#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otc h GLN 11 N 0.00 0.00 -5.87 3.69 4.20 -2.04 -3.44 115.11 111.66 1otc h GLN 11 Ca 0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 1otc h GLN 11 Cb 0.00 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.67 1otc h GLN 11 CO 0.00 0.46 0.43 0.45 -0.67 0.00 0.00 178.83 179.50 1otc s SER 12 N -6.44 6.56 0.24 1.46 0.15 -1.26 -4.93 113.70 109.49 1otc s SER 12 Ca 0.03 0.33 -0.05 0.00 0.70 0.00 0.00 55.95 56.97 1otc s SER 12 Cb 0.08 -2.41 0.27 0.00 -1.71 0.00 0.00 66.02 62.25 1otc s SER 12 CO 0.73 -0.79 1.79 0.00 1.20 0.00 0.00 173.24 176.17 1otc h ALA 13 N 8.57 1.11 -0.23 5.45 0.00 -1.87 -2.09 119.26 130.19 1otc h ALA 13 Ca -0.24 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 1otc h ALA 13 Cb 1.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1otc h ALA 13 CO 0.94 0.61 -0.56 0.74 0.00 0.00 0.00 179.25 180.98 1otc h PHE 14 N 0.97 1.01 -0.16 0.00 -1.00 -1.93 -2.39 116.94 113.43 1otc h PHE 14 Ca 0.21 -0.38 -0.08 0.00 2.81 0.00 0.00 57.97 60.53 1otc h PHE 14 Cb 0.29 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 1otc h PHE 14 CO 0.02 1.20 -0.25 -0.22 -1.61 0.00 0.00 178.31 177.44 1otc h LYS 15 N 0.53 0.30 -0.16 1.51 3.64 -1.94 -0.51 116.57 119.94 1otc h LYS 15 Ca -0.00 -0.10 -0.21 0.00 -1.27 0.00 0.00 60.65 59.07 1otc h LYS 15 Cb 1.17 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1otc h LYS 15 CO 0.12 0.54 -0.70 0.37 -2.27 0.00 0.00 179.45 177.51 1otc h GLN 16 N 0.27 0.76 0.82 1.90 4.15 -1.38 -2.29 115.11 119.33 1otc h GLN 16 Ca 0.04 -0.60 -0.04 0.00 0.77 0.00 0.00 58.65 58.82 1otc h GLN 16 Cb 0.60 0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.42 1otc h GLN 16 CO 0.04 1.21 -0.39 1.25 -1.93 0.00 0.00 178.83 179.01 1otc h LEU 17 N 0.48 -0.93 -1.68 -2.39 5.85 -1.16 -0.94 115.31 114.55 1otc h LEU 17 Ca -0.04 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1otc h LEU 17 Cb 1.34 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 1otc h LEU 17 CO 0.15 -0.60 0.00 1.88 -0.34 0.00 0.00 178.44 179.53 1otc h TYR 18 N -1.21 0.20 -0.23 1.25 -1.99 -1.21 -1.49 116.97 112.28 1otc h TYR 18 Ca -0.11 -0.01 -0.19 0.00 2.00 0.00 0.00 58.73 60.42 1otc h TYR 18 Cb 0.85 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.52 1otc h TYR 18 CO -0.00 0.21 -0.61 1.15 -0.00 0.00 0.00 178.16 178.91 1otc h THR 19 N 0.20 1.28 -0.78 -2.88 2.02 -1.36 -2.87 112.91 108.52 1otc h THR 19 Ca 0.05 -1.80 -0.04 0.00 0.77 0.00 0.00 66.41 65.38 1otc h THR 19 Cb 0.14 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1otc h THR 19 CO 0.00 0.58 0.32 -0.33 0.37 0.00 0.00 175.52 176.46 1otc h GLU 20 N 0.59 1.16 -0.17 6.66 4.39 -0.53 -1.87 114.58 124.81 1otc h GLU 20 Ca -0.01 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1otc h GLU 20 Cb 1.23 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1otc h GLU 20 CO 0.13 0.94 0.08 1.25 -1.16 0.00 0.00 179.01 180.25 1otc h LEU 21 N 1.13 0.23 -1.16 1.33 5.85 -1.28 -2.76 115.31 118.64 1otc h LEU 21 Ca 0.26 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1otc h LEU 21 Cb 0.21 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1otc h LEU 21 CO -0.02 0.29 -0.16 -0.26 -0.34 0.00 0.00 178.44 177.95 1otc h PHE 22 N 0.15 0.42 0.00 1.25 0.04 -1.38 -1.28 116.94 116.14 1otc h PHE 22 Ca 0.06 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1otc h PHE 22 Cb 0.13 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1otc h PHE 22 CO -0.02 0.54 0.00 0.09 -0.60 0.00 0.00 178.31 178.31 1otc n ASN 23 N -4.20 0.00 -0.58 2.17 3.02 -0.71 -3.24 115.26 111.72 1otc n ASN 23 Ca -0.00 -1.07 0.06 0.00 -0.03 0.00 0.00 54.58 53.54 1otc n ASN 23 Cb 0.32 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.62 1otc n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1otc n ASN 24 N -0.94 1.52 -2.20 6.41 3.02 -0.81 -5.00 115.26 117.27 1otc n ASN 24 Ca 0.20 -3.02 -0.20 0.00 -0.03 0.00 0.00 54.58 51.52 1otc n ASN 24 Cb 0.09 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.83 1otc n ASN 24 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1otc n GLU 25 N -0.76 -1.59 -1.03 3.52 1.02 -1.18 -2.39 120.64 118.22 1otc n GLU 25 Ca 0.13 1.02 -0.01 0.00 -0.02 0.00 0.00 57.16 58.28 1otc n GLU 25 Cb 0.76 -5.61 -0.00 0.00 -0.02 0.00 0.00 31.44 26.56 1otc n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1otc n GLY 26 N -0.93 0.47 3.51 0.62 0.00 -0.55 -4.62 105.19 103.69 1otc n GLY 26 Ca -0.24 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1otc n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1otc s ASP 27 N -2.22 6.32 0.44 1.61 -1.08 -1.01 -4.77 116.67 115.97 1otc s ASP 27 Ca 0.00 -0.45 0.31 0.00 -0.52 0.00 0.00 52.55 51.89 1otc s ASP 27 Cb 0.00 -2.40 1.40 0.00 -1.46 0.00 0.00 42.92 40.46 1otc s ASP 27 CO 0.00 -1.13 1.92 0.15 0.52 0.00 0.00 175.17 176.63 1otc h PHE 28 N 9.21 0.00 -0.00 -5.34 3.57 -1.90 -2.76 116.94 119.73 1otc h PHE 28 Ca -0.26 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.02 1otc h PHE 28 Cb 1.08 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.84 1otc h PHE 28 CO 0.87 0.00 -0.86 0.77 -2.23 0.00 0.00 178.31 176.86 1otc h SER 29 N 0.00 0.77 0.49 0.41 0.02 -1.97 -3.29 113.55 109.98 1otc h SER 29 Ca 0.00 -0.74 -0.04 0.00 -0.84 0.00 0.00 61.79 60.17 1otc h SER 29 Cb 0.30 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1otc h SER 29 CO 0.00 1.41 -0.18 0.11 -1.14 0.00 0.00 176.83 177.03 1otc h LYS 30 N 0.20 0.00 -6.80 3.45 1.57 -1.84 -3.44 116.57 109.71 1otc h LYS 30 Ca -0.11 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.15 1otc h LYS 30 Cb 1.54 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.90 1otc h LYS 30 CO 0.17 0.18 0.62 0.14 -0.57 0.00 0.00 179.45 179.99 1otc s VAL 31 N -4.07 2.98 0.12 0.50 -7.23 -1.21 -4.91 120.40 106.57 1otc s VAL 31 Ca -0.02 0.92 -0.35 0.00 -1.81 0.00 0.00 61.98 60.72 1otc s VAL 31 Cb 0.13 -3.58 -0.17 0.00 0.56 0.00 0.00 36.38 33.31 1otc s VAL 31 CO 0.61 0.19 1.10 -1.54 -0.31 0.00 0.00 175.10 175.15 1otc n SER 32 N 1.51 0.76 0.00 4.85 3.41 -1.26 -4.83 113.62 118.06 1otc n SER 32 Ca 0.02 1.14 0.06 0.00 -0.26 0.00 0.00 58.87 59.83 1otc n SER 32 Cb 0.42 -1.11 0.35 0.00 -0.26 0.00 0.00 64.21 63.62 1otc n SER 32 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1otc n SER 33 N 1.98 0.00 0.06 4.04 3.41 -1.26 -2.41 113.62 119.44 1otc n SER 33 Ca 0.17 -0.71 -0.08 0.00 -0.26 0.00 0.00 58.87 57.99 1otc n SER 33 Cb 0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.02 1otc n SER 33 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1otc h ASN 34 N 0.00 0.05 0.12 4.04 2.35 -2.02 -3.23 115.58 116.89 1otc h ASN 34 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1otc h ASN 34 Cb 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1otc h ASN 34 CO 0.00 1.05 -0.05 0.18 -1.65 0.00 0.00 177.43 176.95 1otc n LEU 35 N -3.37 0.75 0.07 1.61 4.77 -1.01 -3.88 117.00 115.94 1otc n LEU 35 Ca -0.01 -0.19 0.10 0.00 -0.03 0.00 0.00 56.01 55.87 1otc n LEU 35 Cb 0.95 -0.07 0.42 0.00 -2.33 0.00 0.00 43.42 42.40 1otc n LEU 35 CO 0.48 0.13 0.82 0.29 -1.33 0.00 0.00 177.39 177.78 1otc n LYS 36 N -0.54 0.11 -1.59 3.23 4.76 -1.22 -4.86 118.16 118.05 1otc n LYS 36 Ca 0.18 0.30 -0.36 0.00 -2.87 0.00 0.00 58.31 55.57 1otc n LYS 36 Cb 0.27 -1.69 0.08 0.00 -1.84 0.00 0.00 35.03 31.84 1otc n LYS 36 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1otc n LYS 37 N -1.90 0.90 -1.63 1.97 5.02 -1.25 -4.94 118.16 116.34 1otc n LYS 37 Ca 0.03 0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 56.27 1otc n LYS 37 Cb 0.23 -2.48 -0.00 0.00 -0.02 0.00 0.00 35.03 32.77 1otc n LYS 37 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1otc n PRO 38 N -2.09 1.59 -3.71 1.97 -0.02 -1.26 -4.98 135.00 126.49 1otc n PRO 38 Ca 0.15 0.56 -0.38 0.00 -2.02 0.00 0.00 63.50 61.81 1otc n PRO 38 Cb 0.48 -2.08 -0.11 0.00 -0.02 0.00 0.00 33.50 31.77 1otc n PRO 38 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1otc s LEU 39 N -0.45 4.88 -0.60 2.45 1.43 -1.12 -4.99 118.68 120.27 1otc s LEU 39 Ca 0.60 -1.55 -0.23 0.00 -1.03 0.00 0.00 54.13 51.91 1otc s LEU 39 Cb -0.60 -1.89 0.05 0.00 0.03 0.00 0.00 46.19 43.79 1otc s LEU 39 CO 0.59 -0.47 0.95 -0.54 0.23 0.00 0.00 176.35 177.11 1otc s LYS 40 N 1.33 3.22 0.08 1.70 1.02 -1.26 -2.69 119.74 123.13 1otc s LYS 40 Ca 0.02 -0.54 0.07 0.00 0.02 0.00 0.00 55.97 55.54 1otc s LYS 40 Cb -0.22 -4.14 -0.03 0.00 -0.52 0.00 0.00 37.83 32.92 1otc s LYS 40 CO 0.00 -1.64 -0.18 0.00 -0.92 0.00 0.00 175.35 172.61 1otc s TYR 42 N -1.11 3.68 -0.34 0.00 5.04 -0.72 -2.04 117.35 121.87 1otc s TYR 42 Ca 0.03 1.75 -0.17 0.00 -2.44 0.00 0.00 57.07 56.24 1otc s TYR 42 Cb -0.10 -3.21 -0.01 0.00 0.35 0.00 0.00 41.96 39.00 1otc s TYR 42 CO 0.03 -0.31 0.45 0.08 -1.34 0.00 0.00 175.55 174.47 1otc s VAL 43 N -1.10 5.08 -0.11 3.14 1.01 -1.20 -0.28 120.40 126.95 1otc s VAL 43 Ca 0.44 0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.48 1otc s VAL 43 Cb -0.30 -3.89 -0.27 0.00 0.00 0.00 0.00 36.38 31.91 1otc s VAL 43 CO 0.38 -0.13 0.68 0.50 0.00 0.00 0.00 175.10 176.53 1otc h LYS 44 N 8.42 0.16 -4.80 2.72 3.64 -1.61 0.17 116.57 125.27 1otc h LYS 44 Ca -0.29 -0.28 -0.30 0.00 -1.27 0.00 0.00 60.65 58.52 1otc h LYS 44 Cb 1.13 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 32.91 1otc h LYS 44 CO 0.73 1.13 -0.65 -1.21 -2.27 0.00 0.00 179.45 177.19 1otc s GLU 45 N -2.38 1.17 0.00 1.90 2.02 -0.80 -4.34 118.70 116.27 1otc s GLU 45 Ca -0.19 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.22 1otc s GLU 45 Cb 0.01 -0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.01 1otc s GLU 45 CO 0.74 -0.18 0.00 -1.13 0.02 0.00 0.00 175.26 174.72 1otc n SER 46 N -0.28 0.00 -3.64 -0.19 3.41 -1.18 -2.27 113.62 109.46 1otc n SER 46 Ca -0.05 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.50 1otc n SER 46 Cb 0.64 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 1otc n SER 46 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1otc s TYR 47 N 0.00 -0.32 0.39 7.33 5.04 -1.26 -4.05 117.35 124.48 1otc s TYR 47 Ca 0.00 0.78 0.39 0.00 -2.44 0.00 0.00 57.07 55.80 1otc s TYR 47 Cb 0.00 0.40 1.92 0.00 0.35 0.00 0.00 41.96 44.62 1otc s TYR 47 CO 0.00 -0.16 2.19 -1.35 -1.34 0.00 0.00 175.55 174.89 1otc h PRO 48 N 3.94 0.00 -4.97 4.97 0.11 -2.00 -3.48 132.00 130.56 1otc h PRO 48 Ca -0.28 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.20 1otc h PRO 48 Cb 1.18 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.95 1otc h PRO 48 CO 0.14 0.00 -0.85 -1.01 -0.21 0.00 0.00 178.00 176.07 1otc s HIS 49 N -3.92 2.36 -0.73 0.65 3.76 -1.26 -4.91 115.29 111.24 1otc s HIS 49 Ca -0.02 -1.18 -0.24 0.00 -0.15 0.00 0.00 55.06 53.47 1otc s HIS 49 Cb 0.11 -1.65 0.06 0.00 1.11 0.00 0.00 32.58 32.22 1otc s HIS 49 CO 0.48 -0.57 1.11 0.12 -0.85 0.00 0.00 174.74 175.03 1otc s PHE 50 N 0.95 2.57 -0.14 1.40 2.19 -1.26 -3.11 117.98 120.59 1otc s PHE 50 Ca -0.06 -0.48 -0.02 0.00 0.33 0.00 0.00 56.93 56.70 1otc s PHE 50 Cb -0.15 -4.43 -0.02 0.00 -1.31 0.00 0.00 43.02 37.11 1otc s PHE 50 CO -0.03 -1.79 -0.08 -0.51 1.83 0.00 0.00 175.22 174.64 1otc s LEU 51 N 4.54 3.04 0.27 6.12 1.43 -0.96 -4.00 118.68 129.13 1otc s LEU 51 Ca 0.29 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.27 1otc s LEU 51 Cb -0.12 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1otc s LEU 51 CO 0.09 0.18 0.15 -0.69 0.23 0.00 0.00 176.35 176.31 1otc s VAL 52 N 0.26 3.95 -0.05 -1.59 1.01 0.03 -1.56 120.40 122.46 1otc s VAL 52 Ca -0.05 -1.56 -0.04 0.00 0.00 0.00 0.00 61.98 60.32 1otc s VAL 52 Cb -0.15 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1otc s VAL 52 CO 0.04 -0.32 0.14 0.28 0.00 0.00 0.00 175.10 175.23 1otc s THR 53 N -2.23 -0.01 -2.17 3.92 -1.32 0.62 -0.81 115.64 113.63 1otc s THR 53 Ca 0.34 0.03 0.17 0.00 -1.21 0.00 0.00 61.69 61.02 1otc s THR 53 Cb -0.07 -0.20 0.41 0.00 -1.51 0.00 0.00 72.50 71.13 1otc s THR 53 CO 0.24 0.01 1.45 -0.90 -2.21 0.00 0.00 174.62 173.20 1otc n ASP 54 N 3.20 1.73 0.00 8.08 5.75 -1.11 -1.75 116.55 132.45 1otc n ASP 54 Ca -0.15 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1otc n ASP 54 Cb 0.58 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1otc n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1otc n GLY 55 N 1.10 2.34 0.35 6.12 0.00 -1.26 -4.81 105.19 109.03 1otc n GLY 55 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 1otc n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1otc n TYR 56 N -0.56 0.00 -4.42 1.61 4.01 -1.26 -3.33 117.16 113.20 1otc n TYR 56 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1otc n TYR 56 Cb 0.00 -0.18 -0.11 0.00 -0.31 0.00 0.00 39.34 38.74 1otc n TYR 56 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1otc s PHE 57 N -2.09 1.87 0.05 -0.72 0.08 -1.26 -3.30 117.98 112.60 1otc s PHE 57 Ca -0.07 -1.00 0.07 0.00 0.12 0.00 0.00 56.93 56.06 1otc s PHE 57 Cb 0.02 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 1otc s PHE 57 CO 0.10 -0.06 -0.21 -0.59 -0.10 0.00 0.00 175.22 174.36 1otc s PHE 58 N -3.39 1.84 0.06 0.36 -0.12 -0.59 -2.76 117.98 113.38 1otc s PHE 58 Ca 0.37 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 1otc s PHE 58 Cb 0.08 -1.10 -0.03 0.00 -0.63 0.00 0.00 43.02 41.34 1otc s PHE 58 CO 0.15 0.10 -0.05 0.14 -0.05 0.00 0.00 175.22 175.51 1otc s VAL 59 N -0.81 0.39 -0.49 -2.49 -7.23 0.01 -3.37 120.40 106.40 1otc s VAL 59 Ca 0.08 -1.58 -0.15 0.00 -1.81 0.00 0.00 61.98 58.52 1otc s VAL 59 Cb -0.09 -1.21 0.09 0.00 0.56 0.00 0.00 36.38 35.74 1otc s VAL 59 CO 0.02 -0.78 0.42 0.00 -0.31 0.00 0.00 175.10 174.45 1otc s ALA 60 N -3.01 3.57 0.70 1.32 0.00 -1.26 -0.79 121.76 122.30 1otc s ALA 60 Ca 0.02 -2.28 -0.12 0.00 0.00 0.00 0.00 51.96 49.58 1otc s ALA 60 Cb 0.01 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.04 1otc s ALA 60 CO -0.05 -1.83 1.08 -1.25 0.00 0.00 0.00 175.76 173.71 1otc s PRO 61 N 1.60 2.70 -0.28 0.00 0.04 -1.26 -4.48 135.00 133.33 1otc s PRO 61 Ca 0.04 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.28 1otc s PRO 61 Cb -0.26 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.40 1otc s PRO 61 CO 0.05 -1.30 -0.07 0.71 0.04 0.00 0.00 177.00 176.43 1otc s TYR 62 N -2.74 3.25 0.42 0.56 1.51 0.61 -4.97 117.35 115.99 1otc s TYR 62 Ca 0.62 -2.40 -0.22 0.00 -1.01 0.00 0.00 57.07 54.06 1otc s TYR 62 Cb -0.17 -2.10 -0.10 0.00 -0.11 0.00 0.00 41.96 39.48 1otc s TYR 62 CO 0.50 -0.88 0.97 -0.06 -1.11 0.00 0.00 175.55 174.96 1otc s PHE 63 N 1.10 3.33 0.17 2.71 0.08 -1.26 -1.98 117.98 122.12 1otc s PHE 63 Ca -0.04 1.64 -0.08 0.00 0.12 0.00 0.00 56.93 58.57 1otc s PHE 63 Cb -0.20 -2.91 -0.06 0.00 -0.57 0.00 0.00 43.02 39.28 1otc s PHE 63 CO -0.06 -0.19 0.46 0.99 -0.10 0.00 0.00 175.22 176.32 1otc s THR 64 N -2.01 5.04 -2.00 0.64 2.01 -1.23 -1.13 115.64 116.96 1otc s THR 64 Ca 0.60 0.33 0.17 0.00 0.31 0.00 0.00 61.69 63.10 1otc s THR 64 Cb -0.13 -3.63 0.49 0.00 0.01 0.00 0.00 72.50 69.24 1otc s THR 64 CO 0.17 0.05 1.45 1.17 -0.69 0.00 0.00 174.62 176.77 1otc n LYS 65 N 0.18 0.66 -0.26 4.92 4.81 -1.26 -1.16 118.16 126.04 1otc n LYS 65 Ca -0.02 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.49 1otc n LYS 65 Cb 0.52 -1.41 0.10 0.00 0.02 0.00 0.00 35.03 34.27 1otc n LYS 65 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1otc n GLU 66 N -0.91 0.92 0.00 1.64 -0.58 -1.26 -4.64 120.64 115.82 1otc n GLU 66 Ca 0.13 -2.19 0.00 0.00 -0.42 0.00 0.00 57.16 54.68 1otc n GLU 66 Cb 0.06 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 1otc n GLU 66 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1otc n ALA 67 N -0.98 1.80 0.22 0.62 0.00 -0.31 -4.72 120.51 117.13 1otc n ALA 67 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.67 1otc n ALA 67 Cb 0.67 0.23 0.23 0.00 0.00 0.00 0.00 19.45 20.59 1otc n ALA 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1otc h VAL 68 N 0.00 0.16 -0.64 0.00 2.07 -1.76 -2.95 116.25 113.13 1otc h VAL 68 Ca 0.00 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1otc h VAL 68 Cb 0.68 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1otc h VAL 68 CO 0.00 0.08 0.21 0.78 0.02 0.00 0.00 177.57 178.66 1otc h ASN 69 N 0.00 0.92 -0.53 0.57 2.35 -1.83 -2.21 115.58 114.85 1otc h ASN 69 Ca -0.00 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.46 1otc h ASN 69 Cb 0.98 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 1otc h ASN 69 CO 0.01 0.87 -0.01 -0.08 -1.65 0.00 0.00 177.43 176.57 1otc h GLU 70 N 0.91 0.94 -0.78 0.81 4.81 -1.83 -2.53 114.58 116.91 1otc h GLU 70 Ca 0.21 -0.31 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1otc h GLU 70 Cb 0.28 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 1otc h GLU 70 CO -0.01 0.96 0.51 0.35 -0.73 0.00 0.00 179.01 180.10 1otc h PHE 71 N 0.81 0.86 0.01 0.92 3.57 -1.28 -0.31 116.94 121.53 1otc h PHE 71 Ca 0.15 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.47 1otc h PHE 71 Cb 0.54 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1otc h PHE 71 CO 0.04 0.46 -0.93 0.45 -2.23 0.00 0.00 178.31 176.10 1otc h HIS 72 N 0.86 0.05 -0.16 0.41 3.86 -1.28 -1.26 115.15 117.64 1otc h HIS 72 Ca 0.33 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.39 1otc h HIS 72 Cb 0.21 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1otc h HIS 72 CO -0.00 0.94 -0.36 0.00 0.86 0.00 0.00 177.93 179.37 1otc h ALA 73 N 1.05 0.25 0.00 2.45 0.00 -0.91 -2.50 119.26 119.60 1otc h ALA 73 Ca -0.02 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 1otc h ALA 73 Cb 1.64 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 1otc h ALA 73 CO 0.13 0.32 -1.00 0.87 0.00 0.00 0.00 179.25 179.57 1otc h LYS 74 N 0.15 0.00 -2.40 0.00 1.57 -1.18 -3.39 116.57 111.32 1otc h LYS 74 Ca -0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1otc h LYS 74 Cb 0.96 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.88 1otc h LYS 74 CO 0.08 0.79 -0.86 1.19 -0.57 0.00 0.00 179.45 180.07 1otc n PHE 75 N -3.26 0.89 -1.86 -1.35 3.72 -0.47 -5.09 117.46 110.03 1otc n PHE 75 Ca -0.02 -3.73 -0.41 0.00 -0.05 0.00 0.00 57.45 53.23 1otc n PHE 75 Cb 0.90 -0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 39.20 1otc n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1otc s PRO 76 N -1.03 4.17 0.00 -1.08 0.02 -0.94 -2.88 135.00 133.27 1otc s PRO 76 Ca 0.33 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1otc s PRO 76 Cb 0.07 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.54 1otc s PRO 76 CO -0.14 -0.55 0.00 -1.71 -0.33 0.00 0.00 177.00 174.27 1otc n ASN 77 N 2.16 -2.67 -4.15 2.53 2.85 -1.26 -4.88 115.26 109.84 1otc n ASN 77 Ca 0.07 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.11 1otc n ASN 77 Cb 0.38 -2.49 0.00 0.00 1.24 0.00 0.00 39.78 38.91 1otc n ASN 77 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1otc n VAL 78 N -2.09 4.05 -1.57 3.44 0.31 -1.14 -4.96 118.33 116.36 1otc n VAL 78 Ca 0.00 -4.13 -0.57 0.00 -0.01 0.00 0.00 64.34 59.63 1otc n VAL 78 Cb 0.20 -2.44 -0.07 0.00 -0.91 0.00 0.00 33.84 30.62 1otc n VAL 78 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1otc n ASN 79 N 5.75 0.95 0.08 4.52 0.23 -1.26 -4.91 115.26 120.63 1otc n ASN 79 Ca 0.43 1.14 -0.05 0.00 -0.53 0.00 0.00 54.58 55.57 1otc n ASN 79 Cb 0.41 -1.04 0.12 0.00 -2.08 0.00 0.00 39.78 37.18 1otc n ASN 79 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1otc h ILE 80 N 3.48 1.39 0.00 1.53 2.10 -1.93 -3.13 117.51 120.94 1otc h ILE 80 Ca -0.49 -1.98 0.00 0.00 1.08 0.00 0.00 64.86 63.47 1otc h ILE 80 Cb 1.38 2.00 0.00 0.00 -1.09 0.00 0.00 36.82 39.11 1otc h ILE 80 CO 0.75 0.58 0.00 0.58 -1.08 0.00 0.00 178.15 178.99 1otc h VAL 81 N 0.18 0.00 -0.50 2.19 2.07 -1.88 -2.56 116.25 115.76 1otc h VAL 81 Ca -0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1otc h VAL 81 Cb 1.11 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1otc h VAL 81 CO 0.09 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.15 1otc n ASP 82 N -2.41 4.30 0.00 0.57 8.00 -1.18 -4.42 116.55 121.41 1otc n ASP 82 Ca 0.02 -2.54 0.14 0.00 0.71 0.00 0.00 54.79 53.12 1otc n ASP 82 Cb 0.25 -0.51 0.75 0.00 -0.02 0.00 0.00 41.12 41.59 1otc n ASP 82 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1otc n LEU 83 N 0.59 0.00 -4.64 0.64 4.77 -0.96 -4.88 117.00 112.51 1otc n LEU 83 Ca 0.22 0.17 -0.47 0.00 -0.03 0.00 0.00 56.01 55.89 1otc n LEU 83 Cb 0.83 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.71 1otc n LEU 83 CO 0.20 -0.02 1.04 1.07 -1.33 0.00 0.00 177.39 178.35 1otc n THR 84 N -1.17 0.28 -1.89 -5.08 5.66 -1.26 -1.64 114.28 109.19 1otc n THR 84 Ca 0.16 -0.07 -0.08 0.00 -3.05 0.00 0.00 64.05 61.01 1otc n THR 84 Cb 0.17 -1.29 -0.01 0.00 -1.55 0.00 0.00 70.33 67.65 1otc n THR 84 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1otc n ASP 85 N 2.80 -3.23 -3.85 1.09 -0.08 0.05 -5.03 116.55 108.30 1otc n ASP 85 Ca 0.16 0.05 -0.15 0.00 -1.51 0.00 0.00 54.79 53.34 1otc n ASP 85 Cb 0.27 -2.22 -0.15 0.00 2.34 0.00 0.00 41.12 41.36 1otc n ASP 85 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1otc s LYS 86 N -3.90 0.23 0.35 -0.67 1.02 -0.65 -4.75 119.74 111.36 1otc s LYS 86 Ca 0.00 0.02 -0.28 0.00 0.02 0.00 0.00 55.97 55.73 1otc s LYS 86 Cb 0.00 -0.34 -0.10 0.00 -0.52 0.00 0.00 37.83 36.87 1otc s LYS 86 CO 0.00 -0.06 1.26 0.08 -0.92 0.00 0.00 175.35 175.71 1otc s VAL 87 N 0.60 2.84 0.12 3.17 1.01 -1.26 -3.23 120.40 123.65 1otc s VAL 87 Ca -0.06 0.81 0.07 0.00 0.00 0.00 0.00 61.98 62.81 1otc s VAL 87 Cb -0.09 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1otc s VAL 87 CO -0.01 0.17 -0.17 0.27 0.00 0.00 0.00 175.10 175.35 1otc s ILE 88 N -1.20 1.52 -0.27 2.22 -4.36 -0.87 -1.94 121.20 116.31 1otc s ILE 88 Ca 0.51 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 59.26 1otc s ILE 88 Cb -0.37 -1.55 0.07 0.00 1.25 0.00 0.00 42.46 41.86 1otc s ILE 88 CO 0.49 -0.27 -0.03 -0.69 0.24 0.00 0.00 174.94 174.68 1otc s VAL 89 N -1.73 1.73 -0.48 8.37 1.01 -0.15 -1.97 120.40 127.19 1otc s VAL 89 Ca 0.08 -1.52 -0.28 0.00 0.00 0.00 0.00 61.98 60.26 1otc s VAL 89 Cb -0.07 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1otc s VAL 89 CO 0.04 -0.23 1.08 0.27 0.00 0.00 0.00 175.10 176.26 1otc s ILE 90 N 1.27 4.27 -0.00 2.22 -4.36 -1.10 -1.30 121.20 122.20 1otc s ILE 90 Ca -0.02 1.07 -0.01 0.00 -0.26 0.00 0.00 60.65 61.43 1otc s ILE 90 Cb -0.19 -4.56 -0.01 0.00 1.25 0.00 0.00 42.46 38.95 1otc s ILE 90 CO -0.08 -0.98 0.49 0.78 0.24 0.00 0.00 174.94 175.39 1otc h ASN 91 N 9.21 -0.03 -3.51 4.36 2.35 -0.78 -2.97 115.58 124.21 1otc h ASN 91 Ca -0.23 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 54.86 1otc h ASN 91 Cb 1.06 0.01 -0.25 0.00 0.05 0.00 0.00 38.32 39.19 1otc h ASN 91 CO 1.10 -0.01 -0.67 0.21 -1.65 0.00 0.00 177.43 176.41 1otc s ASN 92 N -2.67 4.72 0.07 5.81 2.47 -1.24 -4.50 114.94 119.59 1otc s ASN 92 Ca -0.01 -0.29 0.00 0.00 0.42 0.00 0.00 52.86 52.98 1otc s ASN 92 Cb 0.00 -1.83 -0.04 0.00 -1.45 0.00 0.00 41.25 37.93 1otc s ASN 92 CO 0.02 -0.02 -0.05 -1.66 -3.72 0.00 0.00 177.10 171.67 1otc s TRP 93 N 1.50 0.69 0.22 0.43 1.48 -1.26 -0.98 118.94 121.03 1otc s TRP 93 Ca 0.06 -1.00 0.05 0.00 -1.06 0.00 0.00 56.10 54.14 1otc s TRP 93 Cb -0.15 -0.45 -0.05 0.00 -1.16 0.00 0.00 33.47 31.66 1otc s TRP 93 CO 0.00 -0.28 -0.04 -1.12 -4.06 0.00 0.00 176.95 171.46 1otc s SER 94 N -2.98 2.05 -0.30 -2.66 0.01 0.26 -4.98 113.70 105.11 1otc s SER 94 Ca 0.09 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1otc s SER 94 Cb 0.07 -0.04 0.09 0.00 0.21 0.00 0.00 66.02 66.35 1otc s SER 94 CO -0.08 -0.43 0.06 -0.76 0.41 0.00 0.00 173.24 172.45 1otc s LEU 95 N -3.31 2.77 0.48 2.44 1.43 -1.26 -0.23 118.68 121.01 1otc s LEU 95 Ca 0.26 -1.62 0.04 0.00 -1.03 0.00 0.00 54.13 51.78 1otc s LEU 95 Cb 0.04 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.22 1otc s LEU 95 CO 0.08 -0.37 0.68 -1.61 0.23 0.00 0.00 176.35 175.35 1otc s GLU 96 N 1.44 2.72 -0.02 1.70 2.02 -0.50 -4.62 118.70 121.44 1otc s GLU 96 Ca 0.07 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1otc s GLU 96 Cb -0.18 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.46 1otc s GLU 96 CO -0.17 -0.48 -0.00 -1.17 0.02 0.00 0.00 175.26 173.45 1otc s LEU 97 N -4.57 1.43 0.06 1.80 2.96 -1.26 -1.23 118.68 117.87 1otc s LEU 97 Ca 0.55 -0.03 -0.22 0.00 -0.22 0.00 0.00 54.13 54.21 1otc s LEU 97 Cb -0.10 -0.17 0.05 0.00 0.50 0.00 0.00 46.19 46.47 1otc s LEU 97 CO 0.36 -0.06 0.52 0.00 -1.32 0.00 0.00 176.35 175.85 1otc s ARG 98 N 0.68 1.06 0.13 1.98 1.70 -0.67 -0.83 118.95 123.00 1otc s ARG 98 Ca -0.07 -0.28 -0.28 0.00 -0.47 0.00 0.00 55.73 54.63 1otc s ARG 98 Cb -0.10 0.48 -0.07 0.00 -0.57 0.00 0.00 34.95 34.70 1otc s ARG 98 CO -0.01 -0.39 0.90 1.03 -1.08 0.00 0.00 175.30 175.74 1otc s ARG 99 N -2.63 4.68 0.23 3.89 0.52 -1.26 -1.05 118.95 123.33 1otc s ARG 99 Ca -0.04 1.35 0.02 0.00 -0.52 0.00 0.00 55.73 56.54 1otc s ARG 99 Cb -0.00 -3.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.12 1otc s ARG 99 CO -0.03 0.33 0.26 0.28 0.02 0.00 0.00 175.30 176.16 1otc n VAL 100 N 2.39 0.00 -3.54 3.52 0.31 -0.87 -4.94 118.33 115.19 1otc n VAL 100 Ca -0.00 -1.39 -0.41 0.00 -0.01 0.00 0.00 64.34 62.53 1otc n VAL 100 Cb 0.49 0.77 -0.08 0.00 -0.91 0.00 0.00 33.84 34.11 1otc n VAL 100 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1otc s ASN 101 N -2.49 5.77 0.00 4.52 2.47 -1.26 -4.29 114.94 119.65 1otc s ASN 101 Ca 0.23 -2.10 0.00 0.00 0.42 0.00 0.00 52.86 51.40 1otc s ASN 101 Cb 0.00 -2.02 0.00 0.00 -1.45 0.00 0.00 41.25 37.78 1otc s ASN 101 CO 0.16 -0.65 0.74 -1.20 -3.72 0.00 0.00 177.10 172.43 1otc n SER 102 N 4.65 0.00 0.04 -4.21 7.64 -1.26 -0.50 113.62 119.98 1otc n SER 102 Ca -0.04 0.27 0.12 0.00 1.01 0.00 0.00 58.87 60.23 1otc n SER 102 Cb 0.41 -0.27 0.17 0.00 -1.01 0.00 0.00 64.21 63.51 1otc n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1otc n ALA 103 N -1.24 3.09 -0.01 -0.43 0.00 -1.26 -4.16 120.51 116.51 1otc n ALA 103 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.17 1otc n ALA 103 Cb 0.06 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1otc n ALA 103 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1otc n GLU 104 N -1.98 0.97 -3.93 0.00 1.02 0.34 -4.94 120.64 112.12 1otc n GLU 104 Ca 0.03 -0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 1otc n GLU 104 Cb 0.42 -1.10 -0.14 0.00 -0.02 0.00 0.00 31.44 30.60 1otc n GLU 104 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1otc s VAL 105 N -2.24 2.90 -0.50 2.62 1.01 -0.75 -4.98 120.40 118.46 1otc s VAL 105 Ca -0.02 -1.30 0.26 0.00 0.00 0.00 0.00 61.98 60.92 1otc s VAL 105 Cb 0.02 -2.62 0.31 0.00 0.00 0.00 0.00 36.38 34.09 1otc s VAL 105 CO 0.17 -0.02 1.75 2.19 0.00 0.00 0.00 175.10 179.19 1otc h PHE 106 N 7.99 0.00 -0.44 5.22 -5.15 -1.89 -3.26 116.94 119.41 1otc h PHE 106 Ca -0.24 0.00 -0.28 0.00 -0.20 0.00 0.00 57.97 57.25 1otc h PHE 106 Cb 1.07 0.00 -0.13 0.00 0.22 0.00 0.00 35.95 37.11 1otc h PHE 106 CO 0.61 0.00 0.36 0.25 -2.00 0.00 0.00 178.31 177.53 1otc n THR 107 N -2.58 2.54 -4.00 0.88 -2.24 -1.26 -4.85 114.28 102.77 1otc n THR 107 Ca 0.04 -1.39 -0.10 0.00 -2.27 0.00 0.00 64.05 60.33 1otc n THR 107 Cb 0.40 -1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 67.37 1otc n THR 107 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1otc s SER 108 N 0.25 0.04 -0.15 3.42 1.04 -1.23 -4.72 113.70 112.35 1otc s SER 108 Ca 0.28 -1.01 -0.10 0.00 0.48 0.00 0.00 55.95 55.59 1otc s SER 108 Cb 0.22 0.61 0.05 0.00 0.10 0.00 0.00 66.02 67.00 1otc s SER 108 CO 0.01 -1.19 0.38 -0.47 0.98 0.00 0.00 173.24 172.94 1otc s TYR 109 N -3.80 -0.49 -1.46 5.02 5.04 -0.82 -4.91 117.35 115.93 1otc s TYR 109 Ca 0.23 1.11 -0.09 0.00 -2.44 0.00 0.00 57.07 55.88 1otc s TYR 109 Cb -0.01 0.19 0.05 0.00 0.35 0.00 0.00 41.96 42.54 1otc s TYR 109 CO 0.11 -0.27 0.86 0.00 -1.34 0.00 0.00 175.55 174.90 1otc n ALA 110 N 3.70 -1.57 -2.47 3.97 0.00 -1.26 -1.95 120.51 120.94 1otc n ALA 110 Ca -0.19 0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 1otc n ALA 110 Cb 0.56 -3.46 -0.00 0.00 0.00 0.00 0.00 19.45 16.54 1otc n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1otc n ASN 111 N -2.91 -5.83 -3.85 0.00 4.13 -1.26 -4.99 115.26 100.54 1otc n ASN 111 Ca -0.09 -0.05 -0.15 0.00 1.68 0.00 0.00 54.58 55.97 1otc n ASN 111 Cb 0.58 -4.82 -0.15 0.00 -1.54 0.00 0.00 39.78 33.85 1otc n ASN 111 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1otc s LEU 112 N -5.94 1.57 -0.02 3.41 1.43 -0.82 -2.06 118.68 116.25 1otc s LEU 112 Ca 0.04 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1otc s LEU 112 Cb -0.02 -0.13 0.02 0.00 0.03 0.00 0.00 46.19 46.10 1otc s LEU 112 CO 0.05 -0.04 -0.00 -0.70 0.23 0.00 0.00 176.35 175.88 1otc s GLU 113 N 0.50 0.30 -0.52 1.70 2.12 -0.21 -1.95 118.70 120.63 1otc s GLU 113 Ca -0.05 0.04 -0.17 0.00 0.36 0.00 0.00 54.97 55.16 1otc s GLU 113 Cb -0.07 -0.44 0.09 0.00 0.26 0.00 0.00 34.13 33.97 1otc s GLU 113 CO -0.01 -0.10 0.53 0.00 -0.54 0.00 0.00 175.26 175.14 1otc s ALA 114 N 0.83 3.53 0.05 6.30 0.00 -1.26 -1.67 121.76 129.54 1otc s ALA 114 Ca -0.08 -2.20 -0.21 0.00 0.00 0.00 0.00 51.96 49.46 1otc s ALA 114 Cb -0.12 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 1otc s ALA 114 CO -0.01 -1.99 0.63 1.03 0.00 0.00 0.00 175.76 175.41 1otc s ARG 115 N 2.02 4.33 -0.59 0.00 0.52 -0.36 -4.92 118.95 119.94 1otc s ARG 115 Ca 0.07 0.83 -0.19 0.00 -0.52 0.00 0.00 55.73 55.92 1otc s ARG 115 Cb -0.25 -3.30 0.10 0.00 0.52 0.00 0.00 34.95 32.01 1otc s ARG 115 CO 0.06 0.46 0.73 -1.17 0.02 0.00 0.00 175.30 175.40 1otc s LEU 116 N -0.57 5.27 -0.05 2.53 2.96 -1.26 -1.41 118.68 126.15 1otc s LEU 116 Ca 0.32 -1.36 -0.25 0.00 -0.22 0.00 0.00 54.13 52.62 1otc s LEU 116 Cb -0.19 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 1otc s LEU 116 CO 0.20 -1.13 0.77 -0.63 -1.32 0.00 0.00 176.35 174.23 1otc s ILE 117 N 2.82 5.00 0.04 6.68 -1.09 0.68 -0.28 121.20 135.05 1otc s ILE 117 Ca 0.13 1.59 0.08 0.00 -2.23 0.00 0.00 60.65 60.22 1otc s ILE 117 Cb -0.23 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 1otc s ILE 117 CO 0.07 0.23 -0.22 0.54 -1.23 0.00 0.00 174.94 174.32 1otc s VAL 118 N 0.87 2.46 0.00 2.92 0.11 -0.84 0.91 120.40 126.83 1otc s VAL 118 Ca 0.41 -1.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1otc s VAL 118 Cb -0.18 -1.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.68 1otc s VAL 118 CO 0.20 0.38 0.00 1.41 -3.33 0.00 0.00 175.10 173.76 1otc n HIS 119 N 1.74 0.00 -3.67 1.54 -0.00 -0.15 -3.52 115.22 111.15 1otc n HIS 119 Ca -0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.47 1otc n HIS 119 Cb 0.52 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.42 1otc n HIS 119 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1otc s SER 120 N -2.48 -0.61 -0.09 0.41 0.15 -1.20 -4.58 113.70 105.30 1otc s SER 120 Ca 0.00 1.09 -0.04 0.00 0.70 0.00 0.00 55.95 57.70 1otc s SER 120 Cb 0.00 1.08 0.05 0.00 -1.71 0.00 0.00 66.02 65.43 1otc s SER 120 CO 0.00 -0.21 0.19 0.72 1.20 0.00 0.00 173.24 175.14 1otc s PHE 121 N 1.71 -0.25 -0.18 3.44 -0.71 -1.26 -0.01 117.98 120.72 1otc s PHE 121 Ca -0.08 0.66 -0.04 0.00 -1.04 0.00 0.00 56.93 56.42 1otc s PHE 121 Cb -0.08 -0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.62 1otc s PHE 121 CO -0.15 -0.23 -0.02 -1.59 -1.34 0.00 0.00 175.22 171.89 1otc s LYS 122 N 1.59 3.66 -0.04 1.99 -2.85 -0.42 -4.87 119.74 118.80 1otc s LYS 122 Ca -0.05 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.10 1otc s LYS 122 Cb -0.11 -3.00 -0.03 0.00 -2.06 0.00 0.00 37.83 32.63 1otc s LYS 122 CO -0.07 0.14 1.13 -2.14 0.10 0.00 0.00 175.35 174.51 1otc s PRO 123 N 0.64 4.41 -0.33 1.78 0.02 -1.26 -0.98 135.00 139.28 1otc s PRO 123 Ca -0.01 1.60 -0.08 0.00 0.02 0.00 0.00 61.00 62.52 1otc s PRO 123 Cb -0.14 -3.51 0.02 0.00 0.02 0.00 0.00 34.50 30.89 1otc s PRO 123 CO 0.02 -0.33 0.13 -0.80 -0.33 0.00 0.00 177.00 175.69 1otc s ASN 124 N 1.26 5.41 0.25 2.53 0.01 -0.82 -4.98 114.94 118.61 1otc s ASN 124 Ca 0.54 -0.88 0.09 0.00 -0.71 0.00 0.00 52.86 51.90 1otc s ASN 124 Cb -0.24 -1.94 0.27 0.00 0.41 0.00 0.00 41.25 39.76 1otc s ASN 124 CO 0.23 -0.29 1.57 0.25 -1.51 0.00 0.00 177.10 177.35 1otc h LEU 125 N 8.30 0.06 -4.17 0.60 5.85 -1.96 -3.36 115.31 120.64 1otc h LEU 125 Ca -0.28 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.28 1otc h LEU 125 Cb 1.11 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1otc h LEU 125 CO 0.62 0.70 -0.13 0.00 -0.34 0.00 0.00 178.44 179.29 1otc n GLN 126 N -3.77 1.38 -3.84 1.25 10.64 -1.26 -4.75 117.38 117.03 1otc n GLN 126 Ca -0.01 -0.65 -0.13 0.00 -1.83 0.00 0.00 57.00 54.37 1otc n GLN 126 Cb 0.65 -1.79 -0.15 0.00 -0.86 0.00 0.00 30.24 28.10 1otc n GLN 126 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1otc s GLU 127 N 1.44 -0.01 0.00 2.61 0.41 -1.26 -5.11 118.70 116.79 1otc s GLU 127 Ca 0.44 0.07 0.00 0.00 -0.41 0.00 0.00 54.97 55.06 1otc s GLU 127 Cb 0.21 -0.08 0.00 0.00 -1.78 0.00 0.00 34.13 32.48 1otc s GLU 127 CO 0.00 -0.06 0.00 -2.13 -0.49 0.00 0.00 175.26 172.58 1otc n ARG 128 N 3.45 3.49 -2.04 1.61 0.63 -1.26 -4.63 116.66 117.91 1otc n ARG 128 Ca -0.17 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.33 1otc n ARG 128 Cb 0.57 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.45 1otc n ARG 128 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1otc s LEU 129 N 0.00 4.34 0.00 6.15 2.96 -1.26 -4.88 118.68 125.99 1otc s LEU 129 Ca 0.00 2.34 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 1otc s LEU 129 Cb 0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.13 1otc s LEU 129 CO 0.00 -0.83 0.17 -0.46 -1.32 0.00 0.00 176.35 173.91 1otc n ASN 130 N 5.56 0.00 -4.73 3.68 0.23 -1.26 -5.11 115.26 113.63 1otc n ASN 130 Ca 0.15 -1.00 -0.42 0.00 -0.53 0.00 0.00 54.58 52.78 1otc n ASN 130 Cb 0.42 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.09 1otc n ASN 130 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1otc s PRO 131 N 0.00 4.18 0.65 -0.53 0.04 -1.26 -4.85 135.00 133.23 1otc s PRO 131 Ca 0.00 2.47 0.37 0.00 0.04 0.00 0.00 61.00 63.87 1otc s PRO 131 Cb 0.00 -3.10 2.02 0.00 0.04 0.00 0.00 34.50 33.45 1otc s PRO 131 CO 0.00 -0.63 2.17 1.79 0.04 0.00 0.00 177.00 180.36 1otc h THR 132 N 3.79 0.08 -2.76 1.26 1.35 -1.95 -3.44 112.91 111.25 1otc h THR 132 Ca -0.44 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.51 1otc h THR 132 Cb 1.21 0.85 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 1otc h THR 132 CO 0.89 0.00 0.36 0.00 -0.25 0.00 0.00 175.52 176.52 1otc s ARG 133 N -4.22 1.69 -0.13 4.72 1.70 -1.25 -5.11 118.95 116.34 1otc s ARG 133 Ca -0.04 -1.01 -0.29 0.00 -0.47 0.00 0.00 55.73 53.92 1otc s ARG 133 Cb 0.12 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.99 1otc s ARG 133 CO 0.38 -0.78 1.46 -0.47 -1.08 0.00 0.00 175.30 174.81 1otc s TYR 134 N -3.04 2.41 0.40 5.89 5.04 -1.26 -4.87 117.35 121.92 1otc s TYR 134 Ca 0.14 0.62 -0.27 0.00 -2.44 0.00 0.00 57.07 55.13 1otc s TYR 134 Cb -0.04 -3.73 -0.10 0.00 0.35 0.00 0.00 41.96 38.44 1otc s TYR 134 CO 0.07 -2.70 1.40 -1.25 -1.34 0.00 0.00 175.55 171.73 1otc s PRO 135 N 3.86 4.00 0.26 4.97 0.04 -1.26 -4.99 135.00 141.87 1otc s PRO 135 Ca 0.64 2.38 0.11 0.00 0.04 0.00 0.00 61.00 64.17 1otc s PRO 135 Cb -0.26 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1otc s PRO 135 CO 0.22 -0.55 -0.12 0.14 0.04 0.00 0.00 177.00 176.73 1otc s VAL 136 N -1.18 2.88 -0.03 -0.36 -7.23 -1.21 -4.85 120.40 108.42 1otc s VAL 136 Ca 0.55 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 1otc s VAL 136 Cb -0.43 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 33.94 1otc s VAL 136 CO 0.56 -0.35 1.59 0.21 -0.31 0.00 0.00 175.10 176.81 1otc s ASN 137 N -3.47 6.70 0.39 4.85 3.84 -1.26 -1.54 114.94 124.44 1otc s ASN 137 Ca 0.30 2.23 0.10 0.00 0.21 0.00 0.00 52.86 55.70 1otc s ASN 137 Cb -0.06 -2.54 0.89 0.00 -0.55 0.00 0.00 41.25 38.98 1otc s ASN 137 CO 0.16 -0.88 1.92 0.25 -2.79 0.00 0.00 177.10 175.77 1otc h LEU 138 N 9.63 0.55 -0.73 3.21 5.85 -1.93 -0.26 115.31 131.63 1otc h LEU 138 Ca -0.39 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1otc h LEU 138 Cb 1.18 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1otc h LEU 138 CO 0.94 0.31 0.00 0.49 -0.34 0.00 0.00 178.44 179.84 1otc n PHE 139 N -4.50 0.13 -0.12 1.25 3.01 -1.26 -2.64 117.46 113.32 1otc n PHE 139 Ca 0.14 -0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1otc n PHE 139 Cb 0.40 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1otc n PHE 139 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1otc n ARG 140 N -0.13 1.43 -2.48 -1.08 5.12 -0.12 -4.73 116.66 114.67 1otc n ARG 140 Ca 0.02 -0.27 -0.39 0.00 -1.93 0.00 0.00 57.85 55.28 1otc n ARG 140 Cb 0.19 -0.73 -0.04 0.00 -1.16 0.00 0.00 32.46 30.72 1otc n ARG 140 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1otc s ASP 141 N -0.28 7.12 0.01 0.55 2.15 -1.08 -4.94 116.67 120.19 1otc s ASP 141 Ca 0.00 2.22 -0.05 0.00 0.43 0.00 0.00 52.55 55.15 1otc s ASP 141 Cb 0.00 -2.62 -0.02 0.00 -0.30 0.00 0.00 42.92 39.98 1otc s ASP 141 CO 0.00 -0.25 1.08 -0.78 -0.17 0.00 0.00 175.17 175.05 1otc h ASP 142 N 3.47 -0.22 -0.66 -0.34 1.82 -1.95 -0.16 116.42 118.38 1otc h ASP 142 Ca -0.47 0.02 0.12 0.00 -0.39 0.00 0.00 57.03 56.31 1otc h ASP 142 Cb 1.21 0.08 -0.09 0.00 0.68 0.00 0.00 39.33 41.22 1otc h ASP 142 CO 0.66 -0.09 0.22 -0.33 -1.61 0.00 0.00 179.24 178.09 1otc h GLU 143 N -0.12 0.35 -0.31 0.28 5.08 -1.97 -2.16 114.58 115.73 1otc h GLU 143 Ca -0.00 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1otc h GLU 143 Cb 0.11 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1otc h GLU 143 CO -0.03 0.23 -0.22 0.35 -1.00 0.00 0.00 179.01 178.35 1otc h PHE 144 N 0.37 0.66 -0.13 4.33 3.57 -1.85 -0.73 116.94 123.14 1otc h PHE 144 Ca 0.35 -0.14 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 1otc h PHE 144 Cb 0.50 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1otc h PHE 144 CO -0.20 0.76 -0.27 0.87 -2.23 0.00 0.00 178.31 177.25 1otc h LYS 145 N 0.52 0.25 0.01 1.11 1.57 -0.42 -2.44 116.57 117.16 1otc h LYS 145 Ca 0.08 -0.08 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1otc h LYS 145 Cb 0.66 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1otc h LYS 145 CO 0.05 0.50 -0.87 1.15 -0.57 0.00 0.00 179.45 179.71 1otc h THR 146 N 0.22 1.54 -0.31 -0.16 2.02 -1.03 -2.28 112.91 112.91 1otc h THR 146 Ca 0.03 -2.75 -0.03 0.00 0.77 0.00 0.00 66.41 64.44 1otc h THR 146 Cb 0.59 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.51 1otc h THR 146 CO 0.04 0.79 0.05 0.74 0.37 0.00 0.00 175.52 177.52 1otc h THR 147 N 0.06 1.16 0.09 3.16 2.02 -0.68 -0.61 112.91 118.11 1otc h THR 147 Ca -0.03 -0.59 -0.26 0.00 0.77 0.00 0.00 66.41 66.31 1otc h THR 147 Cb 1.51 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1otc h THR 147 CO 0.12 0.21 -1.16 0.40 0.37 0.00 0.00 175.52 175.46 1otc h ILE 148 N 0.45 1.52 -0.73 3.11 2.04 -1.36 -2.90 117.51 119.65 1otc h ILE 148 Ca 0.11 -3.02 -0.04 0.00 1.00 0.00 0.00 64.86 62.90 1otc h ILE 148 Cb 0.21 2.85 -0.03 0.00 -0.74 0.00 0.00 36.82 39.11 1otc h ILE 148 CO -0.00 0.88 0.28 1.56 0.00 0.00 0.00 178.15 180.87 1otc h GLN 149 N 0.08 1.08 -0.63 2.37 1.08 -0.78 -1.60 115.11 116.71 1otc h GLN 149 Ca -0.11 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 56.82 1otc h GLN 149 Cb 1.88 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 29.11 1otc h GLN 149 CO 0.19 0.88 0.08 1.25 -0.95 0.00 0.00 178.83 180.28 1otc h HIS 150 N 1.05 1.12 -0.31 2.96 2.76 -1.16 -0.62 115.15 120.96 1otc h HIS 150 Ca 0.24 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1otc h HIS 150 Cb 0.21 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1otc h HIS 150 CO 0.02 0.96 0.20 0.35 -1.30 0.00 0.00 177.93 178.15 1otc h PHE 151 N 0.96 0.39 0.00 5.26 3.57 -1.19 -1.87 116.94 124.06 1otc h PHE 151 Ca 0.19 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 1otc h PHE 151 Cb 0.46 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1otc h PHE 151 CO 0.03 0.26 -0.47 0.00 -2.23 0.00 0.00 178.31 175.90 1otc h ARG 152 N 0.41 0.00 0.17 1.11 3.08 -1.20 -2.94 114.38 115.01 1otc h ARG 152 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1otc h ARG 152 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1otc h ARG 152 CO -0.02 0.47 -0.08 1.25 -1.07 0.00 0.00 179.97 180.52 1otc h HIS 153 N 0.00 -0.21 0.00 3.04 2.76 -0.70 -0.23 115.15 119.81 1otc h HIS 153 Ca -0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1otc h HIS 153 Cb 1.01 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 30.04 1otc h HIS 153 CO 0.00 0.11 -0.14 1.79 -1.30 0.00 0.00 177.93 178.39 1otc h THR 154 N -0.54 0.49 0.06 6.26 1.35 -1.41 0.13 112.91 119.25 1otc h THR 154 Ca -0.02 -0.72 -0.26 0.00 -0.55 0.00 0.00 66.41 64.86 1otc h THR 154 Cb 0.41 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 1otc h THR 154 CO 0.04 0.14 -1.26 0.00 -0.25 0.00 0.00 175.52 174.19 1otc h ALA 155 N 1.86 0.32 0.06 6.62 0.00 -1.43 -2.63 119.26 124.05 1otc h ALA 155 Ca -0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 54.91 53.67 1otc h ALA 155 Cb 0.48 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1otc h ALA 155 CO 0.02 1.19 -0.94 1.25 0.00 0.00 0.00 179.25 180.78 1otc h LEU 156 N 0.03 0.71 -1.22 0.00 5.85 -0.61 -2.48 115.31 117.60 1otc h LEU 156 Ca -0.12 -0.81 -0.06 0.00 0.84 0.00 0.00 57.88 57.73 1otc h LEU 156 Cb 1.90 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 1otc h LEU 156 CO 0.15 1.44 -0.10 -0.61 -0.34 0.00 0.00 178.44 178.98 1otc h GLN 157 N 0.08 0.42 -0.03 1.25 4.15 -0.85 0.13 115.11 120.24 1otc h GLN 157 Ca -0.13 -0.11 -0.16 0.00 0.77 0.00 0.00 58.65 59.02 1otc h GLN 157 Cb 1.64 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 29.29 1otc h GLN 157 CO 0.18 0.53 -0.61 0.00 -1.93 0.00 0.00 178.83 177.00 1otc h ALA 158 N 1.51 0.12 0.00 3.38 0.00 -1.52 -2.62 119.26 120.12 1otc h ALA 158 Ca 0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1otc h ALA 158 Cb 0.42 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1otc h ALA 158 CO 0.02 0.39 -0.13 0.00 0.00 0.00 0.00 179.25 179.53 1otc h ALA 159 N 0.38 1.03 0.09 0.00 0.00 -1.25 -3.13 119.26 116.38 1otc h ALA 159 Ca -0.07 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 1otc h ALA 159 Cb 1.30 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1otc h ALA 159 CO 0.12 0.16 -0.74 0.82 0.00 0.00 0.00 179.25 179.61 1otc h ILE 160 N 0.00 1.48 0.00 0.00 1.08 -0.97 -2.86 117.51 116.25 1otc h ILE 160 Ca -0.00 -2.38 0.00 0.00 -0.39 0.00 0.00 64.86 62.09 1otc h ILE 160 Cb 0.63 2.99 0.00 0.00 -3.07 0.00 0.00 36.82 37.38 1otc h ILE 160 CO 0.02 0.68 0.00 0.59 -0.69 0.00 0.00 178.15 178.75 1otc n ASN 161 N -4.16 0.05 -0.05 1.72 4.13 -0.99 -1.64 115.26 114.32 1otc n ASN 161 Ca -0.13 0.52 -0.02 0.00 1.68 0.00 0.00 54.58 56.63 1otc n ASN 161 Cb 0.77 -0.53 -0.13 0.00 -1.54 0.00 0.00 39.78 38.36 1otc n ASN 161 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1otc n LYS 162 N -1.56 1.13 -0.08 3.52 2.85 -1.20 -4.70 118.16 118.11 1otc n LYS 162 Ca 0.03 -0.06 -0.13 0.00 -1.05 0.00 0.00 58.31 57.10 1otc n LYS 162 Cb 0.14 -1.40 -0.08 0.00 -0.65 0.00 0.00 35.03 33.04 1otc n LYS 162 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1otc h THR 163 N 0.00 0.75 -3.61 0.58 2.02 -1.25 -3.44 112.91 107.97 1otc h THR 163 Ca -0.27 -1.76 -0.56 0.00 0.77 0.00 0.00 66.41 64.58 1otc h THR 163 Cb 1.54 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 69.50 1otc h THR 163 CO 0.01 0.25 0.96 -0.69 0.37 0.00 0.00 175.52 176.42 1otc s VAL 164 N -2.19 4.14 0.25 3.16 1.01 -0.65 -5.00 120.40 121.11 1otc s VAL 164 Ca -0.19 1.15 0.10 0.00 0.00 0.00 0.00 61.98 63.04 1otc s VAL 164 Cb 0.02 -4.56 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 1otc s VAL 164 CO 0.44 -1.01 -0.18 -0.54 0.00 0.00 0.00 175.10 173.81 1otc s LYS 165 N 4.59 1.55 0.00 2.72 1.02 -1.26 -4.78 119.74 123.58 1otc s LYS 165 Ca 0.50 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.78 1otc s LYS 165 Cb -0.08 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 1otc s LYS 165 CO 0.32 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.43 1otc n GLY 166 N -0.53 1.33 3.50 -3.33 0.00 -1.26 -4.37 105.19 100.53 1otc n GLY 166 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1otc n GLY 166 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1otc n ASP 167 N 0.00 -5.64 -4.57 1.61 8.00 -1.26 -4.85 116.55 109.84 1otc n ASP 167 Ca 0.00 -0.88 -0.38 0.00 0.71 0.00 0.00 54.79 54.24 1otc n ASP 167 Cb 0.00 -4.18 -0.03 0.00 -0.02 0.00 0.00 41.12 36.89 1otc n ASP 167 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1otc s ASN 168 N -3.49 6.22 0.44 -2.24 2.47 -1.26 -4.98 114.94 112.11 1otc s ASN 168 Ca 0.44 -1.75 -0.20 0.00 0.42 0.00 0.00 52.86 51.76 1otc s ASN 168 Cb -0.12 -2.58 -0.11 0.00 -1.45 0.00 0.00 41.25 37.00 1otc s ASN 168 CO 0.81 -1.79 0.95 -0.76 -3.72 0.00 0.00 177.10 172.60 1otc s LEU 169 N 6.29 3.90 0.15 3.21 1.43 -1.26 -5.02 118.68 127.39 1otc s LEU 169 Ca 0.56 1.68 -0.30 0.00 -1.03 0.00 0.00 54.13 55.03 1otc s LEU 169 Cb 0.00 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.61 1otc s LEU 169 CO 0.01 -0.39 1.28 -0.69 0.23 0.00 0.00 176.35 176.80 1otc s VAL 170 N -2.23 3.46 0.08 -1.59 1.01 -1.26 -4.93 120.40 114.94 1otc s VAL 170 Ca 0.62 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 63.43 1otc s VAL 170 Cb -0.09 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1otc s VAL 170 CO 0.15 0.14 1.74 -0.62 0.00 0.00 0.00 175.10 176.51 1otc s ASP 171 N 0.60 6.53 0.64 3.32 -1.08 -1.26 -4.85 116.67 120.56 1otc s ASP 171 Ca 0.58 2.59 0.35 0.00 -0.52 0.00 0.00 52.55 55.55 1otc s ASP 171 Cb -0.34 -2.56 1.91 0.00 -1.46 0.00 0.00 42.92 40.46 1otc s ASP 171 CO 0.34 -0.94 2.13 -0.29 0.52 0.00 0.00 175.17 176.93 1otc h ILE 172 N 4.86 0.15 -0.26 4.11 2.10 -2.01 -1.77 117.51 124.69 1otc h ILE 172 Ca -0.44 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.43 1otc h ILE 172 Cb 1.21 0.83 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 1otc h ILE 172 CO 0.94 0.00 -0.13 0.77 -1.08 0.00 0.00 178.15 178.65 1otc h SER 173 N 0.00 0.42 0.84 2.19 4.64 -1.91 -1.47 113.55 118.25 1otc h SER 173 Ca 0.03 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1otc h SER 173 Cb 0.40 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1otc h SER 173 CO -0.00 0.58 0.00 0.11 -0.87 0.00 0.00 176.83 176.65 1otc h LYS 174 N 0.40 0.00 0.00 4.77 1.57 -1.70 -3.03 116.57 118.58 1otc h LYS 174 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1otc h LYS 174 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1otc h LYS 174 CO 0.03 0.00 -1.23 0.28 -0.57 0.00 0.00 179.45 177.95 1otc n VAL 175 N -2.41 0.00 -2.98 0.50 0.31 -0.90 -4.80 118.33 108.06 1otc n VAL 175 Ca 0.02 -0.26 -0.40 0.00 -0.01 0.00 0.00 64.34 63.68 1otc n VAL 175 Cb 0.26 0.49 -0.04 0.00 -0.91 0.00 0.00 33.84 33.64 1otc n VAL 175 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1otc s ALA 176 N -2.65 3.36 -1.17 3.52 0.00 -0.60 -3.91 121.76 120.30 1otc s ALA 176 Ca -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 1otc s ALA 176 Cb 0.09 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1otc s ALA 176 CO 0.54 -0.26 0.92 -0.25 0.00 0.00 0.00 175.76 176.70 1otc n ASP 177 N 4.18 -3.34 0.31 0.00 8.00 -1.26 -4.88 116.55 119.55 1otc n ASP 177 Ca 0.01 -0.70 0.19 0.00 0.71 0.00 0.00 54.79 55.00 1otc n ASP 177 Cb 0.51 -4.90 1.04 0.00 -0.02 0.00 0.00 41.12 37.74 1otc n ASP 177 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1otc h ALA 178 N 0.62 1.30 -0.92 2.24 0.00 -1.87 -3.32 119.26 117.31 1otc h ALA 178 Ca -0.60 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.39 1otc h ALA 178 Cb 1.34 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.02 1otc h ALA 178 CO 0.49 -0.10 -0.55 0.00 0.00 0.00 0.00 179.25 179.09 1otc h ALA 179 N 1.87 -0.52 0.00 0.00 0.00 -1.94 0.19 119.26 118.85 1otc h ALA 179 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1otc h ALA 179 Cb 0.18 1.35 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1otc h ALA 179 CO -0.00 -0.91 0.00 0.41 0.00 0.00 0.00 179.25 178.75 1otc n GLY 180 N -1.24 -0.83 3.51 0.00 0.00 -1.25 -4.73 105.19 100.66 1otc n GLY 180 Ca 0.02 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1otc n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1otc s LYS 181 N -2.41 3.22 -0.08 1.61 1.02 0.67 -5.10 119.74 118.66 1otc s LYS 181 Ca 0.21 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 55.66 1otc s LYS 181 Cb 0.13 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.73 1otc s LYS 181 CO 0.27 0.42 -0.13 0.21 -0.92 0.00 0.00 175.35 175.21 1otc s LYS 182 N -0.16 1.82 0.20 1.68 2.47 -1.26 -4.91 119.74 119.58 1otc s LYS 182 Ca 0.02 -0.43 0.03 0.00 -1.56 0.00 0.00 55.97 54.02 1otc s LYS 182 Cb -0.13 -1.55 -0.05 0.00 -1.46 0.00 0.00 37.83 34.64 1otc s LYS 182 CO 0.03 -0.02 0.00 0.20 0.16 0.00 0.00 175.35 175.72 1otc s GLY 183 N 0.85 1.39 -0.11 5.54 0.00 -1.26 -5.14 107.32 108.60 1otc s GLY 183 Ca -0.11 -1.68 -0.15 0.00 0.00 0.00 0.00 44.72 42.78 1otc s GLY 183 CO 0.01 -1.60 0.36 0.54 0.00 0.00 0.00 173.10 172.42 1otc s LYS 184 N -3.89 4.15 0.62 2.90 1.02 -1.26 -4.98 119.74 118.29 1otc s LYS 184 Ca 0.26 0.25 0.30 0.00 0.02 0.00 0.00 55.97 56.81 1otc s LYS 184 Cb 0.06 -3.36 1.66 0.00 -0.52 0.00 0.00 37.83 35.66 1otc s LYS 184 CO 0.07 0.36 2.00 0.28 -0.92 0.00 0.00 175.35 177.14 1otc h VAL 185 N 4.41 0.25 -1.09 3.17 2.07 -2.05 -2.89 116.25 120.11 1otc h VAL 185 Ca -0.45 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.39 1otc h VAL 185 Cb 1.19 0.73 -0.12 0.00 -1.52 0.00 0.00 31.29 31.57 1otc h VAL 185 CO 0.71 0.00 0.68 0.44 0.02 0.00 0.00 177.57 179.42 1otc h ASP 186 N 0.00 0.44 -1.05 0.57 3.32 -1.98 -1.66 116.42 116.06 1otc h ASP 186 Ca 0.09 0.13 0.27 0.00 0.02 0.00 0.00 57.03 57.53 1otc h ASP 186 Cb 0.71 0.07 -0.11 0.00 0.22 0.00 0.00 39.33 40.22 1otc h ASP 186 CO -0.00 -0.02 0.66 0.00 -1.72 0.00 0.00 179.24 178.15 1otc h ALA 187 N 1.68 2.14 0.00 3.45 0.00 -1.94 -1.10 119.26 123.49 1otc h ALA 187 Ca 0.68 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.66 1otc h ALA 187 Cb 1.76 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1otc h ALA 187 CO -0.41 -0.59 -0.07 0.78 0.00 0.00 0.00 179.25 178.96 1otc h GLY 188 N 0.42 0.00 -4.12 0.00 0.00 -1.57 -3.45 103.07 94.35 1otc h GLY 188 Ca 0.63 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.43 1otc h GLY 188 CO -0.36 0.00 0.61 -0.42 0.00 0.00 0.00 176.54 176.37 1otc s ILE 189 N -3.61 3.25 -0.04 2.60 1.01 -0.42 -5.04 121.20 118.96 1otc s ILE 189 Ca 0.02 1.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.74 1otc s ILE 189 Cb 0.09 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.90 1otc s ILE 189 CO 0.59 0.19 0.08 -0.69 0.00 0.00 0.00 174.94 175.11 1otc s VAL 190 N -0.24 -0.10 0.28 2.92 1.01 -1.26 -5.09 120.40 117.91 1otc s VAL 190 Ca 0.53 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 1otc s VAL 190 Cb -0.36 -0.16 -0.11 0.00 0.00 0.00 0.00 36.38 35.75 1otc s VAL 190 CO 0.40 0.12 1.56 -0.54 0.00 0.00 0.00 175.10 176.64 1otc s LYS 191 N 1.59 4.16 0.25 2.72 -0.14 -1.26 -4.93 119.74 122.12 1otc s LYS 191 Ca -0.03 2.51 0.17 0.00 -1.36 0.00 0.00 55.97 57.25 1otc s LYS 191 Cb -0.12 -3.05 0.05 0.00 -1.68 0.00 0.00 37.83 33.03 1otc s LYS 191 CO -0.04 -0.58 1.32 0.00 -0.76 0.00 0.00 175.35 175.28 1otc h ALA 192 N 4.97 0.69 -2.77 5.17 0.00 -1.99 -3.45 119.26 121.88 1otc h ALA 192 Ca -0.47 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1otc h ALA 192 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1otc h ALA 192 CO 0.79 0.58 0.00 -1.13 0.00 0.00 0.00 179.25 179.50 1otc n SER 193 N -3.11 0.00 -4.56 0.00 3.41 -1.26 -3.80 113.62 104.30 1otc n SER 193 Ca -0.00 -0.20 -0.25 0.00 -0.26 0.00 0.00 58.87 58.16 1otc n SER 193 Cb 0.72 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.62 1otc n SER 193 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1otc s ALA 194 N -1.00 1.47 0.13 7.33 0.00 -1.26 -4.91 121.76 123.51 1otc s ALA 194 Ca 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 51.96 50.52 1otc s ALA 194 Cb 0.00 -4.52 -0.09 0.00 0.00 0.00 0.00 23.12 18.51 1otc s ALA 194 CO 0.00 -4.97 1.57 -1.54 0.00 0.00 0.00 175.76 170.82 1otc s SER 195 N 9.04 6.62 -0.03 0.00 1.04 -1.26 -4.86 113.70 124.24 1otc s SER 195 Ca 0.77 2.54 0.05 0.00 0.48 0.00 0.00 55.95 59.79 1otc s SER 195 Cb -0.10 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.51 1otc s SER 195 CO 0.06 -0.83 1.01 0.29 0.98 0.00 0.00 173.24 174.75 1otc n LYS 196 N 4.46 0.38 -2.36 4.02 5.02 -1.26 -5.09 118.16 123.34 1otc n LYS 196 Ca 0.14 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.05 1otc n LYS 196 Cb 0.39 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 1otc n LYS 196 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1otc n GLY 197 N -0.38 -0.15 0.09 0.72 0.00 -1.26 -4.94 105.19 99.28 1otc n GLY 197 Ca 0.04 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 1otc n GLY 197 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1otc h ASP 198 N 0.00 0.30 -2.76 1.61 3.32 -2.02 -3.45 116.42 113.42 1otc h ASP 198 Ca 0.00 -0.33 -0.54 0.00 0.02 0.00 0.00 57.03 56.18 1otc h ASP 198 Cb 0.00 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.47 1otc h ASP 198 CO 0.00 1.26 0.95 -0.70 -1.72 0.00 0.00 179.24 179.03 1otc s GLU 199 N -2.66 4.22 -0.02 3.56 2.56 -1.26 -4.98 118.70 120.12 1otc s GLU 199 Ca -0.03 2.21 -0.30 0.00 0.00 0.00 0.00 54.97 56.85 1otc s GLU 199 Cb 0.08 -3.59 -0.04 0.00 2.00 0.00 0.00 34.13 32.58 1otc s GLU 199 CO 0.86 -0.68 1.19 0.12 -0.56 0.00 0.00 175.26 176.19 1otc s PHE 200 N 2.57 3.28 0.00 5.30 5.36 -1.26 -4.75 117.98 128.48 1otc s PHE 200 Ca 0.71 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.94 1otc s PHE 200 Cb -0.37 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 38.90 1otc s PHE 200 CO 0.30 -1.24 0.81 -1.13 -1.46 0.00 0.00 175.22 172.51 1otc n SER 201 N 4.80 0.00 -4.06 6.13 3.41 -1.26 -4.98 113.62 117.66 1otc n SER 201 Ca 0.10 -1.64 -0.42 0.00 -0.26 0.00 0.00 58.87 56.66 1otc n SER 201 Cb 0.46 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 1otc n SER 201 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1otc n ASP 202 N 0.00 4.03 -4.70 4.04 -0.08 -1.26 -4.91 116.55 113.66 1otc n ASP 202 Ca 0.00 -2.84 -0.30 0.00 -1.51 0.00 0.00 54.79 50.14 1otc n ASP 202 Cb 0.63 -1.64 -0.08 0.00 2.34 0.00 0.00 41.12 42.37 1otc n ASP 202 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1otc s PHE 203 N 4.29 3.04 -0.28 -0.67 0.08 -1.26 -4.84 117.98 118.34 1otc s PHE 203 Ca 0.52 0.00 0.11 0.00 0.12 0.00 0.00 56.93 57.68 1otc s PHE 203 Cb 0.10 -1.56 0.64 0.00 -0.57 0.00 0.00 43.02 41.62 1otc s PHE 203 CO 0.01 0.49 1.64 -1.13 -0.10 0.00 0.00 175.22 176.13 1otc n SER 204 N 0.61 4.07 -4.81 1.36 3.41 -1.26 -4.99 113.62 112.00 1otc n SER 204 Ca -0.11 -3.30 -0.33 0.00 -0.26 0.00 0.00 58.87 54.87 1otc n SER 204 Cb 0.52 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 1otc n SER 204 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1otc s PHE 205 N -3.02 3.35 -0.58 7.33 -0.12 -1.26 -5.04 117.98 118.64 1otc s PHE 205 Ca 0.50 0.25 -0.27 0.00 -0.05 0.00 0.00 56.93 57.35 1otc s PHE 205 Cb 0.41 -1.76 -0.00 0.00 -0.63 0.00 0.00 43.02 41.04 1otc s PHE 205 CO 0.09 0.58 1.60 0.15 -0.05 0.00 0.00 175.22 177.59 1otc s LYS 206 N -1.77 3.04 0.40 1.99 1.02 -1.26 -4.96 119.74 118.20 1otc s LYS 206 Ca 0.24 0.52 -0.27 0.00 0.02 0.00 0.00 55.97 56.48 1otc s LYS 206 Cb -0.12 -4.24 -0.10 0.00 -0.52 0.00 0.00 37.83 32.85 1otc s LYS 206 CO 0.15 -2.25 1.46 -2.00 -0.92 0.00 0.00 175.35 171.79 1otc s GLU 207 N 6.11 3.96 0.09 1.68 2.12 -1.26 -4.73 118.70 126.67 1otc s GLU 207 Ca 0.58 2.51 -0.31 0.00 0.36 0.00 0.00 54.97 58.11 1otc s GLU 207 Cb -0.12 -2.86 -0.07 0.00 0.26 0.00 0.00 34.13 31.34 1otc s GLU 207 CO 0.23 -0.63 1.30 0.20 -0.54 0.00 0.00 175.26 175.82 1otc s GLY 208 N -0.29 2.17 -0.39 -1.50 0.00 -0.01 -4.96 107.32 102.34 1otc s GLY 208 Ca 0.56 0.99 0.11 0.00 0.00 0.00 0.00 44.72 46.38 1otc s GLY 208 CO 0.60 2.21 0.99 1.16 0.00 0.00 0.00 173.10 178.06 1otc n ASN 209 N 3.94 2.93 -4.36 1.64 6.94 -1.26 -4.91 115.26 120.18 1otc n ASN 209 Ca 0.10 -3.22 -0.36 0.00 -0.02 0.00 0.00 54.58 51.08 1otc n ASN 209 Cb 0.44 -0.51 -0.13 0.00 -2.36 0.00 0.00 39.78 37.22 1otc n ASN 209 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1otc s THR 210 N -4.13 3.89 0.14 5.53 2.01 -1.26 -5.07 115.64 116.75 1otc s THR 210 Ca 0.38 -0.52 -0.33 0.00 0.31 0.00 0.00 61.69 61.53 1otc s THR 210 Cb 0.41 -2.90 -0.13 0.00 0.01 0.00 0.00 72.50 69.89 1otc s THR 210 CO -0.08 0.23 1.66 0.00 -0.69 0.00 0.00 174.62 175.75 1otc n ALA 211 N 4.86 1.66 -2.45 7.40 0.00 -1.26 -4.99 120.51 125.73 1otc n ALA 211 Ca -0.16 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.45 1otc n ALA 211 Cb 0.49 -2.42 -0.10 0.00 0.00 0.00 0.00 19.45 17.42 1otc n ALA 211 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1otc s THR 212 N 1.50 2.38 -0.09 0.00 2.01 -1.26 -4.61 115.64 115.56 1otc s THR 212 Ca 0.80 -2.38 -0.27 0.00 0.31 0.00 0.00 61.69 60.15 1otc s THR 212 Cb -0.63 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 1otc s THR 212 CO 0.38 -0.42 0.89 -0.76 -0.69 0.00 0.00 174.62 174.03 1otc s LEU 213 N -3.47 4.27 -0.05 4.42 1.43 -0.28 -4.89 118.68 120.10 1otc s LEU 213 Ca 0.29 1.39 -0.28 0.00 -1.03 0.00 0.00 54.13 54.50 1otc s LEU 213 Cb -0.05 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 1otc s LEU 213 CO 0.14 -0.33 0.90 -0.54 0.23 0.00 0.00 176.35 176.74 1otc s LYS 214 N 1.61 4.48 0.56 1.70 1.02 -1.26 -4.62 119.74 123.24 1otc s LYS 214 Ca 0.44 1.24 0.46 0.00 0.02 0.00 0.00 55.97 58.13 1otc s LYS 214 Cb -0.18 -3.48 1.66 0.00 -0.52 0.00 0.00 37.83 35.31 1otc s LYS 214 CO 0.18 -0.08 1.62 0.97 -0.92 0.00 0.00 175.35 177.12 1otc h ILE 215 N 4.87 0.10 -0.39 2.17 -0.00 -1.95 0.28 117.51 122.59 1otc h ILE 215 Ca -0.39 0.00 -0.10 0.00 -0.00 0.00 0.00 64.86 64.37 1otc h ILE 215 Cb 1.20 0.10 -0.02 0.00 -0.00 0.00 0.00 36.82 38.10 1otc h ILE 215 CO 0.77 0.00 -0.18 0.00 -0.00 0.00 0.00 178.15 178.74 1otc h ALA 216 N 1.08 0.95 0.29 0.18 0.00 -1.91 -3.18 119.26 116.68 1otc h ALA 216 Ca 0.83 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1otc h ALA 216 Cb 3.38 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 21.02 1otc h ALA 216 CO -0.01 0.61 -0.14 -0.44 0.00 0.00 0.00 179.25 179.27 1otc h ASP 217 N 0.66 -0.34 0.07 0.00 3.32 -0.81 -2.27 116.42 117.05 1otc h ASP 217 Ca 0.10 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1otc h ASP 217 Cb 0.67 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1otc h ASP 217 CO 0.05 -0.16 0.00 2.30 -1.72 0.00 0.00 179.24 179.71 1otc n ILE 218 N -5.22 0.38 -0.11 0.35 -5.35 -1.22 -0.52 119.36 107.66 1otc n ILE 218 Ca -0.10 0.10 -0.20 0.00 -0.27 0.00 0.00 62.75 62.28 1otc n ILE 218 Cb 0.20 -0.95 -0.08 0.00 -1.74 0.00 0.00 39.64 37.07 1otc n ILE 218 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1otc n PHE 219 N -1.13 0.36 0.09 4.28 7.35 -1.00 -4.08 117.46 123.32 1otc n PHE 219 Ca 0.05 0.16 -0.02 0.00 -0.76 0.00 0.00 57.45 56.88 1otc n PHE 219 Cb 0.05 -0.88 0.24 0.00 0.35 0.00 0.00 39.48 39.24 1otc n PHE 219 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1otc h VAL 220 N -1.00 1.28 -0.77 -2.13 2.07 -1.14 -2.82 116.25 111.74 1otc h VAL 220 Ca -0.37 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 65.78 1otc h VAL 220 Cb 1.25 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 1otc h VAL 220 CO -0.22 0.42 0.51 -0.61 0.02 0.00 0.00 177.57 177.69 1otc h GLN 221 N 0.24 1.00 -0.02 1.57 4.15 -1.02 -3.51 115.11 117.50 1otc h GLN 221 Ca 0.03 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1otc h GLN 221 Cb 0.73 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1otc h GLN 221 CO 0.06 0.66 0.00 0.39 -1.93 0.00 0.00 178.83 178.00