 0.00 0.00 0.00 35.03 34.17 3i1t n LYS 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i1t h VAL 97 N 3.21 0.62 -2.19 3.15 2.07 -1.96 -3.42 116.25 117.74 3i1t h VAL 97 Ca -0.02 -0.20 -0.58 0.00 0.82 0.00 0.00 66.70 66.72 3i1t h VAL 97 Cb 1.35 -0.01 0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3i1t h VAL 97 CO 0.16 0.11 1.07 0.61 0.02 0.00 0.00 177.57 179.53 3i1t n GLY 98 N -1.39 1.50 2.60 2.17 0.00 -1.09 -4.96 105.19 104.02 3i1t n GLY 98 Ca 0.24 0.80 -0.25 0.00 0.00 0.00 0.00 46.02 46.81 3i1t n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t s LYS 99 N 3.38 0.34 -0.09 1.61 -0.14 -1.26 -4.47 119.74 119.11 3i1t s LYS 99 Ca 0.88 -0.62 0.04 0.00 -1.36 0.00 0.00 55.97 54.91 3i1t s LYS 99 Cb -0.62 -1.01 -0.00 0.00 -1.68 0.00 0.00 37.83 34.52 3i1t s LYS 99 CO 0.46 -1.08 -0.24 0.42 -0.76 0.00 0.00 175.35 174.15 3i1t s ILE 100 N 1.90 2.07 0.31 2.17 -1.09 -1.26 -4.01 121.20 121.29 3i1t s ILE 100 Ca 0.12 -1.02 -0.29 0.00 -2.23 0.00 0.00 60.65 57.22 3i1t s ILE 100 Cb -0.17 -1.78 -0.10 0.00 -1.58 0.00 0.00 42.46 38.83 3i1t s ILE 100 CO -0.25 0.56 1.29 -0.94 -1.23 0.00 0.00 174.94 174.37 3i1t s SER 101 N 0.25 6.83 0.36 3.58 1.04 -1.26 -4.77 113.70 119.72 3i1t s SER 101 Ca -0.16 2.62 0.25 0.00 0.48 0.00 0.00 55.95 59.13 3i1t s SER 101 Cb -0.17 -2.64 1.31 0.00 0.10 0.00 0.00 66.02 64.61 3i1t s SER 101 CO 0.08 -0.50 1.76 -0.09 0.98 0.00 0.00 173.24 175.47 3i1t h ARG 102 N 3.72 0.00 0.00 4.02 9.65 -1.93 0.57 114.38 130.41 3i1t h ARG 102 Ca -0.48 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.38 3i1t h ARG 102 Cb 1.22 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.80 3i1t h ARG 102 CO 0.67 0.00 -0.09 0.00 2.80 0.00 0.00 179.97 183.35 3i1t h ALA 103 N 2.04 1.00 -0.19 2.80 0.00 -1.93 -2.66 119.26 120.31 3i1t h ALA 103 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i1t h ALA 103 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i1t h ALA 103 CO 0.00 0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.41 3i1t n GLN 104 N -3.20 1.93 -0.03 0.00 6.02 0.19 -1.12 117.38 121.17 3i1t n GLN 104 Ca 0.01 -1.85 0.13 0.00 -0.01 0.00 0.00 57.00 55.28 3i1t n GLN 104 Cb 0.39 -1.38 0.30 0.00 1.02 0.00 0.00 30.24 30.56 3i1t n GLN 104 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i1t n LEU 105 N 1.08 2.36 0.00 1.08 0.00 -0.95 -3.78 117.00 116.79 3i1t n LEU 105 Ca 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 56.01 55.30 3i1t n LEU 105 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 43.42 43.86 3i1t n LEU 105 CO 0.12 0.42 -0.26 1.67 0.00 0.00 0.00 177.39 179.34 3i1t n GLN 106 N 0.83 2.57 0.51 1.96 -0.06 -1.14 -4.42 117.38 117.63 3i1t n GLN 106 Ca 0.17 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.97 3i1t n GLN 106 Cb 0.48 -0.73 -0.10 0.00 -4.06 0.00 0.00 30.24 25.84 3i1t n GLN 106 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3i1t h GLU 107 N 0.00 -1.25 -0.62 3.69 4.57 -1.22 -2.35 114.58 117.40 3i1t h GLU 107 Ca 0.00 0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3i1t h GLU 107 Cb 0.00 0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3i1t h GLU 107 CO 0.00 -0.83 0.00 0.44 -1.18 0.00 0.00 179.01 177.44 3i1t n ILE 108 N -5.64 0.82 -2.08 2.32 -5.35 -1.25 -3.59 119.36 104.60 3i1t n ILE 108 Ca -0.16 -0.49 -0.16 0.00 -0.27 0.00 0.00 62.75 61.67 3i1t n ILE 108 Cb 0.51 -0.17 0.05 0.00 -1.74 0.00 0.00 39.64 38.29 3i1t n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1t n ALA 109 N 0.29 4.42 -0.45 -1.28 0.00 -0.91 -4.41 120.51 118.17 3i1t n ALA 109 Ca 0.11 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 50.00 3i1t n ALA 109 Cb 0.48 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3i1t n ALA 109 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i1t n GLN 110 N -0.72 0.47 -0.09 0.00 7.27 -1.02 -4.52 117.38 118.77 3i1t n GLN 110 Ca 0.34 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.23 3i1t n GLN 110 Cb 0.91 -0.04 -0.06 0.00 2.41 0.00 0.00 30.24 33.46 3i1t n GLN 110 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3i1t n THR 111 N 0.00 0.98 -1.16 1.69 -1.04 -1.26 -4.67 114.28 108.83 3i1t n THR 111 Ca 0.00 -0.26 -0.36 0.00 -2.04 0.00 0.00 64.05 61.39 3i1t n THR 111 Cb 0.00 -1.70 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 3i1t n THR 111 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i1t n LYS 112 N -3.74 2.17 -2.65 -2.82 5.02 -1.26 -4.11 118.16 110.77 3i1t n LYS 112 Ca -0.35 -1.91 -0.05 0.00 -2.02 0.00 0.00 58.31 53.98 3i1t n LYS 112 Cb 0.75 -2.84 0.11 0.00 -0.02 0.00 0.00 35.03 33.04 3i1t n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1t n ALA 113 N 5.84 1.67 0.00 7.82 0.00 -1.26 -4.83 120.51 129.74 3i1t n ALA 113 Ca 0.52 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3i1t n ALA 113 Cb 0.30 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3i1t n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 114 N -0.98 0.77 1.15 0.00 0.00 -1.26 -4.90 120.51 115.29 3i1t n ALA 114 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3i1t n ALA 114 Cb 0.84 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.60 3i1t n ALA 114 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i1t n ASP 115 N -1.60 0.87 -0.91 0.00 5.75 -1.26 -4.90 116.55 114.50 3i1t n ASP 115 Ca 0.00 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 3i1t n ASP 115 Cb 0.00 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3i1t n ASP 115 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3i1t n MET 116 N -0.95 3.14 -3.66 0.11 2.81 -1.26 -5.07 117.12 112.23 3i1t n MET 116 Ca 0.10 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.71 3i1t n MET 116 Cb 0.35 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.74 3i1t n MET 116 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3i1t s THR 117 N 1.79 1.67 0.00 2.03 2.01 -1.26 -4.91 115.64 116.96 3i1t s THR 117 Ca 0.00 -3.45 0.00 0.00 0.31 0.00 0.00 61.69 58.55 3i1t s THR 117 Cb 0.00 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.40 3i1t s THR 117 CO 0.00 -1.10 0.00 0.61 -0.69 0.00 0.00 174.62 173.44 3i1t n GLY 118 N 2.46 0.00 5.32 4.40 0.00 -1.26 -4.95 105.19 111.16 3i1t n GLY 118 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3i1t n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1t n ALA 119 N -2.39 0.00 -1.60 4.61 0.00 -1.26 -4.14 120.51 115.73 3i1t n ALA 119 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3i1t n ALA 119 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.03 3i1t n ALA 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i1t s ASP 120 N -4.00 4.19 0.00 0.00 1.01 -1.26 -4.91 116.67 111.70 3i1t s ASP 120 Ca 0.00 1.12 0.00 0.00 0.71 0.00 0.00 52.55 54.38 3i1t s ASP 120 Cb 0.00 -1.78 0.00 0.00 1.01 0.00 0.00 42.92 42.15 3i1t s ASP 120 CO 0.00 -2.14 0.62 -0.38 0.21 0.00 0.00 175.17 173.49 3i1t n ILE 121 N -3.52 0.35 -0.03 0.77 5.41 -1.26 -2.94 119.36 118.14 3i1t n ILE 121 Ca 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.79 3i1t n ILE 121 Cb 0.58 -0.64 -0.04 0.00 -0.71 0.00 0.00 39.64 38.82 3i1t n ILE 121 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3i1t n GLU 122 N 0.24 2.85 -0.39 0.38 4.71 -1.26 -4.04 120.64 123.13 3i1t n GLU 122 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.24 3i1t n GLU 122 Cb 0.31 -1.15 0.28 0.00 -1.01 0.00 0.00 31.44 29.87 3i1t n GLU 122 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i1t n ALA 123 N -2.25 2.65 0.01 0.62 0.00 -1.15 -3.82 120.51 116.57 3i1t n ALA 123 Ca -0.10 -1.16 -0.03 0.00 0.00 0.00 0.00 53.44 52.16 3i1t n ALA 123 Cb 0.68 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 3i1t n ALA 123 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i1t n MET 124 N 1.12 0.15 0.42 0.00 2.81 -1.23 -4.34 117.12 116.04 3i1t n MET 124 Ca 0.21 0.06 -0.16 0.00 -1.81 0.00 0.00 57.70 55.99 3i1t n MET 124 Cb 0.61 -0.76 -0.08 0.00 -0.71 0.00 0.00 33.22 32.29 3i1t n MET 124 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3i1t h THR 125 N -0.28 0.00 -0.22 2.03 1.35 -1.76 -3.14 112.91 110.89 3i1t h THR 125 Ca 0.00 -0.09 0.06 0.00 -0.55 0.00 0.00 66.41 65.83 3i1t h THR 125 Cb 0.28 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.69 3i1t h THR 125 CO 0.00 0.00 0.24 0.03 -0.25 0.00 0.00 175.52 175.54 3i1t h ARG 126 N -1.15 0.00 -0.76 4.72 3.08 -1.84 0.28 114.38 118.71 3i1t h ARG 126 Ca -0.11 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.05 3i1t h ARG 126 Cb 0.82 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.82 3i1t h ARG 126 CO 0.18 0.00 0.50 0.77 -1.07 0.00 0.00 179.97 180.35 3i1t h SER 127 N 0.00 0.55 1.39 7.04 0.02 -1.78 -1.22 113.55 119.55 3i1t h SER 127 Ca 0.10 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3i1t h SER 127 Cb 0.58 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3i1t h SER 127 CO -0.00 0.32 -0.63 0.40 -1.14 0.00 0.00 176.83 175.78 3i1t h ILE 128 N 0.61 0.53 0.00 3.27 1.08 -0.55 -3.06 117.51 119.39 3i1t h ILE 128 Ca 0.36 -1.81 -0.08 0.00 -0.39 0.00 0.00 64.86 62.94 3i1t h ILE 128 Cb 0.56 2.17 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 3i1t h ILE 128 CO -0.13 0.30 -0.38 -0.33 -0.69 0.00 0.00 178.15 176.92 3i1t h GLU 129 N 0.00 0.00 -0.03 2.37 5.08 -1.14 -2.16 114.58 118.71 3i1t h GLU 129 Ca -0.03 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 3i1t h GLU 129 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3i1t h GLU 129 CO 0.04 0.38 -0.78 0.78 -1.00 0.00 0.00 179.01 178.43 3i1t h GLY 130 N 1.28 0.25 0.99 -3.84 0.00 -1.37 -2.58 103.07 97.80 3i1t h GLY 130 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3i1t h GLY 130 CO 0.05 0.35 0.00 -1.30 0.00 0.00 0.00 176.54 175.64 3i1t n THR 131 N -3.74 0.00 -0.13 4.70 -2.24 -0.86 -3.38 114.28 108.63 3i1t n THR 131 Ca -0.03 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.49 3i1t n THR 131 Cb 0.74 -0.58 -0.11 0.00 -2.10 0.00 0.00 70.33 68.28 3i1t n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1t n ALA 132 N -0.99 1.20 0.75 6.98 0.00 -0.91 -4.34 120.51 123.20 3i1t n ALA 132 Ca 0.20 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.61 3i1t n ALA 132 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3i1t n ALA 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1t n ARG 133 N -4.01 0.75 -0.01 0.00 1.74 -1.04 -1.46 116.66 112.62 3i1t n ARG 133 Ca -0.50 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.57 3i1t n ARG 133 Cb 0.90 -1.33 -0.00 0.00 -1.02 0.00 0.00 32.46 31.00 3i1t n ARG 133 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3i1t n SER 134 N 0.21 0.34 0.26 0.55 7.64 -1.25 -4.37 113.62 117.01 3i1t n SER 134 Ca 0.00 0.28 0.12 0.00 1.01 0.00 0.00 58.87 60.27 3i1t n SER 134 Cb 0.22 -0.57 0.73 0.00 -1.01 0.00 0.00 64.21 63.59 3i1t n SER 134 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1t h MET 135 N -0.19 0.00 0.00 1.43 -0.00 -1.83 -3.41 114.93 110.94 3i1t h MET 135 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3i1t h MET 135 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 3i1t h MET 135 CO 0.00 0.09 0.00 0.41 -0.00 0.00 0.00 176.91 177.41 3i1t n GLY 136 N -0.98 0.53 0.00 -3.00 0.00 -1.16 -4.00 105.19 96.59 3i1t n GLY 136 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3i1t n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1t n LEU 137 N 0.00 0.00 0.00 0.99 4.77 -0.54 -2.67 117.00 119.55 3i1t n LEU 137 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i1t n LEU 137 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i1t n LEU 137 CO 0.00 -0.14 0.00 1.33 -1.33 0.00 0.00 177.39 177.25 3i1t n VAL 138 N -0.28 0.00 -3.98 4.08 0.24 -1.26 -4.58 118.33 112.54 3i1t n VAL 138 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 3i1t n VAL 138 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3i1t n VAL 138 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3i1t n VAL 139 N 0.00 0.00 0.00 3.34 0.24 -1.26 -4.90 118.33 115.75 3i1t n VAL 139 Ca 0.00 -1.38 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 3i1t n VAL 139 Cb 0.00 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 3i1t n VAL 139 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i1t n GLU 140 N -0.42 0.00 0.00 7.34 4.07 -1.26 -4.95 120.64 125.41 3i1t n GLU 140 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 3i1t n GLU 140 Cb 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.80 3i1t n GLU 140 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82