#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n LYS 2 N 0.00 0.00 0.00 0.00 4.01 -1.26 -5.18 118.16 115.73 3i1n n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i1n n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3i1n n LYS 2 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 3i1n n LYS 3 N 0.00 0.00 -2.66 1.97 0.00 -1.26 -5.14 118.16 111.07 3i1n n LYS 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 3i1n n LYS 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 3i1n n LYS 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3i1n s VAL 4 N 1.00 4.73 0.00 3.15 1.01 -1.26 -4.84 120.40 124.18 3i1n s VAL 4 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.95 3i1n s VAL 4 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.12 3i1n s VAL 4 CO 0.00 0.10 0.00 1.67 0.00 0.00 0.00 175.10 176.87 3i1n n GLN 5 N 4.34 0.00 0.00 2.72 7.27 -1.26 -5.12 117.38 125.33 3i1n n GLN 5 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 3i1n n GLN 5 Cb 0.50 -0.14 0.00 0.00 2.41 0.00 0.00 30.24 33.00 3i1n n GLN 5 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i1n n ALA 6 N -2.44 0.00 0.00 1.69 0.00 -1.26 -4.69 120.51 113.81 3i1n n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1n n ALA 6 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3i1n n ALA 6 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3i1n n TYR 7 N 0.00 0.00 -3.07 0.00 0.18 -1.24 -2.39 117.16 110.64 3i1n n TYR 7 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3i1n n TYR 7 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3i1n n TYR 7 CO 0.00 0.00 0.00 1.33 -2.08 0.00 0.00 176.86 176.11 3i1n n VAL 8 N -0.40 0.00 -3.32 -3.48 0.24 -1.26 -4.86 118.33 105.25 3i1n n VAL 8 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 3i1n n VAL 8 Cb 0.00 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.30 3i1n n VAL 8 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3i1n s LYS 9 N -0.05 0.39 -0.39 7.34 -2.85 -1.26 -4.21 119.74 118.71 3i1n s LYS 9 Ca 0.00 0.48 0.05 0.00 -1.00 0.00 0.00 55.97 55.50 3i1n s LYS 9 Cb 0.00 -0.33 0.16 0.00 -2.06 0.00 0.00 37.83 35.60 3i1n s LYS 9 CO 0.00 -0.74 0.45 -0.48 0.10 0.00 0.00 175.35 174.69 3i1n s LEU 10 N 2.58 -0.47 0.00 2.77 0.05 -1.26 -5.04 118.68 117.30 3i1n s LEU 10 Ca 0.13 -1.39 -0.03 0.00 0.05 0.00 0.00 54.13 52.89 3i1n s LEU 10 Cb -0.15 0.97 0.01 0.00 -2.05 0.00 0.00 46.19 44.97 3i1n s LEU 10 CO -0.20 -0.23 0.16 0.00 -0.55 0.00 0.00 176.35 175.54 3i1n n GLN 11 N 4.24 0.23 0.02 1.48 -0.00 -1.26 -4.88 117.38 117.21 3i1n n GLN 11 Ca 0.12 -0.51 0.00 0.00 -0.00 0.00 0.00 57.00 56.60 3i1n n GLN 11 Cb 0.49 0.61 0.00 0.00 -0.00 0.00 0.00 30.24 31.34 3i1n n GLN 11 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3i1n n VAL 12 N -0.12 0.12 -3.92 -0.39 0.24 -1.26 -5.01 118.33 108.00 3i1n n VAL 12 Ca -0.02 0.04 -0.10 0.00 -2.04 0.00 0.00 64.34 62.22 3i1n n VAL 12 Cb 0.13 -0.57 -0.12 0.00 -1.47 0.00 0.00 33.84 31.81 3i1n n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1n s ALA 13 N -2.00 -0.02 -0.17 2.33 0.00 -1.26 -3.92 121.76 116.72 3i1n s ALA 13 Ca 0.00 -0.27 0.29 0.00 0.00 0.00 0.00 51.96 51.98 3i1n s ALA 13 Cb 0.00 0.07 1.12 0.00 0.00 0.00 0.00 23.12 24.30 3i1n s ALA 13 CO 0.00 -0.11 1.86 0.00 0.00 0.00 0.00 175.76 177.50 3i1n h ALA 14 N 5.13 1.00 -0.58 0.00 0.00 -1.70 -3.21 119.26 119.90 3i1n h ALA 14 Ca -0.29 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.67 3i1n h ALA 14 Cb 1.21 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3i1n h ALA 14 CO 0.44 0.00 0.31 0.78 0.00 0.00 0.00 179.25 180.78 3i1n h GLY 15 N 2.47 0.83 -6.37 0.00 0.00 -1.81 -3.15 103.07 95.03 3i1n h GLY 15 Ca 0.00 -0.22 -0.74 0.00 0.00 0.00 0.00 47.33 46.37 3i1n h GLY 15 CO 0.00 0.15 0.44 1.03 0.00 0.00 0.00 176.54 178.15 3i1n n MET 16 N -4.83 4.28 -1.67 4.80 2.81 -1.21 -4.95 117.12 116.35 3i1n n MET 16 Ca 0.06 -4.65 -0.38 0.00 -1.81 0.00 0.00 57.70 50.92 3i1n n MET 16 Cb 0.14 -2.42 0.05 0.00 -0.71 0.00 0.00 33.22 30.28 3i1n n MET 16 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i1n n ALA 17 N 0.61 0.71 -3.86 3.04 0.00 -1.19 -3.67 120.51 116.15 3i1n n ALA 17 Ca 0.34 0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.44 3i1n n ALA 17 Cb 0.33 -2.21 0.03 0.00 0.00 0.00 0.00 19.45 17.60 3i1n n ALA 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1n n ASN 18 N -1.02 -4.83 -4.83 0.00 5.15 -1.26 -4.98 115.26 103.49 3i1n n ASN 18 Ca 0.13 -1.13 -0.29 0.00 -0.60 0.00 0.00 54.58 52.69 3i1n n ASN 18 Cb 0.46 -2.56 0.12 0.00 -0.53 0.00 0.00 39.78 37.27 3i1n n ASN 18 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3i1n s PRO 19 N -6.55 1.46 0.03 1.20 0.04 -1.24 -5.04 135.00 124.90 3i1n s PRO 19 Ca 0.46 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.74 3i1n s PRO 19 Cb -0.21 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3i1n s PRO 19 CO 0.91 -1.97 0.00 0.45 0.04 0.00 0.00 177.00 176.43 3i1n n SER 20 N -3.60 0.33 -0.20 6.66 2.88 -1.26 -3.41 113.62 115.01 3i1n n SER 20 Ca 0.07 0.05 -0.07 0.00 -1.33 0.00 0.00 58.87 57.59 3i1n n SER 20 Cb 0.60 -0.09 0.03 0.00 -0.75 0.00 0.00 64.21 63.99 3i1n n SER 20 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3i1n h PRO 21 N 0.00 0.79 0.00 -1.46 0.11 -1.98 0.17 132.00 129.63 3i1n h PRO 21 Ca 0.00 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 3i1n h PRO 21 Cb 0.65 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 3i1n h PRO 21 CO 0.00 0.59 -0.10 -1.35 -0.21 0.00 0.00 178.00 176.92 3i1n h PRO 22 N 0.77 0.00 0.00 1.05 0.11 -2.02 -3.43 132.00 128.48 3i1n h PRO 22 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3i1n h PRO 22 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3i1n h PRO 22 CO -0.04 0.10 0.00 1.33 -0.21 0.00 0.00 178.00 179.19 3i1n n VAL 23 N -3.30 0.00 0.00 3.15 0.24 -1.00 -5.01 118.33 112.40 3i1n n VAL 23 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1n n VAL 23 Cb 0.32 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 3i1n n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1n n GLY 24 N 1.24 1.90 0.31 7.63 0.00 0.55 -2.70 105.19 114.13 3i1n n GLY 24 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 3i1n n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i1n h PRO 25 N 0.00 0.96 0.00 1.61 0.11 -1.93 -3.09 132.00 129.66 3i1n h PRO 25 Ca 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3i1n h PRO 25 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 3i1n h PRO 25 CO 0.00 0.86 0.00 0.00 -0.21 0.00 0.00 178.00 178.65 3i1n h ALA 26 N 1.23 1.00 0.00 -0.75 0.00 -1.89 -3.07 119.26 115.78 3i1n h ALA 26 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i1n h ALA 26 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i1n h ALA 26 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 179.25 180.62 3i1n h LEU 27 N 0.00 0.00 -5.63 0.00 8.10 -1.69 -3.41 115.31 112.68 3i1n h LEU 27 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 3i1n h LEU 27 Cb 0.62 0.00 -0.18 0.00 -0.44 0.00 0.00 40.66 40.65 3i1n h LEU 27 CO 0.00 0.00 -0.34 -0.83 -4.11 0.00 0.00 178.44 173.16 3i1n s GLY 28 N -3.81 -1.38 -0.47 0.17 0.00 -1.16 -4.99 107.32 95.69 3i1n s GLY 28 Ca 0.05 0.51 0.05 0.00 0.00 0.00 0.00 44.72 45.33 3i1n s GLY 28 CO 0.52 3.89 0.40 -0.18 0.00 0.00 0.00 173.10 177.73 3i1n n GLN 29 N 4.00 0.60 0.00 2.90 7.27 -1.25 -4.39 117.38 126.50 3i1n n GLN 29 Ca 0.10 -3.45 0.00 0.00 0.07 0.00 0.00 57.00 53.72 3i1n n GLN 29 Cb 0.59 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.50 3i1n n GLN 29 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i1n n GLN 30 N 2.45 0.00 0.00 3.69 0.00 -1.26 -4.93 117.38 117.33 3i1n n GLN 30 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.27 3i1n n GLN 30 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.70 3i1n n GLN 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i1n n GLY 31 N 0.00 -0.20 3.34 2.61 0.00 -1.26 -5.05 105.19 104.63 3i1n n GLY 31 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3i1n n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1n s VAL 32 N 0.00 3.44 -0.30 1.61 1.01 -1.26 -4.14 120.40 120.76 3i1n s VAL 32 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3i1n s VAL 32 Cb 0.00 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3i1n s VAL 32 CO 0.00 0.43 1.07 0.21 0.00 0.00 0.00 175.10 176.82 3i1n s ASN 33 N 1.28 6.96 0.20 3.32 3.84 -1.26 -4.34 114.94 124.95 3i1n s ASN 33 Ca 0.03 1.13 0.11 0.00 0.21 0.00 0.00 52.86 54.34 3i1n s ASN 33 Cb -0.14 -2.54 0.60 0.00 -0.55 0.00 0.00 41.25 38.61 3i1n s ASN 33 CO -0.02 -0.84 1.27 -0.38 -2.79 0.00 0.00 177.10 174.35 3i1n n ILE 34 N 5.75 1.13 -0.02 -5.21 2.08 -1.26 -0.38 119.36 121.45 3i1n n ILE 34 Ca 0.12 0.65 0.02 0.00 0.56 0.00 0.00 62.75 64.10 3i1n n ILE 34 Cb 0.47 -1.65 -0.10 0.00 -0.75 0.00 0.00 39.64 37.61 3i1n n ILE 34 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 3i1n n MET 35 N -1.88 0.94 0.00 0.38 1.56 -1.26 -4.41 117.12 112.45 3i1n n MET 35 Ca -0.01 -0.08 0.13 0.00 -0.27 0.00 0.00 57.70 57.48 3i1n n MET 35 Cb 0.14 -1.30 0.50 0.00 2.15 0.00 0.00 33.22 34.72 3i1n n MET 35 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3i1n n GLU 36 N -2.09 0.29 -0.19 2.12 0.00 0.48 -3.47 120.64 117.78 3i1n n GLU 36 Ca -0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 57.16 56.98 3i1n n GLU 36 Cb 0.50 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.52 3i1n n GLU 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3i1n n PHE 37 N -1.26 0.45 -0.36 4.31 -0.00 -0.69 -3.15 117.46 116.77 3i1n n PHE 37 Ca 0.10 -0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.26 3i1n n PHE 37 Cb 0.31 -0.23 0.00 0.00 -0.00 0.00 0.00 39.48 39.57 3i1n n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i1n n LYS 39 N -0.33 0.13 0.05 0.00 3.00 -1.19 -4.37 118.16 115.46 3i1n n LYS 39 Ca 0.00 0.05 0.01 0.00 -0.00 0.00 0.00 58.31 58.37 3i1n n LYS 39 Cb 0.34 -0.59 0.32 0.00 0.00 0.00 0.00 35.03 35.10 3i1n n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1n h ALA 40 N -0.78 1.40 0.55 3.14 0.00 -1.90 0.17 119.26 121.83 3i1n h ALA 40 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3i1n h ALA 40 Cb 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i1n h ALA 40 CO 0.00 0.42 -0.26 0.35 0.00 0.00 0.00 179.25 179.75 3i1n h PHE 41 N 0.37 -0.69 0.00 0.00 3.57 -1.85 -2.91 116.94 115.43 3i1n h PHE 41 Ca 0.08 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3i1n h PHE 41 Cb 0.39 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.36 3i1n h PHE 41 CO 0.01 -0.43 0.00 0.09 -2.23 0.00 0.00 178.31 175.75 3i1n n ASN 42 N -4.29 0.00 0.24 0.41 3.02 -1.19 -0.20 115.26 113.25 3i1n n ASN 42 Ca -0.09 -0.29 0.15 0.00 -0.03 0.00 0.00 54.58 54.32 3i1n n ASN 42 Cb 0.29 -0.10 0.55 0.00 -0.61 0.00 0.00 39.78 39.91 3i1n n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1n h ALA 43 N 2.89 1.00 0.00 5.41 0.00 -0.45 -3.25 119.26 124.85 3i1n h ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1n h ALA 43 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i1n h ALA 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 179.25 180.42 3i1n n LYS 44 N -2.95 -0.01 -0.09 0.00 3.00 -0.54 -4.67 118.16 112.90 3i1n n LYS 44 Ca 0.02 -0.16 -0.17 0.00 -0.00 0.00 0.00 58.31 58.00 3i1n n LYS 44 Cb 0.35 -0.54 -0.10 0.00 0.00 0.00 0.00 35.03 34.74 3i1n n LYS 44 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3i1n h THR 45 N 1.35 0.92 0.00 3.15 2.02 -0.66 -3.34 112.91 116.35 3i1n h THR 45 Ca 0.00 -2.00 -0.04 0.00 0.77 0.00 0.00 66.41 65.14 3i1n h THR 45 Cb 0.58 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 3i1n h THR 45 CO 0.00 0.31 -0.20 0.44 0.37 0.00 0.00 175.52 176.44 3i1n h ASP 46 N -1.00 0.00 -0.30 4.18 3.45 -1.81 -2.17 116.42 118.77 3i1n h ASP 46 Ca -0.22 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.31 3i1n h ASP 46 Cb 1.07 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.78 3i1n h ASP 46 CO -0.13 0.20 -0.11 -1.28 -1.57 0.00 0.00 179.24 176.35 3i1n h SER 47 N 0.00 -0.39 0.00 6.45 0.87 -1.77 -3.38 113.55 115.33 3i1n h SER 47 Ca -0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3i1n h SER 47 Cb 0.65 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 3i1n h SER 47 CO 0.03 -0.14 0.00 2.30 -0.53 0.00 0.00 176.83 178.48 3i1n n ILE 48 N -5.29 0.00 -3.58 2.23 -5.35 -1.19 -5.11 119.36 101.08 3i1n n ILE 48 Ca 0.00 0.30 -0.05 0.00 -0.27 0.00 0.00 62.75 62.72 3i1n n ILE 48 Cb 0.21 -1.18 -0.02 0.00 -1.74 0.00 0.00 39.64 36.90 3i1n n ILE 48 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3i1n s GLU 49 N -0.59 0.62 -0.05 6.28 -6.30 -0.82 -5.11 118.70 112.72 3i1n s GLU 49 Ca 0.00 -0.26 0.04 0.00 -2.50 0.00 0.00 54.97 52.26 3i1n s GLU 49 Cb 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 34.13 34.39 3i1n s GLU 49 CO 0.00 -0.27 -0.19 0.15 0.02 0.00 0.00 175.26 174.97 3i1n s LYS 50 N -2.80 2.03 0.00 4.30 3.01 -1.26 -4.65 119.74 120.37 3i1n s LYS 50 Ca 0.08 -0.66 0.00 0.00 -1.01 0.00 0.00 55.97 54.38 3i1n s LYS 50 Cb -0.00 -1.71 0.00 0.00 -1.01 0.00 0.00 37.83 35.10 3i1n s LYS 50 CO -0.06 0.23 0.00 0.41 0.51 0.00 0.00 175.35 176.44 3i1n n GLY 51 N 3.24 1.10 3.69 -3.33 0.00 -1.26 -4.49 105.19 104.14 3i1n n GLY 51 Ca -0.19 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3i1n n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1n s LEU 52 N 0.00 4.31 0.20 0.99 1.02 -1.26 -4.00 118.68 119.94 3i1n s LEU 52 Ca 0.00 2.02 -0.32 0.00 0.02 0.00 0.00 54.13 55.85 3i1n s LEU 52 Cb 0.00 -3.56 -0.15 0.00 0.02 0.00 0.00 46.19 42.50 3i1n s LEU 52 CO 0.00 -0.64 1.24 -2.65 0.02 0.00 0.00 176.35 174.32 3i1n n PRO 53 N 5.04 1.48 -3.58 1.29 -0.02 -1.25 -3.94 135.00 134.02 3i1n n PRO 53 Ca 0.12 0.53 -0.29 0.00 -2.02 0.00 0.00 63.50 61.83 3i1n n PRO 53 Cb 0.45 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.71 3i1n n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i1n s ILE 54 N -0.18 0.28 0.63 4.25 1.01 -1.26 -3.80 121.20 122.14 3i1n s ILE 54 Ca 0.71 -1.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 3i1n s ILE 54 Cb -0.77 -1.23 0.04 0.00 0.01 0.00 0.00 42.46 40.51 3i1n s ILE 54 CO 0.52 -0.78 0.93 -2.16 0.00 0.00 0.00 174.94 173.44 3i1n s PRO 55 N 1.68 2.52 -0.04 2.79 0.04 -1.26 -4.92 135.00 135.81 3i1n s PRO 55 Ca 0.12 -0.26 -0.29 0.00 0.04 0.00 0.00 61.00 60.60 3i1n s PRO 55 Cb -0.18 -2.27 0.11 0.00 0.04 0.00 0.00 34.50 32.20 3i1n s PRO 55 CO -0.24 -0.94 0.90 0.54 0.04 0.00 0.00 177.00 177.29 3i1n s VAL 56 N -3.06 0.00 1.03 -0.36 0.11 -1.26 -4.83 120.40 112.04 3i1n s VAL 56 Ca 0.57 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.47 3i1n s VAL 56 Cb -0.11 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.84 3i1n s VAL 56 CO 0.44 0.00 0.35 0.52 -3.33 0.00 0.00 175.10 173.08 3i1n n VAL 57 N -0.01 0.00 -3.13 2.04 0.31 -1.26 -4.31 118.33 111.97 3i1n n VAL 57 Ca -0.09 -0.24 -0.17 0.00 -0.01 0.00 0.00 64.34 63.82 3i1n n VAL 57 Cb 0.61 -0.67 -0.02 0.00 -0.91 0.00 0.00 33.84 32.85 3i1n n VAL 57 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i1n n ILE 58 N -4.08 -0.17 -1.71 2.52 2.08 -1.11 -4.11 119.36 112.78 3i1n n ILE 58 Ca 0.04 -4.18 -0.17 0.00 0.56 0.00 0.00 62.75 59.00 3i1n n ILE 58 Cb 0.57 -0.11 -0.08 0.00 -0.75 0.00 0.00 39.64 39.28 3i1n n ILE 58 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3i1n s THR 59 N -2.04 3.14 -0.14 1.39 2.01 0.02 -3.66 115.64 116.37 3i1n s THR 59 Ca 0.38 -0.16 -0.05 0.00 0.31 0.00 0.00 61.69 62.17 3i1n s THR 59 Cb 0.34 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 3i1n s THR 59 CO -0.08 -0.28 0.02 -0.69 -0.69 0.00 0.00 174.62 172.90 3i1n s VAL 60 N 14.20 4.48 0.00 3.82 1.01 -1.26 -3.45 120.40 139.20 3i1n s VAL 60 Ca 0.84 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3i1n s VAL 60 Cb -0.09 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3i1n s VAL 60 CO 0.09 0.53 0.00 -1.22 0.00 0.00 0.00 175.10 174.51 3i1n n TYR 61 N 2.90 0.00 -1.09 5.22 0.53 -1.26 -4.57 117.16 118.89 3i1n n TYR 61 Ca -0.18 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.72 3i1n n TYR 61 Cb 0.53 0.00 0.03 0.00 -1.03 0.00 0.00 39.34 38.87 3i1n n TYR 61 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i1n n ALA 62 N -3.00 1.73 -1.46 -0.72 0.00 -1.26 -4.93 120.51 110.87 3i1n n ALA 62 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 53.44 52.02 3i1n n ALA 62 Cb 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 3i1n n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1n n ASP 63 N -0.37 6.85 0.00 0.00 9.92 -1.26 -4.96 116.55 126.73 3i1n n ASP 63 Ca 0.03 -2.92 0.00 0.00 -0.53 0.00 0.00 54.79 51.37 3i1n n ASP 63 Cb 0.53 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 3i1n n ASP 63 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3i1n n ARG 64 N 1.85 0.00 0.00 -1.24 3.00 -1.26 -4.70 116.66 114.30 3i1n n ARG 64 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.40 3i1n n ARG 64 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 3i1n n ARG 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3i1n n SER 65 N 9.85 0.00 -3.51 6.15 7.64 -1.26 -4.86 113.62 127.62 3i1n n SER 65 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3i1n n SER 65 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 3i1n n SER 65 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3i1n s PHE 66 N 0.00 -0.51 -0.20 1.43 -0.12 -1.26 -4.70 117.98 112.62 3i1n s PHE 66 Ca 0.00 0.70 -0.02 0.00 -0.05 0.00 0.00 56.93 57.56 3i1n s PHE 66 Cb 0.00 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.86 3i1n s PHE 66 CO 0.00 -0.57 -0.11 0.95 -0.05 0.00 0.00 175.22 175.43 3i1n s THR 67 N -1.98 2.80 -0.31 -4.49 -4.23 -1.22 -4.98 115.64 101.22 3i1n s THR 67 Ca -0.04 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.81 3i1n s THR 67 Cb -0.00 -2.24 0.09 0.00 1.34 0.00 0.00 72.50 71.69 3i1n s THR 67 CO 0.00 0.48 0.01 0.72 -0.54 0.00 0.00 174.62 175.29 3i1n s PHE 68 N 1.35 3.30 -0.21 3.99 -0.71 -1.26 -0.80 117.98 123.64 3i1n s PHE 68 Ca 0.05 -2.61 -0.29 0.00 -1.04 0.00 0.00 56.93 53.03 3i1n s PHE 68 Cb -0.14 -2.47 0.00 0.00 -1.21 0.00 0.00 43.02 39.21 3i1n s PHE 68 CO -0.07 -0.91 1.08 0.08 -1.34 0.00 0.00 175.22 174.06 3i1n s VAL 69 N 1.07 4.60 0.43 -2.49 1.01 -1.26 -4.86 120.40 118.90 3i1n s VAL 69 Ca 0.05 1.93 -0.12 0.00 0.00 0.00 0.00 61.98 63.85 3i1n s VAL 69 Cb -0.19 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 3i1n s VAL 69 CO -0.09 -0.16 0.82 0.28 0.00 0.00 0.00 175.10 175.94 3i1n s THR 70 N 3.21 4.73 0.00 3.92 -1.32 -1.26 -4.28 115.64 120.63 3i1n s THR 70 Ca 0.46 0.75 0.00 0.00 -1.21 0.00 0.00 61.69 61.69 3i1n s THR 70 Cb -0.16 -3.73 0.00 0.00 -1.51 0.00 0.00 72.50 67.09 3i1n s THR 70 CO 0.08 -0.57 0.00 2.29 -2.21 0.00 0.00 174.62 174.22 3i1n n LYS 71 N -1.38 0.00 -4.33 7.08 0.00 -1.26 -5.13 118.16 113.14 3i1n n LYS 71 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.10 3i1n n LYS 71 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.45 3i1n n LYS 71 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3i1n s THR 72 N -0.09 1.88 0.22 0.58 -4.23 -1.26 -5.09 115.64 107.64 3i1n s THR 72 Ca 0.00 -1.74 0.04 0.00 -1.18 0.00 0.00 61.69 58.81 3i1n s THR 72 Cb 0.00 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 3i1n s THR 72 CO 0.00 -0.13 0.34 -2.16 -0.54 0.00 0.00 174.62 172.13 3i1n s PRO 73 N -2.29 3.44 0.01 3.99 0.04 -1.26 -4.64 135.00 134.30 3i1n s PRO 73 Ca 0.12 -0.72 -0.33 0.00 0.04 0.00 0.00 61.00 60.11 3i1n s PRO 73 Cb -0.08 -2.91 -0.12 0.00 0.04 0.00 0.00 34.50 31.43 3i1n s PRO 73 CO 0.06 0.45 1.82 -0.35 0.04 0.00 0.00 177.00 179.02 3i1n n PRO 74 N -1.19 2.36 0.03 0.56 -0.04 -1.25 -4.87 135.00 130.60 3i1n n PRO 74 Ca -0.08 0.86 0.11 0.00 -0.04 0.00 0.00 63.50 64.35 3i1n n PRO 74 Cb 0.56 -2.71 0.46 0.00 -0.04 0.00 0.00 33.50 31.76 3i1n n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1n n ALA 75 N 5.91 1.97 1.48 0.55 0.00 -1.26 -2.50 120.51 126.66 3i1n n ALA 75 Ca 0.20 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.73 3i1n n ALA 75 Cb 0.32 -1.36 0.52 0.00 0.00 0.00 0.00 19.45 18.92 3i1n n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n n ALA 76 N -1.56 2.57 0.39 0.00 0.00 -1.26 -2.89 120.51 117.76 3i1n n ALA 76 Ca 0.05 -0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.16 3i1n n ALA 76 Cb 0.27 -1.16 0.20 0.00 0.00 0.00 0.00 19.45 18.75 3i1n n ALA 76 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1n n VAL 77 N 0.17 0.44 -0.11 0.00 0.24 -1.04 -4.17 118.33 113.86 3i1n n VAL 77 Ca 0.19 -0.72 -0.10 0.00 -2.04 0.00 0.00 64.34 61.67 3i1n n VAL 77 Cb 0.35 1.06 0.05 0.00 -1.47 0.00 0.00 33.84 33.83 3i1n n VAL 77 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3i1n n LEU 78 N 1.46 4.91 -0.26 1.34 4.77 -1.14 -3.36 117.00 124.72 3i1n n LEU 78 Ca 0.18 -2.51 0.02 0.00 -0.03 0.00 0.00 56.01 53.67 3i1n n LEU 78 Cb 0.60 -0.76 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3i1n n LEU 78 CO 0.16 0.84 0.32 0.18 -1.33 0.00 0.00 177.39 177.56 3i1n n LEU 79 N 0.13 0.52 0.00 2.23 4.77 -1.26 -3.78 117.00 119.60 3i1n n LEU 79 Ca 0.22 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 3i1n n LEU 79 Cb 0.81 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3i1n n LEU 79 CO 0.24 0.28 -0.29 0.29 -1.33 0.00 0.00 177.39 176.58 3i1n n LYS 80 N -0.26 2.40 -0.03 3.23 5.02 -1.21 -2.48 118.16 124.82 3i1n n LYS 80 Ca 0.02 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.28 3i1n n LYS 80 Cb 0.60 -0.79 -0.04 0.00 -0.02 0.00 0.00 35.03 34.78 3i1n n LYS 80 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3i1n n LYS 81 N -1.18 2.13 -1.60 1.97 2.85 -1.26 -4.58 118.16 116.50 3i1n n LYS 81 Ca 0.00 0.01 -0.07 0.00 -1.05 0.00 0.00 58.31 57.20 3i1n n LYS 81 Cb 0.18 -1.15 0.09 0.00 -0.65 0.00 0.00 35.03 33.49 3i1n n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1n n ALA 82 N -2.38 3.89 0.00 0.58 0.00 -1.26 -4.84 120.51 116.50 3i1n n ALA 82 Ca -0.11 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.03 3i1n n ALA 82 Cb 0.68 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3i1n n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n n ALA 83 N -0.68 0.00 0.00 0.00 0.00 -1.25 -4.72 120.51 113.86 3i1n n ALA 83 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3i1n n ALA 83 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 3i1n n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 84 N -1.26 -0.41 3.41 0.00 0.00 -1.04 -4.93 105.19 100.96 3i1n n GLY 84 Ca 0.00 0.28 -0.45 0.00 0.00 0.00 0.00 46.02 45.85 3i1n n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i1n n ILE 85 N 0.00 1.62 0.49 -0.61 -6.64 -1.15 -4.02 119.36 109.05 3i1n n ILE 85 Ca 0.00 -0.50 0.12 0.00 -1.77 0.00 0.00 62.75 60.60 3i1n n ILE 85 Cb 0.00 -0.23 0.46 0.00 -1.44 0.00 0.00 39.64 38.43 3i1n n ILE 85 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3i1n n LYS 86 N 0.97 0.23 0.00 6.28 4.01 -1.26 -3.82 118.16 124.57 3i1n n LYS 86 Ca 0.14 0.34 0.00 0.00 -0.51 0.00 0.00 58.31 58.28 3i1n n LYS 86 Cb 0.32 -1.85 0.00 0.00 -0.51 0.00 0.00 35.03 32.99 3i1n n LYS 86 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3i1n n SER 87 N -2.27 0.00 0.00 4.39 3.41 -1.26 -5.01 113.62 112.88 3i1n n SER 87 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3i1n n SER 87 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3i1n n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1n n GLY 88 N 4.59 -0.45 0.00 5.00 0.00 -1.26 -4.95 105.19 108.12 3i1n n GLY 88 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3i1n n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i1n n SER 89 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.81 113.62 116.80 3i1n n SER 89 Ca 0.00 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.65 3i1n n SER 89 Cb 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 3i1n n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1n n GLY 90 N -0.85 1.57 3.12 0.23 0.00 -1.26 -3.85 105.19 104.14 3i1n n GLY 90 Ca 0.00 0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 3i1n n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n s LYS 91 N 0.00 3.33 0.00 1.61 -0.14 -1.26 -5.05 119.74 118.23 3i1n s LYS 91 Ca 0.00 -3.30 0.00 0.00 -1.36 0.00 0.00 55.97 51.31 3i1n s LYS 91 Cb 0.00 -3.98 0.00 0.00 -1.68 0.00 0.00 37.83 32.17 3i1n s LYS 91 CO 0.00 -1.27 0.00 -2.30 -0.76 0.00 0.00 175.35 171.02 3i1n n PRO 92 N 2.30 0.00 -2.80 -1.68 -0.02 -1.25 -4.42 135.00 127.13 3i1n n PRO 92 Ca 0.22 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 3i1n n PRO 92 Cb 0.37 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.86 3i1n n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i1n n ASN 93 N 0.00 6.75 -0.00 2.55 4.13 -1.26 -4.02 115.26 123.41 3i1n n ASN 93 Ca 0.00 -3.49 0.00 0.00 1.68 0.00 0.00 54.58 52.77 3i1n n ASN 93 Cb 0.00 -1.25 -0.00 0.00 -1.54 0.00 0.00 39.78 36.99 3i1n n ASN 93 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3i1n n LYS 94 N 0.98 6.67 -3.58 3.52 4.76 -1.26 -5.02 118.16 124.22 3i1n n LYS 94 Ca 0.35 -0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.64 3i1n n LYS 94 Cb 0.30 -0.53 -0.07 0.00 -1.84 0.00 0.00 35.03 32.90 3i1n n LYS 94 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i1n s ASP 95 N -1.06 -0.71 -0.24 4.39 2.15 -1.26 -5.04 116.67 114.89 3i1n s ASP 95 Ca 0.00 1.14 -0.03 0.00 0.43 0.00 0.00 52.55 54.09 3i1n s ASP 95 Cb 0.00 1.08 -0.08 0.00 -0.30 0.00 0.00 42.92 43.62 3i1n s ASP 95 CO 0.01 -0.40 1.71 0.29 -0.17 0.00 0.00 175.17 176.61 3i1n n LYS 96 N 1.94 1.01 -0.23 4.34 4.01 -1.26 -4.72 118.16 123.25 3i1n n LYS 96 Ca -0.16 -0.68 -0.06 0.00 -0.51 0.00 0.00 58.31 56.90 3i1n n LYS 96 Cb 0.56 -1.93 -0.05 0.00 -0.51 0.00 0.00 35.03 33.09 3i1n n LYS 96 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3i1n n VAL 97 N 3.46 -0.37 -4.71 -0.18 0.31 -1.26 -4.74 118.33 110.84 3i1n n VAL 97 Ca 0.22 1.53 -0.32 0.00 -0.01 0.00 0.00 64.34 65.76 3i1n n VAL 97 Cb 0.25 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.19 3i1n n VAL 97 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3i1n s GLY 98 N -2.29 3.00 -0.29 2.92 0.00 -1.24 -5.04 107.32 104.38 3i1n s GLY 98 Ca -0.06 -0.37 -0.16 0.00 0.00 0.00 0.00 44.72 44.13 3i1n s GLY 98 CO 0.33 -2.10 1.09 -1.59 0.00 0.00 0.00 173.10 170.83 3i1n s LYS 99 N -3.83 0.24 0.00 2.90 -2.85 -1.26 -0.03 119.74 114.91 3i1n s LYS 99 Ca 0.07 0.45 0.00 0.00 -1.00 0.00 0.00 55.97 55.49 3i1n s LYS 99 Cb 0.00 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 3i1n s LYS 99 CO 0.05 -0.06 0.00 -0.89 0.10 0.00 0.00 175.35 174.55 3i1n n ILE 100 N 3.79 0.00 -3.83 3.79 2.08 -1.14 -4.83 119.36 119.21 3i1n n ILE 100 Ca -0.16 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.05 3i1n n ILE 100 Cb 0.56 -0.18 0.00 0.00 -0.75 0.00 0.00 39.64 39.28 3i1n n ILE 100 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3i1n n SER 101 N 0.00 -1.75 -0.01 4.38 3.41 -1.26 -1.06 113.62 117.33 3i1n n SER 101 Ca 0.00 -2.55 -0.16 0.00 -0.26 0.00 0.00 58.87 55.89 3i1n n SER 101 Cb 0.00 3.01 -0.10 0.00 -0.26 0.00 0.00 64.21 66.86 3i1n n SER 101 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i1n h ARG 102 N 0.00 0.39 -0.13 4.33 2.43 -1.77 -3.30 114.38 116.32 3i1n h ARG 102 Ca -0.28 -0.37 0.04 0.00 -0.81 0.00 0.00 59.98 58.56 3i1n h ARG 102 Cb 1.10 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.70 3i1n h ARG 102 CO 0.37 1.03 -0.14 0.00 -1.51 0.00 0.00 179.97 179.72 3i1n h ALA 103 N 0.37 -0.05 -2.45 2.80 0.00 -1.92 -3.37 119.26 114.64 3i1n h ALA 103 Ca -0.05 0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.38 3i1n h ALA 103 Cb 1.17 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3i1n h ALA 103 CO 0.10 -0.59 0.45 -0.65 0.00 0.00 0.00 179.25 178.55 3i1n s GLN 104 N -6.15 4.52 0.00 0.00 -0.21 -1.24 -3.35 119.66 113.23 3i1n s GLN 104 Ca -0.14 1.57 0.00 0.00 0.02 0.00 0.00 55.36 56.80 3i1n s GLN 104 Cb 0.10 -3.41 0.00 0.00 1.00 0.00 0.00 33.01 30.71 3i1n s GLN 104 CO 0.68 -0.11 0.00 1.28 -2.12 0.00 0.00 175.29 175.02 3i1n n LEU 105 N 3.80 0.00 0.29 2.90 4.77 -1.26 -4.35 117.00 123.15 3i1n n LEU 105 Ca 0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 3i1n n LEU 105 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 3i1n n LEU 105 CO 0.53 0.00 0.32 -0.61 -1.33 0.00 0.00 177.39 176.30 3i1n h GLN 106 N 3.67 -0.76 -0.58 3.23 4.15 -1.71 -2.07 115.11 121.04 3i1n h GLN 106 Ca 0.00 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 3i1n h GLN 106 Cb 0.00 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 3i1n h GLN 106 CO 0.00 -0.51 0.26 0.93 -1.93 0.00 0.00 178.83 177.59 3i1n h GLU 107 N -1.18 0.82 -0.46 1.69 3.07 -1.95 -0.00 114.58 116.57 3i1n h GLU 107 Ca -0.08 -0.11 0.09 0.00 -0.50 0.00 0.00 59.36 58.76 3i1n h GLU 107 Cb 0.60 -0.15 -0.10 0.00 -0.84 0.00 0.00 28.75 28.26 3i1n h GLU 107 CO 0.13 0.65 -0.24 0.82 -1.40 0.00 0.00 179.01 178.97 3i1n h ILE 108 N 0.82 0.33 0.01 3.13 2.04 -1.95 -0.69 117.51 121.20 3i1n h ILE 108 Ca 0.20 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.84 3i1n h ILE 108 Cb 0.11 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 3i1n h ILE 108 CO -0.02 0.00 -1.06 0.00 0.00 0.00 0.00 178.15 177.06 3i1n h ALA 109 N 1.10 0.35 -0.40 1.87 0.00 -1.19 -3.27 119.26 117.72 3i1n h ALA 109 Ca 0.21 -0.94 0.10 0.00 0.00 0.00 0.00 54.91 54.28 3i1n h ALA 109 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3i1n h ALA 109 CO -0.55 1.24 0.28 0.37 0.00 0.00 0.00 179.25 180.60 3i1n h GLN 110 N 0.01 0.09 -0.45 0.00 4.15 -0.00 -2.84 115.11 116.06 3i1n h GLN 110 Ca -0.04 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 3i1n h GLN 110 Cb 1.80 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.46 3i1n h GLN 110 CO 0.13 0.06 0.09 1.79 -1.93 0.00 0.00 178.83 178.97 3i1n h THR 111 N 0.09 1.24 0.00 2.39 1.35 -1.22 -3.28 112.91 113.49 3i1n h THR 111 Ca 0.19 -0.87 -0.13 0.00 -0.55 0.00 0.00 66.41 65.06 3i1n h THR 111 Cb 0.64 0.94 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 3i1n h THR 111 CO -0.02 0.30 0.67 0.29 -0.25 0.00 0.00 175.52 176.51 3i1n n LYS 112 N -4.48 0.99 0.20 4.72 5.02 -1.07 -4.49 118.16 119.04 3i1n n LYS 112 Ca 0.00 -0.61 0.12 0.00 -2.02 0.00 0.00 58.31 55.81 3i1n n LYS 112 Cb 0.23 -1.86 0.65 0.00 -0.02 0.00 0.00 35.03 34.03 3i1n n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1n h ALA 113 N 5.31 1.06 -0.09 7.82 0.00 -1.81 -0.51 119.26 131.03 3i1n h ALA 113 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i1n h ALA 113 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3i1n h ALA 113 CO 0.63 -0.06 -0.14 0.00 0.00 0.00 0.00 179.25 179.69 3i1n n ALA 114 N -1.79 3.01 -3.19 0.00 0.00 -1.26 -4.94 120.51 112.34 3i1n n ALA 114 Ca -0.02 -2.82 0.01 0.00 0.00 0.00 0.00 53.44 50.62 3i1n n ALA 114 Cb 0.12 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 3i1n n ALA 114 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i1n s ASP 115 N -2.77 -1.13 0.00 0.00 -1.08 -0.20 -5.05 116.67 106.43 3i1n s ASP 115 Ca 0.37 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.86 3i1n s ASP 115 Cb 0.33 1.91 0.00 0.00 -1.46 0.00 0.00 42.92 43.70 3i1n s ASP 115 CO 0.01 -0.29 0.00 0.23 0.52 0.00 0.00 175.17 175.64 3i1n n MET 116 N 5.41 0.00 -2.78 4.34 2.81 -1.26 -4.80 117.12 120.84 3i1n n MET 116 Ca 0.01 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.49 3i1n n MET 116 Cb 0.52 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 33.04 3i1n n MET 116 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3i1n n THR 117 N -0.20 5.73 -3.15 2.03 -2.24 -1.26 -4.86 114.28 110.33 3i1n n THR 117 Ca 0.00 -5.95 0.06 0.00 -2.27 0.00 0.00 64.05 55.88 3i1n n THR 117 Cb 0.00 -1.72 -0.00 0.00 -2.10 0.00 0.00 70.33 66.51 3i1n n THR 117 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i1n s GLY 118 N -1.58 -0.83 0.66 3.38 0.00 -1.26 -4.94 107.32 102.75 3i1n s GLY 118 Ca 0.37 2.24 0.36 0.00 0.00 0.00 0.00 44.72 47.68 3i1n s GLY 118 CO -0.05 4.08 2.12 0.00 0.00 0.00 0.00 173.10 179.25 3i1n h ALA 119 N 7.35 1.24 -2.41 3.20 0.00 -2.02 -3.41 119.26 123.21 3i1n h ALA 119 Ca -0.10 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.27 3i1n h ALA 119 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3i1n h ALA 119 CO -0.11 -0.20 0.79 0.34 0.00 0.00 0.00 179.25 180.08 3i1n s ASP 120 N -4.83 6.86 0.39 0.00 -1.08 -1.26 -4.91 116.67 111.84 3i1n s ASP 120 Ca -0.04 2.15 0.21 0.00 -0.52 0.00 0.00 52.55 54.35 3i1n s ASP 120 Cb 0.11 -2.57 0.40 0.00 -1.46 0.00 0.00 42.92 39.41 3i1n s ASP 120 CO 0.35 -0.69 1.61 0.40 0.52 0.00 0.00 175.17 177.36 3i1n h ILE 121 N 4.76 0.38 -0.01 4.11 2.04 -2.02 -3.17 117.51 123.61 3i1n h ILE 121 Ca -0.39 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.06 3i1n h ILE 121 Cb 1.19 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 3i1n h ILE 121 CO 0.89 0.20 -0.63 1.21 0.00 0.00 0.00 178.15 179.82 3i1n n GLU 122 N -3.18 0.46 -0.10 2.37 4.07 -1.26 -4.43 120.64 118.57 3i1n n GLU 122 Ca 0.03 -0.34 -0.20 0.00 -0.06 0.00 0.00 57.16 56.59 3i1n n GLU 122 Cb 0.57 -1.49 -0.12 0.00 -0.06 0.00 0.00 31.44 30.33 3i1n n GLU 122 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i1n n ALA 123 N -0.97 1.28 0.34 4.31 0.00 -1.20 -4.04 120.51 120.22 3i1n n ALA 123 Ca 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 53.44 52.55 3i1n n ALA 123 Cb 0.37 -0.24 0.03 0.00 0.00 0.00 0.00 19.45 19.62 3i1n n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n n MET 124 N -3.39 0.17 0.01 0.00 -0.00 -1.20 -3.02 117.12 109.68 3i1n n MET 124 Ca -0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 57.70 57.26 3i1n n MET 124 Cb 0.99 -1.10 -0.01 0.00 -0.00 0.00 0.00 33.22 33.10 3i1n n MET 124 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 3i1n h THR 125 N 0.00 0.00 0.00 3.17 2.02 -1.81 -3.32 112.91 112.97 3i1n h THR 125 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3i1n h THR 125 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3i1n h THR 125 CO 0.00 0.00 0.12 -2.11 0.37 0.00 0.00 175.52 173.90 3i1n n ARG 126 N -3.35 0.03 0.24 6.66 0.00 -1.17 -0.51 116.66 118.56 3i1n n ARG 126 Ca -0.01 0.46 -0.13 0.00 -0.00 0.00 0.00 57.85 58.17 3i1n n ARG 126 Cb 0.03 -1.73 -0.07 0.00 -0.00 0.00 0.00 32.46 30.70 3i1n n ARG 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3i1n h SER 127 N 0.00 -0.54 1.21 2.89 4.64 -1.71 -2.76 113.55 117.28 3i1n h SER 127 Ca 0.00 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 3i1n h SER 127 Cb 0.23 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3i1n h SER 127 CO 0.00 -0.15 -0.14 0.40 -0.87 0.00 0.00 176.83 176.08 3i1n h ILE 128 N -1.02 0.30 0.13 0.95 1.08 -1.12 -3.01 117.51 114.82 3i1n h ILE 128 Ca -0.06 -1.01 0.02 0.00 -0.39 0.00 0.00 64.86 63.41 3i1n h ILE 128 Cb 0.58 1.79 -0.05 0.00 -3.07 0.00 0.00 36.82 36.08 3i1n h ILE 128 CO 0.11 0.13 -0.47 -0.33 -0.69 0.00 0.00 178.15 176.90 3i1n h GLU 129 N 0.00 -0.69 -0.19 2.37 5.08 -0.75 -1.24 114.58 119.18 3i1n h GLU 129 Ca -0.00 0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3i1n h GLU 129 Cb 0.78 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3i1n h GLU 129 CO 0.02 -0.46 -0.12 0.78 -1.00 0.00 0.00 179.01 178.23 3i1n h GLY 130 N -0.71 0.32 1.65 -3.84 0.00 -1.49 -1.92 103.07 97.08 3i1n h GLY 130 Ca 0.01 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.19 3i1n h GLY 130 CO -0.26 0.19 0.13 -0.84 0.00 0.00 0.00 176.54 175.75 3i1n h THR 131 N 0.28 0.89 -0.80 4.70 2.02 -1.22 0.58 112.91 119.36 3i1n h THR 131 Ca 0.06 0.00 -0.45 0.00 0.77 0.00 0.00 66.41 66.79 3i1n h THR 131 Cb 0.39 0.91 -0.25 0.00 -1.74 0.00 0.00 68.15 67.46 3i1n h THR 131 CO 0.02 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.32 3i1n n ALA 132 N -2.56 5.32 -0.60 6.16 0.00 -0.54 -3.98 120.51 124.31 3i1n n ALA 132 Ca 0.01 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.36 3i1n n ALA 132 Cb 0.26 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3i1n n ALA 132 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1n n ARG 133 N -1.09 0.00 -0.09 0.00 0.63 0.17 -4.48 116.66 111.81 3i1n n ARG 133 Ca 0.52 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.46 3i1n n ARG 133 Cb 1.32 -0.30 0.05 0.00 0.45 0.00 0.00 32.46 33.98 3i1n n ARG 133 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3i1n n SER 134 N 0.00 1.07 0.00 6.15 7.64 0.55 -2.75 113.62 126.28 3i1n n SER 134 Ca 0.00 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.82 3i1n n SER 134 Cb 0.15 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 3i1n n SER 134 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 3i1n n MET 135 N -0.06 0.27 0.00 1.43 0.00 -1.26 -4.86 117.12 112.64 3i1n n MET 135 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 57.70 57.53 3i1n n MET 135 Cb 0.23 -0.66 0.00 0.00 0.00 0.00 0.00 33.22 32.78 3i1n n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i1n n GLY 136 N 0.10 1.44 3.73 3.17 0.00 -1.11 -4.23 105.19 108.29 3i1n n GLY 136 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1n n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1n s LEU 137 N 0.00 4.47 -0.40 0.99 1.43 -1.26 -3.63 118.68 120.28 3i1n s LEU 137 Ca 0.00 1.89 -0.18 0.00 -1.03 0.00 0.00 54.13 54.80 3i1n s LEU 137 Cb 0.00 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.64 3i1n s LEU 137 CO 0.00 -0.18 0.51 -0.69 0.23 0.00 0.00 176.35 176.22 3i1n s VAL 138 N 0.17 5.00 0.16 -1.59 1.01 0.96 -4.69 120.40 121.42 3i1n s VAL 138 Ca 0.50 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 3i1n s VAL 138 Cb -0.25 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 3i1n s VAL 138 CO 0.31 -0.40 1.30 0.54 0.00 0.00 0.00 175.10 176.85 3i1n s VAL 139 N 2.39 3.38 -0.74 2.92 0.11 -1.26 -2.88 120.40 124.31 3i1n s VAL 139 Ca 0.17 1.08 -0.03 0.00 -2.93 0.00 0.00 61.98 60.26 3i1n s VAL 139 Cb -0.16 -3.69 0.19 0.00 -1.53 0.00 0.00 36.38 31.19 3i1n s VAL 139 CO 0.15 0.13 0.59 -1.61 -3.33 0.00 0.00 175.10 171.03 3i1n s GLU 140 N 0.34 2.91 0.00 1.54 8.01 -0.22 -4.95 118.70 126.33 3i1n s GLU 140 Ca 0.59 -2.83 0.29 0.00 0.01 0.00 0.00 54.97 53.02 3i1n s GLU 140 Cb -0.35 -3.86 1.23 0.00 -4.31 0.00 0.00 34.13 26.84 3i1n s GLU 140 CO 0.35 -1.22 1.84 -3.47 0.01 0.00 0.00 175.26 172.77