#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdi s ASN 22 N 0.00 6.86 -0.41 1.61 0.01 -1.26 -5.01 114.94 116.74 3mdi s ASN 22 Ca 0.00 2.38 -0.17 0.00 -0.71 0.00 0.00 52.86 54.36 3mdi s ASN 22 Cb 0.00 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.08 3mdi s ASN 22 CO 0.00 -0.58 0.40 -0.54 -1.51 0.00 0.00 177.10 174.87 3mdi s LYS 23 N 0.36 3.13 -0.75 -0.60 3.01 -1.26 -5.02 119.74 118.61 3mdi s LYS 23 Ca 0.60 -0.77 -0.27 0.00 -1.01 0.00 0.00 55.97 54.52 3mdi s LYS 23 Cb -0.37 -3.95 0.02 0.00 -1.01 0.00 0.00 37.83 32.53 3mdi s LYS 23 CO 0.35 -0.79 1.37 0.71 0.51 0.00 0.00 175.35 177.50 3mdi s TYR 24 N 2.02 2.22 0.02 3.18 1.51 -1.26 -4.98 117.35 120.07 3mdi s TYR 24 Ca 0.10 -0.01 -0.30 0.00 -1.01 0.00 0.00 57.07 55.86 3mdi s TYR 24 Cb -0.17 -4.57 -0.08 0.00 -0.11 0.00 0.00 41.96 37.03 3mdi s TYR 24 CO 0.13 -2.09 1.79 0.42 -1.11 0.00 0.00 175.55 174.68 3mdi s ILE 25 N 6.11 3.14 0.50 2.71 1.01 -1.26 -5.02 121.20 128.39 3mdi s ILE 25 Ca 0.40 0.33 0.06 0.00 0.00 0.00 0.00 60.65 61.45 3mdi s ILE 25 Cb -0.08 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.19 3mdi s ILE 25 CO 0.14 -0.02 0.38 -1.10 0.00 0.00 0.00 174.94 174.34 3mdi s GLN 26 N 3.77 2.32 0.21 2.79 -1.52 -1.26 -5.07 119.66 120.89 3mdi s GLN 26 Ca 0.80 -1.87 -0.32 0.00 -1.95 0.00 0.00 55.36 52.02 3mdi s GLN 26 Cb -0.40 -2.17 -0.13 0.00 -0.22 0.00 0.00 33.01 30.10 3mdi s GLN 26 CO 0.35 -0.46 1.58 0.94 -0.25 0.00 0.00 175.29 177.45 3mdi n GLN 27 N -1.66 2.36 -0.04 2.91 7.27 -1.26 -4.91 117.38 122.05 3mdi n GLN 27 Ca 0.00 0.85 -0.13 0.00 0.07 0.00 0.00 57.00 57.79 3mdi n GLN 27 Cb 0.64 -2.61 -0.11 0.00 2.41 0.00 0.00 30.24 30.56 3mdi n GLN 27 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 3mdi h THR 28 N 3.49 1.58 -3.95 1.69 2.02 -2.00 -3.45 112.91 112.28 3mdi h THR 28 Ca -0.45 -1.71 -0.52 0.00 0.77 0.00 0.00 66.41 64.50 3mdi h THR 28 Cb 1.24 2.74 0.08 0.00 -1.74 0.00 0.00 68.15 70.47 3mdi h THR 28 CO 0.86 0.44 0.58 -0.54 0.37 0.00 0.00 175.52 177.23 3mdi s LYS 29 N -3.30 3.95 0.85 6.66 1.02 -1.26 -4.98 119.74 122.68 3mdi s LYS 29 Ca -0.17 2.07 -0.12 0.00 0.02 0.00 0.00 55.97 57.77 3mdi s LYS 29 Cb -0.01 -2.71 0.11 0.00 -0.52 0.00 0.00 37.83 34.70 3mdi s LYS 29 CO 0.68 -0.48 1.17 -2.14 -0.92 0.00 0.00 175.35 173.66 3mdi s PRO 30 N -2.29 1.45 0.54 -1.68 0.02 -1.26 -4.74 135.00 127.04 3mdi s PRO 30 Ca 0.58 1.62 0.32 0.00 0.02 0.00 0.00 61.00 63.54 3mdi s PRO 30 Cb -0.36 -1.77 1.42 0.00 0.02 0.00 0.00 34.50 33.81 3mdi s PRO 30 CO 0.46 -2.33 2.01 -0.07 -0.33 0.00 0.00 177.00 176.74 3mdi h LEU 31 N -1.30 0.00 -0.71 -5.54 4.07 -1.94 -1.19 115.31 108.70 3mdi h LEU 31 Ca -0.45 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.48 3mdi h LEU 31 Cb 1.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.01 3mdi h LEU 31 CO 0.45 0.06 -0.14 0.71 -1.08 0.00 0.00 178.44 178.43 3mdi h THR 32 N 0.00 0.30 0.00 0.22 1.35 -2.03 -3.30 112.91 109.45 3mdi h THR 32 Ca -0.00 -1.10 -0.36 0.00 -0.55 0.00 0.00 66.41 64.41 3mdi h THR 32 Cb 0.48 1.87 -0.07 0.00 -1.73 0.00 0.00 68.15 68.70 3mdi h THR 32 CO 0.01 0.14 -2.28 -0.11 -0.25 0.00 0.00 175.52 173.03 3mdi n LEU 33 N -3.20 0.18 -3.44 3.87 7.94 -0.70 -4.88 117.00 116.76 3mdi n LEU 33 Ca 0.02 0.07 -0.17 0.00 -1.11 0.00 0.00 56.01 54.82 3mdi n LEU 33 Cb 0.47 0.43 -0.11 0.00 0.53 0.00 0.00 43.42 44.74 3mdi n LEU 33 CO 0.33 0.49 -0.17 -0.70 -1.11 0.00 0.00 177.39 176.22 3mdi s GLU 34 N -2.51 0.25 -0.37 1.96 2.12 -0.53 -4.99 118.70 114.63 3mdi s GLU 34 Ca -0.09 0.16 -0.12 0.00 0.36 0.00 0.00 54.97 55.27 3mdi s GLU 34 Cb 0.06 -0.94 0.01 0.00 0.26 0.00 0.00 34.13 33.53 3mdi s GLU 34 CO 0.83 -0.76 0.23 1.03 -0.54 0.00 0.00 175.26 176.04 3mdi s ARG 35 N 2.37 3.07 -0.15 4.30 1.81 -1.25 -4.37 118.95 124.73 3mdi s ARG 35 Ca 0.09 -0.92 -0.10 0.00 -1.72 0.00 0.00 55.73 53.07 3mdi s ARG 35 Cb -0.15 -3.77 -0.05 0.00 -0.45 0.00 0.00 34.95 30.53 3mdi s ARG 35 CO -0.19 -0.62 0.20 0.99 -0.68 0.00 0.00 175.30 175.00 3mdi s THR 36 N 1.62 5.38 -0.04 0.02 2.01 -1.26 -0.36 115.64 123.01 3mdi s THR 36 Ca 0.04 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.38 3mdi s THR 36 Cb -0.18 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 68.84 3mdi s THR 36 CO 0.08 0.50 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.85 3mdi s ILE 37 N -0.18 0.41 -0.06 1.82 -1.09 -0.69 -4.94 121.20 116.47 3mdi s ILE 37 Ca 0.14 -0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 58.24 3mdi s ILE 37 Cb -0.12 -0.48 -0.02 0.00 -1.58 0.00 0.00 42.46 40.26 3mdi s ILE 37 CO 0.03 0.21 0.96 0.20 -1.23 0.00 0.00 174.94 175.11 3mdi s ASN 38 N 1.11 7.26 0.15 3.58 -0.87 -1.26 -0.61 114.94 124.28 3mdi s ASN 38 Ca -0.08 1.53 0.08 0.00 -1.57 0.00 0.00 52.86 52.82 3mdi s ASN 38 Cb -0.14 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.51 3mdi s ASN 38 CO -0.01 -0.34 -0.07 -0.76 -2.57 0.00 0.00 177.10 173.34 3mdi s LEU 39 N 1.52 3.10 0.11 0.60 1.43 0.13 -4.66 118.68 120.91 3mdi s LEU 39 Ca 0.48 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 3mdi s LEU 39 Cb -0.19 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3mdi s LEU 39 CO 0.22 0.13 -0.11 -0.31 0.23 0.00 0.00 176.35 176.51 3mdi s TYR 40 N -1.50 1.15 0.56 0.29 2.02 -1.26 0.54 117.35 119.15 3mdi s TYR 40 Ca 0.24 -0.65 -0.20 0.00 -0.37 0.00 0.00 57.07 56.09 3mdi s TYR 40 Cb -0.10 -0.62 -0.06 0.00 -0.40 0.00 0.00 41.96 40.79 3mdi s TYR 40 CO 0.16 0.04 1.12 -2.30 -1.57 0.00 0.00 175.55 172.99 3mdi n PRO 41 N 0.45 1.24 0.30 -1.71 -0.02 -1.26 -1.49 135.00 132.51 3mdi n PRO 41 Ca -0.15 0.46 0.15 0.00 -2.02 0.00 0.00 63.50 61.94 3mdi n PRO 41 Cb 0.58 -2.30 0.91 0.00 -0.02 0.00 0.00 33.50 32.67 3mdi n PRO 41 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3mdi h LEU 42 N 0.97 0.00 -0.09 2.45 5.85 -1.77 -1.00 115.31 121.72 3mdi h LEU 42 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3mdi h LEU 42 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3mdi h LEU 42 CO 0.54 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.99 3mdi n THR 43 N -3.87 0.72 0.41 1.05 -2.24 -1.26 -2.25 114.28 106.84 3mdi n THR 43 Ca -0.03 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 3mdi n THR 43 Cb 0.08 -0.88 0.47 0.00 -2.10 0.00 0.00 70.33 67.90 3mdi n THR 43 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3mdi h ASN 44 N 0.00 0.00 -3.30 3.42 4.21 -1.48 -3.45 115.58 114.98 3mdi h ASN 44 Ca 0.00 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.85 3mdi h ASN 44 Cb 0.35 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 37.43 3mdi h ASN 44 CO 0.00 0.00 -0.63 -0.31 -1.29 0.00 0.00 177.43 175.20 3mdi s TYR 45 N -3.32 3.10 -0.16 1.19 2.02 -0.96 -3.86 117.35 115.36 3mdi s TYR 45 Ca 0.06 0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 56.76 3mdi s TYR 45 Cb 0.09 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 3mdi s TYR 45 CO 0.52 0.49 0.05 0.99 -1.57 0.00 0.00 175.55 176.03 3mdi s THR 46 N -1.20 4.73 -0.10 -0.71 2.01 -0.20 -4.98 115.64 115.19 3mdi s THR 46 Ca 0.23 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.20 3mdi s THR 46 Cb -0.12 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 3mdi s THR 46 CO 0.14 0.49 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.99 3mdi s PHE 47 N 0.11 2.59 0.00 4.92 0.08 -1.26 -1.11 117.98 123.31 3mdi s PHE 47 Ca 0.05 -0.90 0.00 0.00 0.12 0.00 0.00 56.93 56.20 3mdi s PHE 47 Cb -0.12 -1.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 3mdi s PHE 47 CO 0.01 -0.33 0.00 0.41 -0.10 0.00 0.00 175.22 175.21 3mdi n GLY 48 N 3.39 4.70 3.27 4.36 0.00 0.63 -4.98 105.19 116.55 3mdi n GLY 48 Ca -0.19 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 3mdi n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mdi s THR 49 N -1.16 1.73 0.26 2.61 2.01 -1.26 -1.43 115.64 118.39 3mdi s THR 49 Ca 0.00 -1.27 0.05 0.00 0.31 0.00 0.00 61.69 60.78 3mdi s THR 49 Cb 0.00 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 3mdi s THR 49 CO 0.00 0.18 0.23 2.29 -0.69 0.00 0.00 174.62 176.64 3mdi n LYS 50 N 1.72 0.34 -1.62 4.92 2.85 -0.32 -4.71 118.16 121.34 3mdi n LYS 50 Ca -0.17 -2.50 -0.46 0.00 -1.05 0.00 0.00 58.31 54.13 3mdi n LYS 50 Cb 0.53 2.09 -0.02 0.00 -0.65 0.00 0.00 35.03 36.98 3mdi n LYS 50 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3mdi n GLU 51 N -0.48 1.58 -1.56 -1.58 4.71 -1.26 -0.33 120.64 121.71 3mdi n GLU 51 Ca 0.05 0.56 -0.37 0.00 -0.01 0.00 0.00 57.16 57.39 3mdi n GLU 51 Cb 0.46 -2.07 0.06 0.00 -1.01 0.00 0.00 31.44 28.89 3mdi n GLU 51 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3mdi n PRO 52 N 1.34 0.78 -3.94 3.49 -0.04 -1.26 -3.94 135.00 131.43 3mdi n PRO 52 Ca 0.11 0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 63.58 3mdi n PRO 52 Cb 0.30 -2.19 -0.15 0.00 -0.04 0.00 0.00 33.50 31.43 3mdi n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3mdi s LEU 53 N -2.37 4.12 0.41 1.53 2.96 -1.26 -4.87 118.68 119.20 3mdi s LEU 53 Ca 0.76 -2.09 -0.23 0.00 -0.22 0.00 0.00 54.13 52.35 3mdi s LEU 53 Cb -0.39 -1.44 -0.10 0.00 0.50 0.00 0.00 46.19 44.76 3mdi s LEU 53 CO 0.47 -0.38 1.00 -0.31 -1.32 0.00 0.00 176.35 175.81 3mdi s TYR 54 N 1.00 3.31 0.34 5.38 2.02 -1.26 -4.98 117.35 123.16 3mdi s TYR 54 Ca 0.11 1.65 -0.27 0.00 -0.37 0.00 0.00 57.07 58.19 3mdi s TYR 54 Cb -0.19 -3.00 -0.09 0.00 -0.40 0.00 0.00 41.96 38.28 3mdi s TYR 54 CO -0.11 -0.36 1.12 -1.21 -1.57 0.00 0.00 175.55 173.42 3mdi s GLU 55 N -2.72 4.37 0.52 -0.62 2.02 -1.26 -4.94 118.70 116.08 3mdi s GLU 55 Ca 0.59 1.79 0.34 0.00 0.02 0.00 0.00 54.97 57.71 3mdi s GLU 55 Cb -0.17 -2.92 1.57 0.00 0.10 0.00 0.00 34.13 32.71 3mdi s GLU 55 CO 0.22 -0.02 2.02 -0.22 0.02 0.00 0.00 175.26 177.27 3mdi h LYS 56 N 3.22 0.00 -6.18 1.61 3.64 -2.04 -3.42 116.57 113.39 3mdi h LYS 56 Ca -0.48 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.22 3mdi h LYS 56 Cb 1.22 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.82 3mdi h LYS 56 CO 0.65 0.00 -0.75 -0.51 -2.27 0.00 0.00 179.45 176.57 3mdi s ASP 57 N -5.25 4.22 0.03 4.20 1.01 -1.26 -5.03 116.67 114.59 3mdi s ASP 57 Ca -0.00 -0.15 0.24 0.00 0.71 0.00 0.00 52.55 53.35 3mdi s ASP 57 Cb 0.10 -1.01 0.40 0.00 1.01 0.00 0.00 42.92 43.42 3mdi s ASP 57 CO 0.47 0.33 1.34 -1.54 0.21 0.00 0.00 175.17 175.98 3mdi n SER 58 N 2.39 0.57 -3.56 0.27 3.41 -1.26 -4.95 113.62 110.48 3mdi n SER 58 Ca -0.17 -0.18 -0.09 0.00 -0.26 0.00 0.00 58.87 58.16 3mdi n SER 58 Cb 0.52 0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.74 3mdi n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mdi s SER 59 N -3.37 -0.34 0.32 4.04 1.04 -1.26 -5.00 113.70 109.13 3mdi s SER 59 Ca 0.09 0.26 0.08 0.00 0.48 0.00 0.00 55.95 56.87 3mdi s SER 59 Cb 0.16 0.30 0.92 0.00 0.10 0.00 0.00 66.02 67.50 3mdi s SER 59 CO 0.72 -0.39 1.63 0.58 0.98 0.00 0.00 173.24 176.77 3mdi h VAL 60 N 2.36 0.23 -0.49 5.02 2.07 -1.99 0.34 116.25 123.80 3mdi h VAL 60 Ca -0.18 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3mdi h VAL 60 Cb 1.18 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3mdi h VAL 60 CO 0.30 0.04 0.21 0.00 0.02 0.00 0.00 177.57 178.14 3mdi h ALA 61 N 1.86 0.63 -0.61 1.67 0.00 -2.00 -2.05 119.26 118.76 3mdi h ALA 61 Ca 0.66 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 3mdi h ALA 61 Cb 1.46 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3mdi h ALA 61 CO -0.69 0.23 0.13 0.00 0.00 0.00 0.00 179.25 178.92 3mdi h ALA 62 N 1.05 1.07 -0.08 0.00 0.00 -0.89 -2.45 119.26 117.97 3mdi h ALA 62 Ca 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3mdi h ALA 62 Cb 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3mdi h ALA 62 CO -0.02 0.61 0.04 -0.09 0.00 0.00 0.00 179.25 179.80 3mdi h ARG 63 N 0.92 0.11 0.00 0.00 2.43 0.08 0.12 114.38 118.04 3mdi h ARG 63 Ca 0.19 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3mdi h ARG 63 Cb 0.36 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3mdi h ARG 63 CO 0.00 0.14 -0.08 0.74 -1.51 0.00 0.00 179.97 179.27 3mdi h PHE 64 N 0.04 0.00 0.22 2.20 0.04 -1.47 -1.29 116.94 116.68 3mdi h PHE 64 Ca 0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3mdi h PHE 64 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3mdi h PHE 64 CO -0.05 0.00 -0.10 0.37 -0.60 0.00 0.00 178.31 177.93 3mdi h GLN 65 N 0.00 -0.28 -0.28 1.51 5.75 -1.11 -1.35 115.11 119.36 3mdi h GLN 65 Ca 0.00 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3mdi h GLN 65 Cb 0.92 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 3mdi h GLN 65 CO 0.00 0.05 -0.01 -0.09 -2.65 0.00 0.00 178.83 176.13 3mdi h ARG 66 N -0.64 0.42 -0.64 1.69 2.43 -0.71 -1.99 114.38 114.94 3mdi h ARG 66 Ca -0.03 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 3mdi h ARG 66 Cb 0.46 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3mdi h ARG 66 CO 0.05 0.45 0.14 1.98 -1.51 0.00 0.00 179.97 181.08 3mdi h MET 67 N 0.40 1.01 -0.31 0.20 4.05 -1.22 -1.93 114.93 117.14 3mdi h MET 67 Ca 0.09 -0.24 -0.04 0.00 -0.28 0.00 0.00 59.70 59.23 3mdi h MET 67 Cb 0.28 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3mdi h MET 67 CO 0.01 0.91 0.02 0.00 0.23 0.00 0.00 176.91 178.08 3mdi h ARG 68 N 0.96 0.53 -0.00 0.39 3.08 -0.61 -1.83 114.38 116.89 3mdi h ARG 68 Ca 0.20 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3mdi h ARG 68 Cb 0.36 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3mdi h ARG 68 CO 0.00 0.65 0.00 0.93 -1.07 0.00 0.00 179.97 180.49 3mdi h GLU 69 N 0.34 0.01 -0.57 0.04 5.08 -1.30 -2.99 114.58 115.19 3mdi h GLU 69 Ca 0.09 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3mdi h GLU 69 Cb 0.39 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3mdi h GLU 69 CO 0.01 0.05 0.16 0.93 -1.00 0.00 0.00 179.01 179.17 3mdi h GLU 70 N -0.04 0.86 -0.14 2.33 5.08 -1.37 -1.76 114.58 119.53 3mdi h GLU 70 Ca 0.00 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3mdi h GLU 70 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3mdi h GLU 70 CO -0.00 0.75 0.11 0.35 -1.00 0.00 0.00 179.01 179.22 3mdi h PHE 71 N 0.83 0.00 0.05 4.33 3.57 -1.19 0.52 116.94 125.05 3mdi h PHE 71 Ca 0.19 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.46 3mdi h PHE 71 Cb 0.26 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3mdi h PHE 71 CO 0.02 0.00 -1.03 -0.44 -2.23 0.00 0.00 178.31 174.63 3mdi h ASP 72 N 0.00 0.30 0.00 0.41 3.32 -1.20 -2.71 116.42 116.55 3mdi h ASP 72 Ca 0.07 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3mdi h ASP 72 Cb 0.28 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3mdi h ASP 72 CO -0.00 1.15 -1.74 2.29 -1.72 0.00 0.00 179.24 179.22 3mdi n LYS 73 N -3.57 0.50 -0.00 3.56 2.85 -0.78 -4.66 118.16 116.06 3mdi n LYS 73 Ca -0.05 -0.15 0.02 0.00 -1.05 0.00 0.00 58.31 57.08 3mdi n LYS 73 Cb 0.91 -1.39 -0.03 0.00 -0.65 0.00 0.00 35.03 33.87 3mdi n LYS 73 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 3mdi n ILE 74 N -2.06 0.00 -1.74 0.58 2.08 0.18 -5.09 119.36 113.31 3mdi n ILE 74 Ca -0.03 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.15 3mdi n ILE 74 Cb 0.42 0.49 0.00 0.00 -0.75 0.00 0.00 39.64 39.80 3mdi n ILE 74 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3mdi n GLY 75 N 2.11 -1.52 3.74 7.39 0.00 -1.02 -4.95 105.19 110.93 3mdi n GLY 75 Ca -0.01 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 3mdi n GLY 75 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3mdi s MET 76 N 0.00 4.16 0.24 1.61 -2.45 -1.26 -3.93 119.30 117.67 3mdi s MET 76 Ca 0.00 2.50 -0.30 0.00 -1.25 0.00 0.00 55.69 56.64 3mdi s MET 76 Cb 0.00 -3.07 -0.09 0.00 1.25 0.00 0.00 34.83 32.91 3mdi s MET 76 CO 0.00 -0.61 1.36 0.50 1.05 0.00 0.00 175.02 177.32 3mdi s ARG 77 N 0.15 4.34 -0.24 4.11 3.52 -0.70 -4.91 118.95 125.21 3mdi s ARG 77 Ca 0.66 2.17 0.03 0.00 -0.13 0.00 0.00 55.73 58.46 3mdi s ARG 77 Cb -0.46 -3.14 0.05 0.00 -1.56 0.00 0.00 34.95 29.83 3mdi s ARG 77 CO 0.41 -0.31 -0.13 1.03 -0.81 0.00 0.00 175.30 175.49 3mdi s ARG 78 N -0.44 2.38 0.02 5.12 0.52 -1.26 -1.15 118.95 124.13 3mdi s ARG 78 Ca 0.57 -1.23 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 3mdi s ARG 78 Cb -0.39 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 3mdi s ARG 78 CO 0.42 -0.49 -0.01 0.95 0.02 0.00 0.00 175.30 176.19 3mdi s THR 79 N 1.15 4.05 -0.03 0.02 -4.23 -0.42 -0.94 115.64 115.23 3mdi s THR 79 Ca -0.06 -0.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.80 3mdi s THR 79 Cb -0.18 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.83 3mdi s THR 79 CO -0.07 0.33 -0.16 0.68 -0.54 0.00 0.00 174.62 174.87 3mdi s VAL 80 N -1.11 1.29 0.09 2.29 -7.23 -0.37 -1.06 120.40 114.30 3mdi s VAL 80 Ca 0.20 -0.67 0.05 0.00 -1.81 0.00 0.00 61.98 59.75 3mdi s VAL 80 Cb -0.11 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 3mdi s VAL 80 CO 0.11 0.37 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.54 3mdi s GLU 81 N -0.14 0.86 -0.03 4.82 2.02 -0.10 -1.26 118.70 124.88 3mdi s GLU 81 Ca 0.01 -1.08 0.05 0.00 0.02 0.00 0.00 54.97 53.97 3mdi s GLU 81 Cb -0.09 -0.72 -0.03 0.00 0.10 0.00 0.00 34.13 33.40 3mdi s GLU 81 CO 0.01 0.14 -0.17 0.20 0.02 0.00 0.00 175.26 175.46 3mdi s GLY 82 N -2.13 1.51 -0.33 -1.39 0.00 0.28 -1.37 107.32 103.88 3mdi s GLY 82 Ca 0.02 -1.04 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 3mdi s GLY 82 CO 0.02 -0.86 0.10 0.14 0.00 0.00 0.00 173.10 172.50 3mdi s VAL 83 N -0.76 3.79 -0.19 1.40 1.01 0.00 -4.09 120.40 121.57 3mdi s VAL 83 Ca 0.12 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 3mdi s VAL 83 Cb -0.10 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3mdi s VAL 83 CO 0.01 -0.15 0.06 -0.76 0.00 0.00 0.00 175.10 174.26 3mdi s LEU 84 N 1.41 3.71 -0.07 3.92 1.02 -1.26 -1.54 118.68 125.86 3mdi s LEU 84 Ca -0.01 0.01 0.04 0.00 0.02 0.00 0.00 54.13 54.19 3mdi s LEU 84 Cb -0.19 -1.94 -0.00 0.00 0.02 0.00 0.00 46.19 44.07 3mdi s LEU 84 CO 0.03 0.14 -0.21 -0.63 0.02 0.00 0.00 176.35 175.69 3mdi s ILE 85 N 0.60 1.81 0.43 -0.59 1.01 -1.26 -1.11 121.20 122.08 3mdi s ILE 85 Ca 0.03 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.82 3mdi s ILE 85 Cb -0.13 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3mdi s ILE 85 CO 0.01 0.51 0.05 0.68 0.00 0.00 0.00 174.94 176.19 3mdi s VAL 86 N 0.21 1.15 0.07 2.92 -7.23 -0.37 -4.64 120.40 112.50 3mdi s VAL 86 Ca -0.12 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.10 3mdi s VAL 86 Cb -0.15 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 3mdi s VAL 86 CO 0.06 0.00 -0.14 -1.38 -0.31 0.00 0.00 175.10 173.33 3mdi s HIS 87 N -3.03 1.21 -0.19 2.82 -3.43 -0.56 0.14 115.29 112.26 3mdi s HIS 87 Ca 0.22 -0.44 0.01 0.00 -0.80 0.00 0.00 55.06 54.05 3mdi s HIS 87 Cb 0.05 -0.69 0.03 0.00 -1.43 0.00 0.00 32.58 30.54 3mdi s HIS 87 CO 0.11 0.05 -0.17 -1.21 -2.00 0.00 0.00 174.74 171.53 3mdi s GLU 88 N -1.63 2.67 -1.48 -0.38 2.02 -0.64 -2.00 118.70 117.27 3mdi s GLU 88 Ca -0.01 -0.88 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 3mdi s GLU 88 Cb -0.10 -2.55 0.03 0.00 0.10 0.00 0.00 34.13 31.62 3mdi s GLU 88 CO 0.02 -0.30 0.44 0.72 0.02 0.00 0.00 175.26 176.16 3mdi n HIS 89 N 4.61 -1.62 -1.91 1.61 8.25 -1.26 -1.62 115.22 123.28 3mdi n HIS 89 Ca -0.19 0.74 -0.14 0.00 -0.26 0.00 0.00 57.72 57.87 3mdi n HIS 89 Cb 0.48 -3.49 -0.03 0.00 1.12 0.00 0.00 29.99 28.07 3mdi n HIS 89 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3mdi n ARG 90 N -4.42 -1.09 -4.63 -0.41 1.74 -1.26 -5.01 116.66 101.58 3mdi n ARG 90 Ca -0.24 0.83 -0.33 0.00 -0.77 0.00 0.00 57.85 57.34 3mdi n ARG 90 Cb 0.65 -5.05 -0.16 0.00 -1.02 0.00 0.00 32.46 26.88 3mdi n ARG 90 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mdi s LEU 91 N -3.79 2.20 0.29 0.55 1.43 -0.64 -5.10 118.68 113.63 3mdi s LEU 91 Ca 0.00 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.24 3mdi s LEU 91 Cb 0.00 -1.48 -0.10 0.00 0.03 0.00 0.00 46.19 44.64 3mdi s LEU 91 CO 0.00 0.08 1.40 -2.84 0.23 0.00 0.00 176.35 175.22 3mdi s PRO 92 N 0.82 4.28 -0.05 1.29 0.02 -1.26 -1.62 135.00 138.49 3mdi s PRO 92 Ca -0.07 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.29 3mdi s PRO 92 Cb -0.15 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.28 3mdi s PRO 92 CO -0.01 -0.35 -0.18 -1.01 -0.33 0.00 0.00 177.00 175.12 3mdi s HIS 93 N -0.51 1.80 -0.08 6.54 3.76 0.12 -2.59 115.29 124.34 3mdi s HIS 93 Ca 0.55 -0.53 -0.13 0.00 -0.15 0.00 0.00 55.06 54.81 3mdi s HIS 93 Cb -0.41 -1.21 -0.05 0.00 1.11 0.00 0.00 32.58 32.02 3mdi s HIS 93 CO 0.49 -0.18 0.31 0.08 -0.85 0.00 0.00 174.74 174.59 3mdi s VAL 94 N 0.03 5.23 -0.25 -0.90 1.01 -0.27 -1.23 120.40 124.02 3mdi s VAL 94 Ca -0.04 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 3mdi s VAL 94 Cb -0.12 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3mdi s VAL 94 CO 0.02 0.52 1.14 -0.76 0.00 0.00 0.00 175.10 176.03 3mdi s LEU 95 N -0.55 4.04 0.05 3.92 1.43 -0.26 -0.35 118.68 126.95 3mdi s LEU 95 Ca 0.20 1.34 0.06 0.00 -1.03 0.00 0.00 54.13 54.70 3mdi s LEU 95 Cb -0.14 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 3mdi s LEU 95 CO 0.08 -0.81 -0.13 -0.76 0.23 0.00 0.00 176.35 174.96 3mdi s LEU 96 N 3.58 2.85 -0.10 1.79 1.43 0.27 -4.67 118.68 123.82 3mdi s LEU 96 Ca 0.49 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 3mdi s LEU 96 Cb -0.16 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 3mdi s LEU 96 CO 0.13 0.24 0.30 -0.76 0.23 0.00 0.00 176.35 176.49 3mdi s LEU 97 N -1.65 4.35 -0.07 1.79 1.43 -0.68 -0.27 118.68 123.57 3mdi s LEU 97 Ca 0.17 0.65 0.04 0.00 -1.03 0.00 0.00 54.13 53.96 3mdi s LEU 97 Cb -0.11 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 3mdi s LEU 97 CO 0.08 0.23 -0.21 -1.58 0.23 0.00 0.00 176.35 175.11 3mdi s GLN 98 N -0.32 2.75 -0.21 1.70 0.74 0.49 -1.25 119.66 123.56 3mdi s GLN 98 Ca 0.19 -0.82 -0.04 0.00 0.05 0.00 0.00 55.36 54.74 3mdi s GLN 98 Cb -0.14 -2.31 -0.01 0.00 1.10 0.00 0.00 33.01 31.65 3mdi s GLN 98 CO 0.07 0.38 -0.04 -1.17 -0.55 0.00 0.00 175.29 173.98 3mdi s LEU 99 N -0.12 2.99 0.00 3.68 2.96 0.62 -1.61 118.68 127.20 3mdi s LEU 99 Ca -0.04 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 3mdi s LEU 99 Cb -0.14 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.79 3mdi s LEU 99 CO 0.04 0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 3mdi n GLY 100 N 4.54 2.81 0.00 7.98 0.00 -1.26 -2.80 105.19 116.47 3mdi n GLY 100 Ca -0.18 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.60 3mdi n GLY 100 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mdi n THR 101 N 0.00 0.00 0.51 2.61 -1.04 -1.26 -4.74 114.28 110.36 3mdi n THR 101 Ca 0.00 -0.18 0.06 0.00 -2.04 0.00 0.00 64.05 61.89 3mdi n THR 101 Cb 0.00 0.89 -0.08 0.00 -1.82 0.00 0.00 70.33 69.32 3mdi n THR 101 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3mdi n THR 102 N -1.43 0.00 -3.98 12.58 -2.24 -1.15 -4.99 114.28 113.08 3mdi n THR 102 Ca 0.02 -0.21 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 3mdi n THR 102 Cb 0.25 0.87 -0.17 0.00 -2.10 0.00 0.00 70.33 69.18 3mdi n THR 102 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3mdi s PHE 103 N -2.35 0.73 -0.09 4.78 5.36 -1.12 -5.02 117.98 120.26 3mdi s PHE 103 Ca 0.03 -0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 55.78 3mdi s PHE 103 Cb 0.10 -0.74 -0.03 0.00 -0.34 0.00 0.00 43.02 42.01 3mdi s PHE 103 CO 0.54 -0.26 -0.02 -0.06 -1.46 0.00 0.00 175.22 173.96 3mdi s PHE 104 N 1.39 3.09 0.02 10.12 0.08 -1.26 -0.28 117.98 131.14 3mdi s PHE 104 Ca -0.04 0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 3mdi s PHE 104 Cb -0.13 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 3mdi s PHE 104 CO -0.03 0.36 -0.01 -1.59 -0.10 0.00 0.00 175.22 173.85 3mdi s LYS 105 N -0.65 0.34 0.47 0.44 -2.85 -0.38 -4.99 119.74 112.12 3mdi s LYS 105 Ca 0.10 -0.61 -0.21 0.00 -1.00 0.00 0.00 55.97 54.26 3mdi s LYS 105 Cb -0.12 0.12 -0.09 0.00 -2.06 0.00 0.00 37.83 35.69 3mdi s LYS 105 CO 0.02 -0.06 1.02 -0.51 0.10 0.00 0.00 175.35 175.92 3mdi s LEU 106 N -1.50 3.88 0.21 2.77 1.43 -1.26 -1.69 118.68 122.52 3mdi s LEU 106 Ca -0.15 1.88 -0.32 0.00 -1.03 0.00 0.00 54.13 54.51 3mdi s LEU 106 Cb -0.09 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.47 3mdi s LEU 106 CO -0.01 -0.67 1.71 -2.16 0.23 0.00 0.00 176.35 175.45 3mdi s PRO 107 N -3.18 4.13 0.00 1.29 0.04 -1.26 -4.81 135.00 131.21 3mdi s PRO 107 Ca 0.66 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.29 3mdi s PRO 107 Cb -0.15 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.31 3mdi s PRO 107 CO 0.19 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.90 3mdi n GLY 108 N 3.89 -0.41 0.00 0.56 0.00 -1.26 -0.56 105.19 107.41 3mdi n GLY 108 Ca 0.15 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3mdi n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mdi n GLY 109 N 0.00 -0.13 3.77 -0.02 0.00 -0.39 -4.91 105.19 103.51 3mdi n GLY 109 Ca 0.00 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 3mdi n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mdi s GLU 110 N -2.00 4.15 0.44 1.61 2.02 -1.26 -1.24 118.70 122.43 3mdi s GLU 110 Ca 0.00 0.37 -0.22 0.00 0.02 0.00 0.00 54.97 55.15 3mdi s GLU 110 Cb 0.00 -3.35 -0.09 0.00 0.10 0.00 0.00 34.13 30.79 3mdi s GLU 110 CO 0.00 0.39 1.02 -0.51 0.02 0.00 0.00 175.26 176.19 3mdi s LEU 111 N -0.11 3.97 0.64 1.80 1.43 -0.12 -4.97 118.68 121.32 3mdi s LEU 111 Ca 0.23 1.92 -0.14 0.00 -1.03 0.00 0.00 54.13 55.12 3mdi s LEU 111 Cb -0.15 -4.42 -0.02 0.00 0.03 0.00 0.00 46.19 41.62 3mdi s LEU 111 CO 0.10 -0.60 1.06 0.20 0.23 0.00 0.00 176.35 177.34 3mdi s ASN 112 N -1.87 5.60 0.14 2.29 0.01 -1.26 -4.75 114.94 115.10 3mdi s ASN 112 Ca 0.63 1.74 -0.33 0.00 -0.71 0.00 0.00 52.86 54.19 3mdi s ASN 112 Cb -0.17 -2.52 -0.13 0.00 0.41 0.00 0.00 41.25 38.84 3mdi s ASN 112 CO 0.21 -1.29 1.68 -2.65 -1.51 0.00 0.00 177.10 173.54 3mdi n PRO 113 N -2.47 2.40 0.00 -0.60 -0.02 -1.26 -1.89 135.00 131.16 3mdi n PRO 113 Ca 0.08 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3mdi n PRO 113 Cb 0.53 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3mdi n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mdi n GLY 114 N 3.76 2.56 3.77 -1.23 0.00 -1.26 -5.01 105.19 107.77 3mdi n GLY 114 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3mdi n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mdi s GLU 115 N -0.22 4.21 0.33 1.61 2.12 -0.79 -4.95 118.70 121.01 3mdi s GLU 115 Ca 0.00 2.43 -0.29 0.00 0.36 0.00 0.00 54.97 57.47 3mdi s GLU 115 Cb 0.00 -3.03 -0.11 0.00 0.26 0.00 0.00 34.13 31.25 3mdi s GLU 115 CO 0.00 -0.43 1.53 0.34 -0.54 0.00 0.00 175.26 176.16 3mdi s ASP 116 N -0.09 6.38 0.13 -1.70 2.15 -1.26 -4.86 116.67 117.41 3mdi s ASP 116 Ca 0.54 2.98 -0.19 0.00 0.43 0.00 0.00 52.55 56.31 3mdi s ASP 116 Cb -0.44 -2.65 -0.06 0.00 -0.30 0.00 0.00 42.92 39.47 3mdi s ASP 116 CO 0.55 -0.87 1.78 -0.33 -0.17 0.00 0.00 175.17 176.13 3mdi h GLU 117 N 3.87 0.29 -0.29 4.34 5.08 -1.98 0.34 114.58 126.22 3mdi h GLU 117 Ca -0.49 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 57.68 3mdi h GLU 117 Cb 1.23 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3mdi h GLU 117 CO 0.71 0.19 -0.49 0.28 -1.00 0.00 0.00 179.01 178.70 3mdi h VAL 118 N 0.30 1.28 -0.35 3.13 2.07 -1.96 0.41 116.25 121.12 3mdi h VAL 118 Ca 0.08 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 65.89 3mdi h VAL 118 Cb -0.03 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3mdi h VAL 118 CO -0.02 0.55 0.07 -0.33 0.02 0.00 0.00 177.57 177.85 3mdi h GLU 119 N 0.63 0.57 -0.35 1.57 4.39 -1.92 -2.08 114.58 117.38 3mdi h GLU 119 Ca 0.02 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.63 3mdi h GLU 119 Cb 1.09 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.62 3mdi h GLU 119 CO 0.11 0.64 0.01 0.78 -1.16 0.00 0.00 179.01 179.39 3mdi h GLY 120 N 0.41 0.36 0.82 -3.84 0.00 -0.25 -1.03 103.07 99.53 3mdi h GLY 120 Ca 0.11 0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.50 3mdi h GLY 120 CO 0.01 -0.07 0.37 -2.00 0.00 0.00 0.00 176.54 174.85 3mdi h LEU 121 N 0.11 0.60 -0.50 3.11 5.85 -0.77 -0.16 115.31 123.56 3mdi h LEU 121 Ca 0.17 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3mdi h LEU 121 Cb 0.23 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3mdi h LEU 121 CO -0.27 0.41 0.33 0.11 -0.34 0.00 0.00 178.44 178.68 3mdi h LYS 122 N 0.73 0.66 -0.09 1.25 1.57 -1.07 0.45 116.57 120.06 3mdi h LYS 122 Ca 0.26 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 3mdi h LYS 122 Cb 0.07 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 3mdi h LYS 122 CO -0.12 0.44 -0.30 -0.09 -0.57 0.00 0.00 179.45 178.81 3mdi h ARG 123 N 0.68 -0.38 -0.78 3.15 2.43 -0.58 -0.66 114.38 118.24 3mdi h ARG 123 Ca 0.18 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3mdi h ARG 123 Cb -0.08 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3mdi h ARG 123 CO -0.04 -0.25 0.28 -0.07 -1.51 0.00 0.00 179.97 178.38 3mdi h LEU 124 N -0.39 1.11 -0.22 3.80 3.38 -0.50 -1.22 115.31 121.25 3mdi h LEU 124 Ca 0.09 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3mdi h LEU 124 Cb 0.52 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3mdi h LEU 124 CO -0.31 1.00 0.04 0.24 0.09 0.00 0.00 178.44 179.50 3mdi h MET 125 N 1.15 0.12 -0.83 1.13 2.86 0.11 -0.49 114.93 118.98 3mdi h MET 125 Ca 0.26 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 3mdi h MET 125 Cb 0.26 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 3mdi h MET 125 CO -0.02 0.08 0.42 1.15 1.06 0.00 0.00 176.91 179.61 3mdi h THR 126 N 0.13 1.25 -0.30 2.22 2.02 -0.85 0.16 112.91 117.54 3mdi h THR 126 Ca 0.10 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.47 3mdi h THR 126 Cb 0.10 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3mdi h THR 126 CO -0.14 0.29 -0.40 -0.08 0.37 0.00 0.00 175.52 175.57 3mdi h GLU 127 N 1.17 0.72 0.00 6.66 4.81 -0.67 0.24 114.58 127.51 3mdi h GLU 127 Ca 0.29 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3mdi h GLU 127 Cb 0.08 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3mdi h GLU 127 CO -0.04 0.99 -1.27 1.51 -0.73 0.00 0.00 179.01 179.46 3mdi n ILE 128 N -4.04 0.37 -0.01 2.32 3.06 -0.24 -4.59 119.36 116.24 3mdi n ILE 128 Ca -0.02 -0.48 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 3mdi n ILE 128 Cb 0.53 -0.15 0.00 0.00 0.54 0.00 0.00 39.64 40.56 3mdi n ILE 128 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3mdi n LEU 129 N -2.44 0.00 -4.67 9.51 4.77 0.02 -4.09 117.00 120.11 3mdi n LEU 129 Ca -0.01 -0.08 -0.45 0.00 -0.03 0.00 0.00 56.01 55.44 3mdi n LEU 129 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 3mdi n LEU 129 CO 0.42 0.00 1.09 0.61 -1.33 0.00 0.00 177.39 178.18 3mdi n GLY 130 N 0.16 0.93 3.73 -0.72 0.00 0.85 -1.16 105.19 108.97 3mdi n GLY 130 Ca 0.00 0.55 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 3mdi n GLY 130 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mdi s ARG 131 N 0.05 4.20 -0.19 1.61 1.70 -1.26 -4.12 118.95 120.94 3mdi s ARG 131 Ca 0.72 2.42 -0.04 0.00 -0.47 0.00 0.00 55.73 58.36 3mdi s ARG 131 Cb -0.65 -3.12 -0.04 0.00 -0.57 0.00 0.00 34.95 30.56 3mdi s ARG 131 CO 0.45 -0.61 2.85 1.04 -1.08 0.00 0.00 175.30 177.95 3mdi n GLN 132 N 3.54 1.94 -0.09 3.89 6.02 -1.26 -4.49 117.38 126.92 3mdi n GLN 132 Ca 0.13 -1.36 -0.18 0.00 -0.01 0.00 0.00 57.00 55.57 3mdi n GLN 132 Cb 0.38 -1.83 -0.13 0.00 1.02 0.00 0.00 30.24 29.69 3mdi n GLN 132 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3mdi n ASP 133 N 1.48 1.89 0.00 1.08 4.64 -1.26 -4.98 116.55 119.40 3mdi n ASP 133 Ca 0.36 -0.04 0.00 0.00 -1.38 0.00 0.00 54.79 53.73 3mdi n ASP 133 Cb 0.68 -0.43 0.00 0.00 -1.04 0.00 0.00 41.12 40.33 3mdi n ASP 133 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3mdi n GLY 134 N 2.16 0.50 3.83 0.27 0.00 -1.26 -5.07 105.19 105.62 3mdi n GLY 134 Ca -0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 3mdi n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mdi s VAL 135 N -2.07 5.13 -0.06 1.61 1.01 -1.26 -5.02 120.40 119.74 3mdi s VAL 135 Ca 0.00 0.72 -0.33 0.00 0.00 0.00 0.00 61.98 62.37 3mdi s VAL 135 Cb 0.00 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 3mdi s VAL 135 CO 0.00 0.57 1.90 0.18 0.00 0.00 0.00 175.10 177.75 3mdi n LEU 136 N 2.00 3.62 -4.47 3.92 4.77 -1.26 -4.94 117.00 120.65 3mdi n LEU 136 Ca -0.15 0.96 -0.43 0.00 -0.03 0.00 0.00 56.01 56.36 3mdi n LEU 136 Cb 0.53 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 3mdi n LEU 136 CO 0.37 0.01 -0.03 -1.58 -1.33 0.00 0.00 177.39 174.82 3mdi s GLN 137 N 4.15 3.02 -0.15 3.23 2.00 -1.26 -5.06 119.66 125.58 3mdi s GLN 137 Ca 0.92 -0.95 -0.01 0.00 -2.00 0.00 0.00 55.36 53.32 3mdi s GLN 137 Cb -0.63 -3.97 -0.02 0.00 0.80 0.00 0.00 33.01 29.19 3mdi s GLN 137 CO 0.49 -0.76 -0.10 -0.51 -0.50 0.00 0.00 175.29 173.91 3mdi s ASP 138 N 1.71 4.17 -0.16 6.67 1.01 -1.26 -5.07 116.67 123.73 3mdi s ASP 138 Ca 0.07 -0.31 -0.08 0.00 0.71 0.00 0.00 52.55 52.94 3mdi s ASP 138 Cb -0.19 -1.66 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 3mdi s ASP 138 CO 0.11 0.14 0.11 0.26 0.21 0.00 0.00 175.17 175.99 3mdi s TRP 139 N 0.52 3.42 -0.39 4.23 0.52 -1.26 -4.93 118.94 121.05 3mdi s TRP 139 Ca -0.07 0.33 -0.14 0.00 0.02 0.00 0.00 56.10 56.24 3mdi s TRP 139 Cb -0.15 -2.05 0.02 0.00 -1.15 0.00 0.00 33.47 30.14 3mdi s TRP 139 CO 0.04 0.41 0.27 0.08 0.02 0.00 0.00 176.95 177.77 3mdi s VAL 140 N -0.15 5.08 -0.43 4.03 1.01 -1.25 -5.03 120.40 123.65 3mdi s VAL 140 Ca 0.09 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3mdi s VAL 140 Cb -0.12 -3.80 0.13 0.00 0.00 0.00 0.00 36.38 32.59 3mdi s VAL 140 CO 0.01 -0.25 0.23 -0.63 0.00 0.00 0.00 175.10 174.45 3mdi s ILE 141 N 1.65 1.42 -0.49 2.22 1.01 -1.26 -0.81 121.20 124.94 3mdi s ILE 141 Ca 0.04 -2.52 0.04 0.00 0.00 0.00 0.00 60.65 58.22 3mdi s ILE 141 Cb -0.19 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.30 3mdi s ILE 141 CO 0.09 -0.88 0.55 0.47 0.00 0.00 0.00 174.94 175.17 3mdi n ASP 142 N 3.60 1.14 -3.94 3.58 10.43 -1.26 -5.01 116.55 125.09 3mdi n ASP 142 Ca 0.08 -1.07 -0.24 0.00 2.57 0.00 0.00 54.79 56.13 3mdi n ASP 142 Cb 0.35 0.20 -0.17 0.00 1.84 0.00 0.00 41.12 43.34 3mdi n ASP 142 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3mdi s ASP 143 N -0.58 1.66 -0.13 -2.24 1.11 -1.26 -5.05 116.67 110.18 3mdi s ASP 143 Ca 0.05 -0.24 -0.21 0.00 0.18 0.00 0.00 52.55 52.32 3mdi s ASP 143 Cb 0.04 -0.70 -0.03 0.00 1.07 0.00 0.00 42.92 43.29 3mdi s ASP 143 CO 0.08 -0.05 0.63 0.00 1.18 0.00 0.00 175.17 177.01 3mdi n ILE 145 N 4.09 0.00 0.00 0.00 -5.35 -0.31 -4.91 119.36 112.87 3mdi n ILE 145 Ca -0.02 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3mdi n ILE 145 Cb 0.51 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 3mdi n ILE 145 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mdi n GLY 146 N 1.46 0.48 3.08 3.28 0.00 -1.23 -4.96 105.19 107.32 3mdi n GLY 146 Ca -0.02 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 3mdi n GLY 146 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mdi s ASN 147 N 0.00 1.43 -0.01 1.61 0.01 -1.26 -1.21 114.94 115.50 3mdi s ASN 147 Ca 0.00 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 51.93 3mdi s ASN 147 Cb 0.00 -0.15 -0.01 0.00 0.41 0.00 0.00 41.25 41.51 3mdi s ASN 147 CO 0.00 0.13 -0.11 0.26 -1.51 0.00 0.00 177.10 175.86 3mdi s TRP 148 N -0.38 1.05 -0.05 2.20 0.52 0.06 -4.29 118.94 118.04 3mdi s TRP 148 Ca 0.04 -0.22 0.06 0.00 0.02 0.00 0.00 56.10 56.00 3mdi s TRP 148 Cb -0.05 -0.69 -0.01 0.00 -1.15 0.00 0.00 33.47 31.57 3mdi s TRP 148 CO -0.00 -0.04 -0.22 -1.58 0.02 0.00 0.00 176.95 175.13 3mdi s TRP 149 N -0.16 2.15 -0.44 -1.98 0.51 0.14 -0.33 118.94 118.83 3mdi s TRP 149 Ca 0.03 -0.61 -0.12 0.00 -2.12 0.00 0.00 56.10 53.27 3mdi s TRP 149 Cb -0.06 -1.42 0.07 0.00 -0.81 0.00 0.00 33.47 31.25 3mdi s TRP 149 CO -0.00 -0.18 0.32 0.50 -0.51 0.00 0.00 176.95 177.07 3mdi s ARG 150 N -0.13 2.79 0.31 4.98 3.52 -0.53 -0.46 118.95 129.44 3mdi s ARG 150 Ca -0.02 -1.38 0.15 0.00 -0.13 0.00 0.00 55.73 54.35 3mdi s ARG 150 Cb -0.12 -3.94 0.43 0.00 -1.56 0.00 0.00 34.95 29.75 3mdi s ARG 150 CO 0.03 -0.97 1.62 -1.00 -0.81 0.00 0.00 175.30 174.17 3mdi h PRO 151 N 8.57 0.00 -5.16 5.12 0.13 -1.87 0.31 132.00 139.09 3mdi h PRO 151 Ca -0.26 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.27 3mdi h PRO 151 Cb 1.10 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.10 3mdi h PRO 151 CO 0.81 0.51 -0.53 -0.80 -0.23 0.00 0.00 178.00 177.76 3mdi s ASN 152 N -6.56 3.38 0.00 1.44 0.01 -1.26 -4.28 114.94 107.66 3mdi s ASN 152 Ca 0.00 -1.62 -0.03 0.00 -0.71 0.00 0.00 52.86 50.51 3mdi s ASN 152 Cb 0.11 0.40 -0.11 0.00 0.41 0.00 0.00 41.25 42.05 3mdi s ASN 152 CO 0.73 -0.84 2.65 0.49 -1.51 0.00 0.00 177.10 178.62 3mdi n PHE 153 N -1.04 0.00 -4.30 2.20 3.72 -1.26 -4.75 117.46 112.03 3mdi n PHE 153 Ca -0.11 -1.19 -0.16 0.00 -0.05 0.00 0.00 57.45 55.94 3mdi n PHE 153 Cb 0.66 -0.96 -0.10 0.00 -0.94 0.00 0.00 39.48 38.14 3mdi n PHE 153 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3mdi s GLU 154 N 0.47 1.23 0.36 -1.08 0.41 -1.26 -4.89 118.70 113.94 3mdi s GLU 154 Ca 0.28 -1.59 0.09 0.00 -0.41 0.00 0.00 54.97 53.34 3mdi s GLU 154 Cb 0.13 -0.64 0.81 0.00 -1.78 0.00 0.00 34.13 32.65 3mdi s GLU 154 CO 0.00 -0.02 1.90 -1.35 -0.49 0.00 0.00 175.26 175.30 3mdi h PRO 155 N 2.59 0.67 -6.70 0.39 0.11 -2.02 -3.46 132.00 123.58 3mdi h PRO 155 Ca -0.38 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.15 3mdi h PRO 155 Cb 1.21 -0.15 0.08 0.00 0.11 0.00 0.00 31.00 32.25 3mdi h PRO 155 CO 0.64 0.44 0.82 -2.30 -0.21 0.00 0.00 178.00 177.40 3mdi n PRO 156 N -4.52 2.51 -4.34 1.05 -0.02 -1.26 -5.00 135.00 123.40 3mdi n PRO 156 Ca 0.15 0.89 -0.22 0.00 -2.02 0.00 0.00 63.50 62.30 3mdi n PRO 156 Cb 0.40 -2.65 -0.13 0.00 -0.02 0.00 0.00 33.50 31.10 3mdi n PRO 156 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3mdi s GLN 157 N -0.17 1.06 0.03 -0.52 -0.21 -1.26 -4.30 119.66 114.29 3mdi s GLN 157 Ca 0.68 -0.97 0.06 0.00 0.02 0.00 0.00 55.36 55.14 3mdi s GLN 157 Cb -0.55 -1.17 -0.02 0.00 1.00 0.00 0.00 33.01 32.27 3mdi s GLN 157 CO 0.46 0.28 -0.17 0.71 -2.12 0.00 0.00 175.29 174.45 3mdi s TYR 158 N -1.04 1.48 -0.75 0.91 2.02 0.39 -4.87 117.35 115.49 3mdi s TYR 158 Ca 0.03 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 3mdi s TYR 158 Cb -0.09 -0.90 0.00 0.00 -0.40 0.00 0.00 41.96 40.57 3mdi s TYR 158 CO 0.03 0.04 0.46 -0.35 -1.57 0.00 0.00 175.55 174.15 3mdi n PRO 159 N 2.10 0.73 -3.56 -1.71 -0.04 -1.26 0.28 135.00 131.55 3mdi n PRO 159 Ca -0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 3mdi n PRO 159 Cb 0.54 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 3mdi n PRO 159 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3mdi s TYR 160 N -0.69 -0.42 -0.43 0.54 1.13 -1.26 -4.80 117.35 111.43 3mdi s TYR 160 Ca 0.00 0.14 -0.25 0.00 -1.41 0.00 0.00 57.07 55.55 3mdi s TYR 160 Cb 0.00 0.60 0.02 0.00 -1.10 0.00 0.00 41.96 41.48 3mdi s TYR 160 CO 0.00 -0.94 0.89 0.42 -2.51 0.00 0.00 175.55 173.41 3mdi s ILE 161 N -3.75 4.56 0.94 -3.49 1.01 -1.26 -4.45 121.20 114.76 3mdi s ILE 161 Ca 0.04 0.81 -0.11 0.00 0.00 0.00 0.00 60.65 61.40 3mdi s ILE 161 Cb -0.02 -4.37 0.16 0.00 0.01 0.00 0.00 42.46 38.24 3mdi s ILE 161 CO -0.07 -0.70 1.11 -2.84 0.00 0.00 0.00 174.94 172.44 3mdi s PRO 162 N 3.54 0.84 0.42 2.79 0.02 -1.26 -4.93 135.00 136.42 3mdi s PRO 162 Ca 0.35 1.30 -0.26 0.00 0.02 0.00 0.00 61.00 62.42 3mdi s PRO 162 Cb -0.11 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 3mdi s PRO 162 CO 0.23 -2.67 1.30 0.00 -0.33 0.00 0.00 177.00 175.53 3mdi n ALA 163 N -4.24 1.43 -0.95 -1.55 0.00 -1.26 -2.73 120.51 111.21 3mdi n ALA 163 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3mdi n ALA 163 Cb 0.53 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3mdi n ALA 163 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mdi n HIS 164 N -0.16 0.00 -3.47 0.00 8.25 -1.26 -4.95 115.22 113.64 3mdi n HIS 164 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 3mdi n HIS 164 Cb 0.40 -0.89 -0.08 0.00 1.12 0.00 0.00 29.99 30.53 3mdi n HIS 164 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mdi s ILE 165 N -1.74 4.76 -0.08 1.59 -1.09 -1.11 -4.87 121.20 118.66 3mdi s ILE 165 Ca 0.00 -1.36 0.21 0.00 -2.23 0.00 0.00 60.65 57.27 3mdi s ILE 165 Cb 0.00 -3.94 -0.28 0.00 -1.58 0.00 0.00 42.46 36.66 3mdi s ILE 165 CO 0.00 -0.64 0.49 0.35 -1.23 0.00 0.00 174.94 173.91 3mdi n THR 166 N 5.08 0.36 -3.41 2.92 -2.24 -1.26 -4.66 114.28 111.06 3mdi n THR 166 Ca -0.11 -0.57 -0.27 0.00 -2.27 0.00 0.00 64.05 60.83 3mdi n THR 166 Cb 0.42 -0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.42 3mdi n THR 166 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mdi n LYS 167 N -2.42 2.32 -1.35 -0.78 4.76 -1.26 -5.09 118.16 114.33 3mdi n LYS 167 Ca -0.09 -4.52 -0.35 0.00 -2.87 0.00 0.00 58.31 50.49 3mdi n LYS 167 Cb 0.68 -2.15 0.11 0.00 -1.84 0.00 0.00 35.03 31.82 3mdi n LYS 167 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3mdi n PRO 168 N 0.95 0.55 0.09 1.97 -0.02 -1.26 -4.91 135.00 132.36 3mdi n PRO 168 Ca 0.29 0.26 0.06 0.00 -2.02 0.00 0.00 63.50 62.09 3mdi n PRO 168 Cb 0.42 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 3mdi n PRO 168 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3mdi h LYS 169 N -0.34 0.00 -2.42 -0.52 1.79 -0.57 -3.45 116.57 111.07 3mdi h LYS 169 Ca -0.48 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.90 3mdi h LYS 169 Cb 1.32 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.74 3mdi h LYS 169 CO 0.49 0.16 -0.08 -2.00 -1.08 0.00 0.00 179.45 176.95 3mdi s GLU 170 N -3.14 0.64 -0.17 3.15 2.12 -1.15 -1.72 118.70 118.44 3mdi s GLU 170 Ca -0.00 0.74 0.01 0.00 0.36 0.00 0.00 54.97 56.07 3mdi s GLU 170 Cb 0.09 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.80 3mdi s GLU 170 CO 0.79 -0.08 -0.19 -1.58 -0.54 0.00 0.00 175.26 173.66 3mdi s HIS 171 N 0.24 2.76 -0.12 5.30 5.65 -0.30 -1.45 115.29 127.36 3mdi s HIS 171 Ca -0.00 -1.43 -0.01 0.00 0.25 0.00 0.00 55.06 53.87 3mdi s HIS 171 Cb -0.04 -1.90 -0.02 0.00 -1.18 0.00 0.00 32.58 29.44 3mdi s HIS 171 CO 0.01 -0.69 -0.08 0.21 -0.65 0.00 0.00 174.74 173.55 3mdi s LYS 172 N 1.09 3.35 -0.07 2.88 2.20 0.55 -1.30 119.74 128.44 3mdi s LYS 172 Ca -0.00 -0.59 0.05 0.00 -0.36 0.00 0.00 55.97 55.08 3mdi s LYS 172 Cb -0.14 -2.74 -0.01 0.00 -1.51 0.00 0.00 37.83 33.43 3mdi s LYS 172 CO -0.07 0.34 -0.23 0.21 -0.36 0.00 0.00 175.35 175.24 3mdi s LYS 173 N 0.07 2.64 -0.12 4.03 2.20 -0.22 -0.76 119.74 127.58 3mdi s LYS 173 Ca -0.02 -0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 54.69 3mdi s LYS 173 Cb -0.14 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.91 3mdi s LYS 173 CO 0.03 0.38 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.89 3mdi s LEU 174 N -0.16 3.48 0.02 5.43 1.02 -0.35 -0.92 118.68 127.20 3mdi s LEU 174 Ca -0.03 0.04 0.05 0.00 0.02 0.00 0.00 54.13 54.20 3mdi s LEU 174 Cb -0.14 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.24 3mdi s LEU 174 CO 0.04 0.28 -0.14 -0.36 0.02 0.00 0.00 176.35 176.19 3mdi s PHE 175 N -0.32 1.21 -0.15 0.29 0.08 -0.47 -1.16 117.98 117.45 3mdi s PHE 175 Ca 0.06 -0.30 -0.26 0.00 0.12 0.00 0.00 56.93 56.55 3mdi s PHE 175 Cb -0.12 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.57 3mdi s PHE 175 CO 0.02 0.01 0.87 -1.17 -0.10 0.00 0.00 175.22 174.85 3mdi s LEU 176 N -0.83 4.19 -0.31 -0.37 2.96 -0.24 -0.81 118.68 123.27 3mdi s LEU 176 Ca 0.03 1.25 -0.10 0.00 -0.22 0.00 0.00 54.13 55.09 3mdi s LEU 176 Cb -0.07 -3.30 -0.01 0.00 0.50 0.00 0.00 46.19 43.31 3mdi s LEU 176 CO 0.01 -0.41 0.15 -0.69 -1.32 0.00 0.00 176.35 174.09 3mdi s VAL 177 N 2.10 4.67 -0.16 1.68 1.01 -0.59 -4.10 120.40 125.02 3mdi s VAL 177 Ca 0.40 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 3mdi s VAL 177 Cb -0.17 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 3mdi s VAL 177 CO 0.13 0.09 0.90 -1.10 0.00 0.00 0.00 175.10 175.13 3mdi s GLN 178 N 1.63 4.32 0.19 2.72 -0.21 0.01 -4.39 119.66 123.93 3mdi s GLN 178 Ca 0.05 1.16 -0.12 0.00 0.02 0.00 0.00 55.36 56.47 3mdi s GLN 178 Cb -0.17 -3.58 -0.07 0.00 1.00 0.00 0.00 33.01 30.20 3mdi s GLN 178 CO 0.07 -0.37 0.54 -0.51 -2.12 0.00 0.00 175.29 172.90 3mdi s LEU 179 N 2.27 4.25 1.00 2.90 1.43 -1.26 -3.80 118.68 125.46 3mdi s LEU 179 Ca 0.41 0.98 -0.14 0.00 -1.03 0.00 0.00 54.13 54.36 3mdi s LEU 179 Cb -0.17 -3.47 0.19 0.00 0.03 0.00 0.00 46.19 42.77 3mdi s LEU 179 CO 0.13 0.01 1.13 -1.10 0.23 0.00 0.00 176.35 176.75 3mdi s GLN 180 N -2.41 0.43 0.39 1.70 -1.52 -1.26 -4.94 119.66 112.05 3mdi s GLN 180 Ca 0.43 0.24 0.07 0.00 -1.95 0.00 0.00 55.36 54.14 3mdi s GLN 180 Cb -0.13 -1.76 0.78 0.00 -0.22 0.00 0.00 33.01 31.68 3mdi s GLN 180 CO 0.20 -2.67 1.98 1.49 -0.25 0.00 0.00 175.29 176.05 3mdi h GLU 181 N -1.84 0.48 -3.87 2.91 4.81 -1.97 -3.42 114.58 111.68 3mdi h GLU 181 Ca -0.51 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 58.47 3mdi h GLU 181 Cb 1.32 -0.09 -0.23 0.00 0.63 0.00 0.00 28.75 30.37 3mdi h GLU 181 CO 0.54 0.41 -0.70 0.15 -0.73 0.00 0.00 179.01 178.69 3mdi s LYS 182 N -5.21 0.21 0.05 1.92 1.02 -1.26 -4.76 119.74 111.71 3mdi s LYS 182 Ca -0.08 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.26 3mdi s LYS 182 Cb 0.16 0.08 0.08 0.00 -0.52 0.00 0.00 37.83 37.63 3mdi s LYS 182 CO 0.74 -0.03 0.67 0.00 -0.92 0.00 0.00 175.35 175.81 3mdi s ALA 183 N -0.94 -1.70 -0.10 5.17 0.00 -1.25 -5.04 121.76 117.89 3mdi s ALA 183 Ca -0.10 0.92 -0.00 0.00 0.00 0.00 0.00 51.96 52.77 3mdi s ALA 183 Cb -0.06 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 3mdi s ALA 183 CO -0.01 -0.58 -0.09 -1.17 0.00 0.00 0.00 175.76 173.91 3mdi s LEU 184 N -2.02 2.99 -0.03 0.00 0.20 -1.26 -1.03 118.68 117.53 3mdi s LEU 184 Ca -0.04 -0.16 0.05 0.00 0.69 0.00 0.00 54.13 54.68 3mdi s LEU 184 Cb -0.01 -1.67 -0.01 0.00 -0.43 0.00 0.00 46.19 44.08 3mdi s LEU 184 CO -0.03 0.26 -0.19 -0.36 -0.29 0.00 0.00 176.35 175.74 3mdi s PHE 185 N -0.18 1.78 -0.18 5.38 0.08 -0.26 -4.20 117.98 120.39 3mdi s PHE 185 Ca 0.02 -0.41 -0.03 0.00 0.12 0.00 0.00 56.93 56.62 3mdi s PHE 185 Cb -0.13 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 3mdi s PHE 185 CO 0.03 -0.09 -0.05 0.00 -0.10 0.00 0.00 175.22 175.01 3mdi s ALA 186 N -0.27 2.87 -0.19 5.36 0.00 -0.31 -0.27 121.76 128.95 3mdi s ALA 186 Ca 0.03 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 3mdi s ALA 186 Cb -0.09 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 3mdi s ALA 186 CO 0.01 -0.04 0.09 0.08 0.00 0.00 0.00 175.76 175.90 3mdi s VAL 187 N 0.81 5.06 0.14 0.00 1.01 -0.52 -4.04 120.40 122.87 3mdi s VAL 187 Ca -0.02 0.06 -0.35 0.00 0.00 0.00 0.00 61.98 61.68 3mdi s VAL 187 Cb -0.15 -3.29 -0.15 0.00 0.00 0.00 0.00 36.38 32.79 3mdi s VAL 187 CO 0.02 0.46 1.40 -2.65 0.00 0.00 0.00 175.10 174.32 3mdi n PRO 188 N 3.48 1.56 -0.24 2.72 -0.02 -1.26 -1.18 135.00 140.06 3mdi n PRO 188 Ca -0.16 0.56 0.29 0.00 -2.02 0.00 0.00 63.50 62.17 3mdi n PRO 188 Cb 0.52 -2.22 0.69 0.00 -0.02 0.00 0.00 33.50 32.47 3mdi n PRO 188 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3mdi h LYS 189 N 4.78 0.08 -0.00 -0.52 3.64 -0.80 0.15 116.57 123.90 3mdi h LYS 189 Ca -0.46 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3mdi h LYS 189 Cb 1.30 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3mdi h LYS 189 CO 0.80 0.05 -0.02 0.27 -2.27 0.00 0.00 179.45 178.28 3mdi n ASN 190 N -4.30 0.03 -4.75 4.20 6.94 -1.26 -4.78 115.26 111.34 3mdi n ASN 190 Ca 0.21 0.19 -0.27 0.00 -0.02 0.00 0.00 54.58 54.70 3mdi n ASN 190 Cb 1.02 -0.38 -0.06 0.00 -2.36 0.00 0.00 39.78 37.99 3mdi n ASN 190 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3mdi s TYR 191 N -2.81 3.04 0.13 -2.53 1.51 0.54 -4.55 117.35 112.67 3mdi s TYR 191 Ca 0.20 -0.06 0.05 0.00 -1.01 0.00 0.00 57.07 56.25 3mdi s TYR 191 Cb 0.19 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 3mdi s TYR 191 CO 0.51 0.52 0.07 0.15 -1.11 0.00 0.00 175.55 175.69 3mdi s LYS 192 N -3.01 2.74 -0.07 -0.62 -0.14 -0.63 -4.77 119.74 113.24 3mdi s LYS 192 Ca 0.30 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 54.05 3mdi s LYS 192 Cb -0.10 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.42 3mdi s LYS 192 CO 0.22 0.51 -0.06 -1.17 -0.76 0.00 0.00 175.35 174.09 3mdi s LEU 193 N -2.73 3.24 -0.02 3.17 2.96 -1.26 -0.38 118.68 123.66 3mdi s LEU 193 Ca 0.29 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 3mdi s LEU 193 Cb -0.11 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.88 3mdi s LEU 193 CO 0.21 0.36 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.88 3mdi s VAL 194 N -0.78 0.36 -0.39 1.68 1.01 0.63 -4.97 120.40 117.95 3mdi s VAL 194 Ca 0.12 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 3mdi s VAL 194 Cb -0.11 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3mdi s VAL 194 CO 0.02 0.15 0.30 0.00 0.00 0.00 0.00 175.10 175.56 3mdi s ALA 195 N 0.47 3.48 -0.28 5.51 0.00 -1.26 0.94 121.76 130.62 3mdi s ALA 195 Ca -0.05 -1.58 -0.10 0.00 0.00 0.00 0.00 51.96 50.22 3mdi s ALA 195 Cb -0.09 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 3mdi s ALA 195 CO -0.00 -1.32 0.16 0.00 0.00 0.00 0.00 175.76 174.60 3mdi s ALA 196 N 1.74 3.38 0.51 0.00 0.00 0.53 -4.84 121.76 123.08 3mdi s ALA 196 Ca 0.06 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 3mdi s ALA 196 Cb -0.18 -2.37 -0.07 0.00 0.00 0.00 0.00 23.12 20.50 3mdi s ALA 196 CO 0.11 -0.64 1.24 -0.35 0.00 0.00 0.00 175.76 176.12 3mdi n PRO 197 N 5.01 1.62 -0.14 0.00 -0.04 -1.26 -1.12 135.00 139.07 3mdi n PRO 197 Ca -0.14 0.59 0.02 0.00 -0.04 0.00 0.00 63.50 63.92 3mdi n PRO 197 Cb 0.51 -2.41 0.30 0.00 -0.04 0.00 0.00 33.50 31.86 3mdi n PRO 197 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3mdi h LEU 198 N 1.50 0.73 -1.28 1.53 3.38 -1.87 -1.65 115.31 117.65 3mdi h LEU 198 Ca -0.49 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.41 3mdi h LEU 198 Cb 1.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3mdi h LEU 198 CO 0.57 0.53 -0.07 2.19 0.09 0.00 0.00 178.44 181.76 3mdi h PHE 199 N 0.87 0.43 0.49 1.13 -0.00 -1.90 -1.00 116.94 116.95 3mdi h PHE 199 Ca 0.23 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.97 58.13 3mdi h PHE 199 Cb -0.10 -0.12 0.00 0.00 -0.00 0.00 0.00 35.95 35.74 3mdi h PHE 199 CO 0.00 0.48 -0.24 1.49 -0.00 0.00 0.00 178.31 180.04 3mdi h GLU 200 N 0.39 -0.64 -0.99 6.09 4.57 -1.67 0.45 114.58 122.79 3mdi h GLU 200 Ca 0.08 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.45 3mdi h GLU 200 Cb 0.37 0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 29.01 3mdi h GLU 200 CO 0.02 -0.42 0.61 -0.07 -1.18 0.00 0.00 179.01 177.97 3mdi h LEU 201 N -0.67 0.86 0.11 1.64 3.38 -1.25 0.53 115.31 119.91 3mdi h LEU 201 Ca -0.07 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3mdi h LEU 201 Cb 0.51 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.18 3mdi h LEU 201 CO 0.11 0.41 -0.67 0.22 0.09 0.00 0.00 178.44 178.60 3mdi h TYR 202 N 0.90 0.45 0.00 1.13 3.20 -0.98 -3.06 116.97 118.61 3mdi h TYR 202 Ca 0.52 -0.33 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 3mdi h TYR 202 Cb 0.62 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3mdi h TYR 202 CO -0.01 1.25 -0.48 -0.44 -1.64 0.00 0.00 178.16 176.84 3mdi h ASP 203 N -0.48 0.00 -1.94 -2.11 3.32 0.02 -3.28 116.42 111.95 3mdi h ASP 203 Ca -0.12 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.37 3mdi h ASP 203 Cb 1.52 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.66 3mdi h ASP 203 CO 0.13 0.48 -0.75 -3.20 -1.72 0.00 0.00 179.24 174.18 3mdi n ASN 204 N -3.54 4.10 -0.22 6.45 5.15 0.17 -4.93 115.26 122.45 3mdi n ASN 204 Ca -0.00 -3.59 0.01 0.00 -0.60 0.00 0.00 54.58 50.40 3mdi n ASN 204 Cb 0.59 -0.53 0.13 0.00 -0.53 0.00 0.00 39.78 39.44 3mdi n ASN 204 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mdi h ALA 205 N 2.85 0.86 -0.87 5.20 0.00 -1.60 -2.54 119.26 123.16 3mdi h ALA 205 Ca 0.17 0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.40 3mdi h ALA 205 Cb 0.71 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3mdi h ALA 205 CO 0.79 -0.20 0.60 -1.35 0.00 0.00 0.00 179.25 179.08 3mdi h PRO 206 N 0.41 0.19 0.00 0.00 0.11 -1.90 -1.64 132.00 129.18 3mdi h PRO 206 Ca 0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3mdi h PRO 206 Cb 0.45 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3mdi h PRO 206 CO -0.34 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 177.99 3mdi n GLY 207 N -1.61 -1.14 0.00 -0.55 0.00 -0.96 -3.73 105.19 97.20 3mdi n GLY 207 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3mdi n GLY 207 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mdi n TYR 208 N -1.49 0.00 0.00 1.61 4.01 -0.62 -4.87 117.16 115.80 3mdi n TYR 208 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3mdi n TYR 208 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 3mdi n TYR 208 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mdi n GLY 209 N 0.37 -1.55 0.22 2.72 0.00 -1.20 -4.14 105.19 101.62 3mdi n GLY 209 Ca 0.00 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.57 3mdi n GLY 209 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mdi h PRO 210 N 0.00 0.00 0.00 1.61 0.11 -1.94 -1.89 132.00 129.89 3mdi h PRO 210 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3mdi h PRO 210 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3mdi h PRO 210 CO 0.00 0.21 -0.08 0.82 -0.21 0.00 0.00 178.00 178.74 3mdi h ILE 211 N 0.00 0.00 -0.75 4.15 2.04 -1.96 -3.26 117.51 117.73 3mdi h ILE 211 Ca -0.00 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.06 3mdi h ILE 211 Cb 0.85 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3mdi h ILE 211 CO 0.03 0.00 0.50 0.40 0.00 0.00 0.00 178.15 179.07 3mdi h ILE 212 N -0.82 1.15 0.00 -0.67 2.04 -1.72 -2.88 117.51 114.60 3mdi h ILE 212 Ca 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3mdi h ILE 212 Cb 0.08 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3mdi h ILE 212 CO 0.00 0.17 0.00 -1.54 0.00 0.00 0.00 178.15 176.78 3mdi n SER 213 N -4.44 0.70 -1.21 1.72 3.41 -0.71 -2.03 113.62 111.06 3mdi n SER 213 Ca 0.09 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.45 3mdi n SER 213 Cb 0.09 -0.81 0.29 0.00 -0.26 0.00 0.00 64.21 63.51 3mdi n SER 213 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mdi n SER 214 N -2.25 3.90 -0.16 4.04 3.41 -1.09 -4.37 113.62 117.09 3mdi n SER 214 Ca 0.03 -2.16 -0.02 0.00 -0.26 0.00 0.00 58.87 56.46 3mdi n SER 214 Cb 0.26 -0.45 0.21 0.00 -0.26 0.00 0.00 64.21 63.98 3mdi n SER 214 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mdi h LEU 215 N 3.54 0.81 -0.64 1.04 3.38 -1.41 -2.05 115.31 119.98 3mdi h LEU 215 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3mdi h LEU 215 Cb 1.06 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3mdi h LEU 215 CO 0.07 0.71 0.41 -0.65 0.09 0.00 0.00 178.44 179.07 3mdi h PRO 216 N 0.88 0.85 -0.37 1.13 0.11 -1.80 0.98 132.00 133.78 3mdi h PRO 216 Ca 0.21 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.30 3mdi h PRO 216 Cb 0.14 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.03 3mdi h PRO 216 CO -0.02 0.58 0.14 1.96 -0.21 0.00 0.00 178.00 180.44 3mdi h GLN 217 N 0.86 0.29 0.00 1.05 7.50 -1.83 -2.10 115.11 120.88 3mdi h GLN 217 Ca 0.23 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.36 3mdi h GLN 217 Cb -0.07 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.39 3mdi h GLN 217 CO -0.05 0.19 0.00 -0.07 -1.50 0.00 0.00 178.83 177.40 3mdi h LEU 218 N 0.30 0.00 0.00 1.46 3.38 -0.86 -2.88 115.31 116.71 3mdi h LEU 218 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3mdi h LEU 218 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3mdi h LEU 218 CO -0.16 0.00 -0.88 0.18 0.09 0.00 0.00 178.44 177.67 3mdi n LEU 219 N -3.00 0.73 0.23 1.67 4.77 0.29 -4.46 117.00 117.24 3mdi n LEU 219 Ca 0.00 -0.22 0.07 0.00 -0.03 0.00 0.00 56.01 55.83 3mdi n LEU 219 Cb 0.27 -0.10 0.55 0.00 -2.33 0.00 0.00 43.42 41.82 3mdi n LEU 219 CO 0.26 0.16 0.92 0.77 -1.33 0.00 0.00 177.39 178.16 3mdi h SER 220 N 0.00 0.00 0.83 -1.43 4.64 -1.15 -1.94 113.55 114.50 3mdi h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mdi h SER 220 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3mdi h SER 220 CO 0.00 0.17 0.00 0.08 -0.87 0.00 0.00 176.83 176.21 3mdi h ARG 221 N 0.00 0.00 -6.92 4.77 0.11 -1.78 -3.45 114.38 107.11 3mdi h ARG 221 Ca -0.00 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.61 3mdi h ARG 221 Cb 0.32 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 3mdi h ARG 221 CO 0.02 0.00 0.36 -0.06 0.10 0.00 0.00 179.97 180.39 3mdi s PHE 222 N -3.63 3.55 -0.89 4.08 0.08 -0.73 -4.56 117.98 115.89 3mdi s PHE 222 Ca 0.01 1.73 -0.14 0.00 0.12 0.00 0.00 56.93 58.65 3mdi s PHE 222 Cb 0.09 -2.97 0.22 0.00 -0.57 0.00 0.00 43.02 39.79 3mdi s PHE 222 CO 0.49 -0.03 0.86 1.21 -0.10 0.00 0.00 175.22 177.65 3mdi s ASN 223 N -1.65 6.84 -0.02 1.36 3.04 0.51 -5.01 114.94 120.01 3mdi s ASN 223 Ca 0.53 -2.76 -0.30 0.00 0.04 0.00 0.00 52.86 50.37 3mdi s ASN 223 Cb -0.19 -2.23 -0.04 0.00 -1.54 0.00 0.00 41.25 37.25 3mdi s ASN 223 CO 0.24 -0.58 1.20 -0.36 -3.04 0.00 0.00 177.10 174.55 3mdi s PHE 224 N 0.24 3.26 -0.14 0.43 0.08 -1.26 -1.70 117.98 118.89 3mdi s PHE 224 Ca 0.22 1.24 -0.15 0.00 0.12 0.00 0.00 56.93 58.35 3mdi s PHE 224 Cb -0.09 -3.42 -0.05 0.00 -0.57 0.00 0.00 43.02 38.89 3mdi s PHE 224 CO -0.09 -1.31 0.36 0.42 -0.10 0.00 0.00 175.22 174.51 3mdi s ILE 225 N 1.84 5.26 -1.09 0.64 -1.09 0.22 -4.93 121.20 122.04 3mdi s ILE 225 Ca 0.57 0.70 -0.14 0.00 -2.23 0.00 0.00 60.65 59.55 3mdi s ILE 225 Cb -0.26 -3.70 0.18 0.00 -1.58 0.00 0.00 42.46 37.10 3mdi s ILE 225 CO 0.24 0.38 1.25 -0.31 -1.23 0.00 0.00 174.94 175.27 3mdi s TYR 226 N 0.45 3.57 0.00 3.97 2.02 -1.26 -0.69 117.35 125.40 3mdi s TYR 226 Ca 0.20 -2.04 0.00 0.00 -0.37 0.00 0.00 57.07 54.86 3mdi s TYR 226 Cb -0.14 -4.18 0.00 0.00 -0.40 0.00 0.00 41.96 37.24 3mdi s TYR 226 CO 0.06 -1.31 0.00 0.09 -1.57 0.00 0.00 175.55 172.83