#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mck n SER 2 N 0.00 5.95 -1.60 3.54 7.64 -1.26 -4.58 113.62 123.31 1mck n SER 2 Ca 0.00 -2.57 0.08 0.00 1.01 0.00 0.00 58.87 57.39 1mck n SER 2 Cb 0.00 -1.42 0.36 0.00 -1.01 0.00 0.00 64.21 62.14 1mck n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mck n ALA 3 N 2.51 3.38 -3.57 -0.43 0.00 -1.26 -4.69 120.51 116.45 1mck n ALA 3 Ca 0.49 -1.82 -0.29 0.00 0.00 0.00 0.00 53.44 51.83 1mck n ALA 3 Cb 0.77 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.07 1mck n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mck s LEU 4 N -2.33 0.94 -0.05 0.00 1.43 -1.26 -1.17 118.68 116.23 1mck s LEU 4 Ca 0.51 -1.47 -0.30 0.00 -1.03 0.00 0.00 54.13 51.83 1mck s LEU 4 Cb 0.36 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 1mck s LEU 4 CO 0.19 -0.42 1.34 -0.89 0.23 0.00 0.00 176.35 176.80 1mck s THR 5 N 1.87 3.95 0.02 5.49 2.01 0.67 -1.24 115.64 128.41 1mck s THR 5 Ca 0.10 1.28 0.08 0.00 0.31 0.00 0.00 61.69 63.46 1mck s THR 5 Cb -0.17 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1mck s THR 5 CO -0.30 -0.03 -0.23 -1.10 -0.69 0.00 0.00 174.62 172.27 1mck s GLN 6 N 2.66 1.69 0.65 4.92 -0.21 -1.26 -0.52 119.66 127.58 1mck s GLN 6 Ca 0.61 -0.94 -0.17 0.00 0.02 0.00 0.00 55.36 54.88 1mck s GLN 6 Cb -0.28 -1.75 -0.05 0.00 1.00 0.00 0.00 33.01 31.93 1mck s GLN 6 CO 0.23 0.46 0.71 -2.30 -2.12 0.00 0.00 175.29 172.27 1mck n PRO 7 N 2.09 0.54 -0.01 2.91 -0.02 -1.26 -4.61 135.00 134.65 1mck n PRO 7 Ca -0.16 0.22 -0.13 0.00 -2.02 0.00 0.00 63.50 61.41 1mck n PRO 7 Cb 0.52 -1.94 -0.09 0.00 -0.02 0.00 0.00 33.50 31.98 1mck n PRO 7 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1mck h PRO 8 N 0.04 0.03 -2.88 0.52 0.13 -1.85 -3.32 132.00 124.67 1mck h PRO 8 Ca -0.47 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1mck h PRO 8 Cb 1.37 -0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.24 1mck h PRO 8 CO 0.47 0.38 -0.32 -1.54 -0.23 0.00 0.00 178.00 176.75 1mck s SER 9 N -5.59 -0.37 0.11 1.44 1.04 -1.24 -2.90 113.70 106.19 1mck s SER 9 Ca -0.15 0.70 0.08 0.00 0.48 0.00 0.00 55.95 57.06 1mck s SER 9 Cb 0.03 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 1mck s SER 9 CO 0.68 -0.13 -0.20 0.00 0.98 0.00 0.00 173.24 174.57 1mck s ALA 10 N 0.38 1.80 -0.13 5.32 0.00 0.16 -4.37 121.76 124.93 1mck s ALA 10 Ca -0.02 -1.28 -0.28 0.00 0.00 0.00 0.00 51.96 50.38 1mck s ALA 10 Cb -0.04 -0.22 0.07 0.00 0.00 0.00 0.00 23.12 22.93 1mck s ALA 10 CO -0.02 0.32 0.67 -1.54 0.00 0.00 0.00 175.76 175.19 1mck s SER 11 N -2.08 -0.66 0.29 0.00 1.04 -1.26 -0.71 113.70 110.33 1mck s SER 11 Ca 0.08 0.95 -0.19 0.00 0.48 0.00 0.00 55.95 57.26 1mck s SER 11 Cb -0.09 0.86 0.02 0.00 0.10 0.00 0.00 66.02 66.91 1mck s SER 11 CO 0.05 -0.47 0.70 -0.83 0.98 0.00 0.00 173.24 173.67 1mck s GLY 12 N -0.62 0.07 0.64 7.32 0.00 -0.44 -4.95 107.32 109.34 1mck s GLY 12 Ca -0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.18 1mck s GLY 12 CO 0.06 -0.20 0.90 -0.56 0.00 0.00 0.00 173.10 173.31 1mck s SER 13 N -2.96 4.87 -0.09 1.64 0.01 -1.26 -0.29 113.70 115.63 1mck s SER 13 Ca 0.13 0.02 -0.29 0.00 1.31 0.00 0.00 55.95 57.13 1mck s SER 13 Cb -0.05 -0.70 -0.07 0.00 0.21 0.00 0.00 66.02 65.41 1mck s SER 13 CO 0.08 -1.48 2.10 -0.76 0.41 0.00 0.00 173.24 173.59 1mck s LEU 14 N -5.01 3.95 0.00 2.44 2.01 -1.26 -1.50 118.68 119.31 1mck s LEU 14 Ca 0.61 2.30 0.00 0.00 0.01 0.00 0.00 54.13 57.05 1mck s LEU 14 Cb -0.09 -3.52 0.00 0.00 0.01 0.00 0.00 46.19 42.59 1mck s LEU 14 CO 0.42 -1.50 0.00 0.61 1.01 0.00 0.00 176.35 176.89 1mck n GLY 15 N 5.14 1.14 3.85 -3.19 0.00 0.02 -4.92 105.19 107.23 1mck n GLY 15 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 1mck n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mck s GLN 16 N -0.25 3.89 -1.12 1.61 -0.21 -0.56 -4.34 119.66 118.67 1mck s GLN 16 Ca 0.00 0.36 -0.22 0.00 0.02 0.00 0.00 55.36 55.52 1mck s GLN 16 Cb 0.00 -3.06 0.02 0.00 1.00 0.00 0.00 33.01 30.97 1mck s GLN 16 CO 0.00 0.59 1.70 -1.12 -2.12 0.00 0.00 175.29 174.34 1mck s SER 17 N -1.50 6.16 -0.53 5.90 0.01 -1.25 -3.07 113.70 119.41 1mck s SER 17 Ca 0.31 -1.69 -0.25 0.00 1.31 0.00 0.00 55.95 55.63 1mck s SER 17 Cb -0.15 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.54 1mck s SER 17 CO 0.17 -1.85 0.97 -0.69 0.41 0.00 0.00 173.24 172.25 1mck s VAL 18 N 6.53 4.36 0.03 3.43 1.01 0.31 -4.78 120.40 131.29 1mck s VAL 18 Ca 0.56 0.47 -0.16 0.00 0.00 0.00 0.00 61.98 62.85 1mck s VAL 18 Cb 0.00 -4.54 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 1mck s VAL 18 CO 0.01 -1.08 0.46 -0.89 0.00 0.00 0.00 175.10 173.61 1mck s THR 19 N 4.03 4.93 -0.01 3.92 2.01 -1.26 -1.67 115.64 127.60 1mck s THR 19 Ca 0.34 0.96 0.01 0.00 0.31 0.00 0.00 61.69 63.30 1mck s THR 19 Cb -0.11 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1mck s THR 19 CO 0.22 0.57 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.07 1mck s ILE 20 N -1.09 0.15 0.16 1.82 1.01 -0.10 -4.98 121.20 118.17 1mck s ILE 20 Ca 0.26 -0.05 0.11 0.00 0.00 0.00 0.00 60.65 60.97 1mck s ILE 20 Cb -0.18 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 1mck s ILE 20 CO 0.15 0.06 -0.25 -0.94 0.00 0.00 0.00 174.94 173.97 1mck s SER 21 N 0.16 3.29 -0.28 3.58 1.04 -1.26 -0.25 113.70 119.98 1mck s SER 21 Ca -0.01 -0.81 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 1mck s SER 21 Cb -0.03 -0.23 0.09 0.00 0.10 0.00 0.00 66.02 65.95 1mck s SER 21 CO -0.00 0.13 0.10 0.00 0.98 0.00 0.00 173.24 174.45 1mck s THR 23 N 1.86 4.78 -0.13 0.00 2.01 0.32 -0.75 115.64 123.74 1mck s THR 23 Ca 0.07 -0.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.99 1mck s THR 23 Cb -0.17 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1mck s THR 23 CO -0.26 0.31 0.14 -0.83 -0.69 0.00 0.00 174.62 173.28 1mck s GLY 24 N 1.59 2.14 0.30 4.40 0.00 -0.76 -0.24 107.32 114.76 1mck s GLY 24 Ca 0.06 -0.65 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 1mck s GLY 24 CO 0.07 -0.33 1.17 -0.51 0.00 0.00 0.00 173.10 173.49 1mck s THR 25 N -0.89 3.23 0.00 0.90 -4.23 -0.32 -4.86 115.64 109.48 1mck s THR 25 Ca 0.14 1.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.89 1mck s THR 25 Cb -0.12 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.94 1mck s THR 25 CO 0.03 0.29 0.00 -1.20 -0.54 0.00 0.00 174.62 173.20 1mck n SER 26 N 1.03 0.00 0.00 3.99 7.64 -1.26 -4.56 113.62 120.46 1mck n SER 26 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1mck n SER 26 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1mck n SER 26 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1mck n SER 27 N 0.00 0.00 -3.68 6.43 7.64 -1.26 -3.44 113.62 119.31 1mck n SER 27 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1mck n SER 27 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1mck n SER 27 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1mck n ASP 28 N 0.00 5.64 -4.71 6.43 5.68 -1.26 -4.91 116.55 123.42 1mck n ASP 28 Ca 0.00 -2.95 -0.42 0.00 -0.50 0.00 0.00 54.79 50.92 1mck n ASP 28 Cb 0.00 -1.53 -0.03 0.00 -1.14 0.00 0.00 41.12 38.42 1mck n ASP 28 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1mck s VAL 29 N 1.35 3.99 -1.40 2.12 0.11 -1.22 -0.65 120.40 124.69 1mck s VAL 29 Ca 0.48 1.41 -0.07 0.00 -2.93 0.00 0.00 61.98 60.87 1mck s VAL 29 Cb 0.14 -3.90 0.04 0.00 -1.53 0.00 0.00 36.38 31.12 1mck s VAL 29 CO -0.05 0.08 0.51 0.61 -3.33 0.00 0.00 175.10 172.92 1mck n GLY 30 N 3.30 -0.50 0.00 6.54 0.00 -1.26 -4.78 105.19 108.49 1mck n GLY 30 Ca 0.10 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1mck n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mck n GLY 31 N -1.31 0.00 2.79 -0.02 0.00 -0.03 -4.83 105.19 101.79 1mck n GLY 31 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1mck n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mck s TYR 32 N -1.19 2.30 -0.77 1.61 1.51 0.18 -4.95 117.35 116.03 1mck s TYR 32 Ca 0.00 -2.36 -0.03 0.00 -1.01 0.00 0.00 57.07 53.66 1mck s TYR 32 Cb 0.00 -2.09 0.17 0.00 -0.11 0.00 0.00 41.96 39.93 1mck s TYR 32 CO 0.00 -0.84 2.42 -1.71 -1.11 0.00 0.00 175.55 174.32 1mck n ASN 33 N 4.06 7.12 -2.75 2.29 5.15 -1.26 -4.40 115.26 125.46 1mck n ASN 33 Ca 0.04 -3.40 -0.09 0.00 -0.60 0.00 0.00 54.58 50.53 1mck n ASN 33 Cb 0.38 -1.21 0.07 0.00 -0.53 0.00 0.00 39.78 38.49 1mck n ASN 33 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mck n TYR 34 N 0.60 -2.94 -4.06 1.20 4.19 -1.26 -4.39 117.16 110.51 1mck n TYR 34 Ca 0.52 -2.06 -0.30 0.00 3.31 0.00 0.00 57.90 59.37 1mck n TYR 34 Cb 0.39 1.56 -0.07 0.00 0.49 0.00 0.00 39.34 41.71 1mck n TYR 34 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 1mck s VAL 35 N 0.33 4.49 -0.04 2.97 1.01 -1.26 -4.10 120.40 123.81 1mck s VAL 35 Ca 0.25 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1mck s VAL 35 Cb 0.27 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.52 1mck s VAL 35 CO -0.11 0.13 0.01 -0.44 0.00 0.00 0.00 175.10 174.69 1mck s SER 36 N -2.38 0.74 -0.10 3.32 0.01 -0.51 -1.11 113.70 113.67 1mck s SER 36 Ca 0.29 -0.01 -0.19 0.00 1.31 0.00 0.00 55.95 57.35 1mck s SER 36 Cb -0.12 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 1mck s SER 36 CO 0.22 -0.15 0.52 0.26 0.41 0.00 0.00 173.24 174.50 1mck s TRP 37 N 1.41 3.54 -0.03 2.43 0.52 -0.13 -1.05 118.94 125.62 1mck s TRP 37 Ca -0.04 0.97 0.02 0.00 0.02 0.00 0.00 56.10 57.07 1mck s TRP 37 Cb -0.13 -2.60 0.00 0.00 -1.15 0.00 0.00 33.47 29.60 1mck s TRP 37 CO -0.03 0.17 -0.09 0.71 0.02 0.00 0.00 176.95 177.73 1mck s TYR 38 N 0.59 0.98 0.75 -1.98 1.51 0.60 -0.00 117.35 119.80 1mck s TYR 38 Ca 0.28 -0.25 -0.10 0.00 -1.01 0.00 0.00 57.07 55.99 1mck s TYR 38 Cb -0.16 -0.71 0.07 0.00 -0.11 0.00 0.00 41.96 41.05 1mck s TYR 38 CO 0.12 -0.12 1.10 -0.65 -1.11 0.00 0.00 175.55 174.89 1mck s GLN 39 N 0.27 2.15 -0.25 -0.62 -0.21 0.47 -0.48 119.66 120.98 1mck s GLN 39 Ca -0.04 -0.02 -0.09 0.00 0.02 0.00 0.00 55.36 55.22 1mck s GLN 39 Cb -0.09 -2.05 0.10 0.00 1.00 0.00 0.00 33.01 31.97 1mck s GLN 39 CO 0.01 -1.39 0.55 -0.65 -2.12 0.00 0.00 175.29 171.69 1mck s GLN 40 N -5.41 0.48 0.58 2.91 -0.21 -0.33 -2.50 119.66 115.17 1mck s GLN 40 Ca 0.61 1.22 -0.03 0.00 0.02 0.00 0.00 55.36 57.18 1mck s GLN 40 Cb -0.11 0.53 0.02 0.00 1.00 0.00 0.00 33.01 34.45 1mck s GLN 40 CO 0.47 -0.21 0.85 -1.01 -2.12 0.00 0.00 175.29 173.27 1mck s HIS 41 N 2.55 3.09 0.23 0.91 3.76 -1.26 -0.28 115.29 124.28 1mck s HIS 41 Ca -0.05 0.38 -0.32 0.00 -0.15 0.00 0.00 55.06 54.92 1mck s HIS 41 Cb -0.11 -2.75 -0.13 0.00 1.11 0.00 0.00 32.58 30.70 1mck s HIS 41 CO -0.16 -0.86 1.53 0.00 -0.85 0.00 0.00 174.74 174.40 1mck n ALA 42 N -2.50 1.69 -0.62 -1.40 0.00 -1.26 -1.76 120.51 114.66 1mck n ALA 42 Ca 0.05 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1mck n ALA 42 Cb 0.59 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1mck n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mck n GLY 43 N 2.70 0.43 0.00 0.00 0.00 -1.26 -4.95 105.19 102.12 1mck n GLY 43 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1mck n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mck n LYS 44 N -2.00 3.51 -4.16 1.61 4.76 -0.72 -5.15 118.16 116.00 1mck n LYS 44 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1mck n LYS 44 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 1mck n LYS 44 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mck s ALA 45 N -3.14 0.95 -0.85 7.82 0.00 -1.26 -4.84 121.76 120.43 1mck s ALA 45 Ca 0.00 -1.55 -0.25 0.00 0.00 0.00 0.00 51.96 50.16 1mck s ALA 45 Cb 0.00 1.20 -0.04 0.00 0.00 0.00 0.00 23.12 24.28 1mck s ALA 45 CO 0.00 -0.58 1.92 -2.14 0.00 0.00 0.00 175.76 174.96 1mck s PRO 46 N -4.11 2.58 -0.31 0.00 0.02 -1.25 -4.64 135.00 127.29 1mck s PRO 46 Ca 0.33 -0.13 -0.29 0.00 0.02 0.00 0.00 61.00 60.93 1mck s PRO 46 Cb 0.07 -4.94 -0.01 0.00 0.02 0.00 0.00 34.50 29.64 1mck s PRO 46 CO 0.08 -3.24 1.58 0.21 -0.33 0.00 0.00 177.00 175.31 1mck s LYS 47 N 6.98 3.62 -0.13 5.54 2.20 -1.04 -4.71 119.74 132.20 1mck s LYS 47 Ca 0.69 1.36 -0.29 0.00 -0.36 0.00 0.00 55.97 57.37 1mck s LYS 47 Cb -0.08 -4.06 -0.05 0.00 -1.51 0.00 0.00 37.83 32.13 1mck s LYS 47 CO 0.03 -1.51 1.83 0.54 -0.36 0.00 0.00 175.35 175.89 1mck s VAL 48 N 5.65 3.37 -2.06 4.02 0.11 -1.26 -0.40 120.40 129.84 1mck s VAL 48 Ca 0.70 0.43 0.18 0.00 -2.93 0.00 0.00 61.98 60.35 1mck s VAL 48 Cb -0.20 -3.36 0.10 0.00 -1.53 0.00 0.00 36.38 31.39 1mck s VAL 48 CO 0.31 -0.13 1.02 2.30 -3.33 0.00 0.00 175.10 175.26 1mck n ILE 49 N 6.33 0.00 -3.67 7.04 -5.35 1.00 -4.70 119.36 120.01 1mck n ILE 49 Ca 0.21 -0.45 -0.10 0.00 -0.27 0.00 0.00 62.75 62.14 1mck n ILE 49 Cb 0.44 1.33 -0.09 0.00 -1.74 0.00 0.00 39.64 39.58 1mck n ILE 49 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1mck s ILE 50 N -1.61 -0.01 0.26 7.28 -1.09 -0.79 -4.13 121.20 121.11 1mck s ILE 50 Ca 0.19 0.03 0.06 0.00 -2.23 0.00 0.00 60.65 58.70 1mck s ILE 50 Cb 0.15 -0.81 -0.06 0.00 -1.58 0.00 0.00 42.46 40.16 1mck s ILE 50 CO 0.28 0.01 -0.05 -0.72 -1.23 0.00 0.00 174.94 173.23 1mck s TYR 51 N 1.22 1.83 -0.84 3.97 1.13 0.10 -0.96 117.35 123.81 1mck s TYR 51 Ca -0.07 -0.75 -0.06 0.00 -1.41 0.00 0.00 57.07 54.77 1mck s TYR 51 Cb -0.06 -1.04 0.01 0.00 -1.10 0.00 0.00 41.96 39.77 1mck s TYR 51 CO -0.12 0.20 0.57 0.39 -2.51 0.00 0.00 175.55 174.08 1mck n GLU 52 N -0.53 -1.23 0.00 -3.49 1.02 -1.07 -0.49 120.64 114.86 1mck n GLU 52 Ca -0.06 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1mck n GLU 52 Cb 0.63 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1mck n GLU 52 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1mck n VAL 53 N -2.93 0.00 0.34 2.62 0.31 -0.27 -2.59 118.33 115.81 1mck n VAL 53 Ca -0.27 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.13 1mck n VAL 53 Cb 0.63 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.67 1mck n VAL 53 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1mck n ASN 54 N 0.45 2.56 -4.71 4.52 6.94 -1.24 -4.22 115.26 119.56 1mck n ASN 54 Ca 0.00 -1.74 -0.39 0.00 -0.02 0.00 0.00 54.58 52.43 1mck n ASN 54 Cb 0.00 -0.10 -0.06 0.00 -2.36 0.00 0.00 39.78 37.26 1mck n ASN 54 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1mck s LYS 55 N -1.16 4.32 -0.02 -3.83 1.02 0.36 -4.75 119.74 115.69 1mck s LYS 55 Ca 0.22 0.53 -0.25 0.00 0.02 0.00 0.00 55.97 56.48 1mck s LYS 55 Cb 0.14 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1mck s LYS 55 CO 0.19 0.07 0.78 1.03 -0.92 0.00 0.00 175.35 176.50 1mck s ARG 56 N 0.90 4.48 0.76 1.68 0.52 -1.26 0.01 118.95 126.04 1mck s ARG 56 Ca 0.28 1.05 -0.12 0.00 -0.52 0.00 0.00 55.73 56.42 1mck s ARG 56 Cb -0.16 -3.42 0.04 0.00 0.52 0.00 0.00 34.95 31.94 1mck s ARG 56 CO 0.11 0.11 1.11 -1.25 0.02 0.00 0.00 175.30 175.41 1mck s PRO 57 N 0.56 2.44 -0.35 3.54 0.04 -1.26 -4.90 135.00 135.06 1mck s PRO 57 Ca 0.41 0.44 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 1mck s PRO 57 Cb -0.19 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1mck s PRO 57 CO 0.22 -1.33 2.30 0.45 0.04 0.00 0.00 177.00 178.67 1mck n SER 58 N -3.20 2.65 0.00 6.66 2.88 -1.26 -1.36 113.62 119.98 1mck n SER 58 Ca 0.07 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1mck n SER 58 Cb 0.58 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1mck n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mck n GLY 59 N 6.03 0.97 3.65 0.46 0.00 -1.26 -5.04 105.19 109.99 1mck n GLY 59 Ca 0.36 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 1mck n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mck s VAL 60 N -2.00 4.28 0.08 1.61 1.01 -0.47 -4.97 120.40 119.94 1mck s VAL 60 Ca 0.00 1.52 -0.33 0.00 0.00 0.00 0.00 61.98 63.17 1mck s VAL 60 Cb 0.00 -4.08 -0.13 0.00 0.00 0.00 0.00 36.38 32.17 1mck s VAL 60 CO 0.00 -0.25 1.72 -0.81 0.00 0.00 0.00 175.10 175.76 1mck n PRO 61 N 6.80 2.28 0.24 2.72 -0.04 -1.26 -4.87 135.00 140.86 1mck n PRO 61 Ca 0.14 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.43 1mck n PRO 61 Cb 0.45 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1mck n PRO 61 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1mck n ASP 62 N 4.81 0.00 -0.31 3.54 8.00 -1.26 -0.87 116.55 130.46 1mck n ASP 62 Ca 0.19 0.37 -0.04 0.00 0.71 0.00 0.00 54.79 56.02 1mck n ASP 62 Cb 0.30 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.48 1mck n ASP 62 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1mck h ARG 63 N 0.00 1.17 -4.89 -1.24 2.43 -1.92 -3.35 114.38 106.58 1mck h ARG 63 Ca 0.00 -0.13 -0.59 0.00 -0.81 0.00 0.00 59.98 58.46 1mck h ARG 63 Cb 1.62 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.92 1mck h ARG 63 CO 0.00 0.85 2.15 1.19 -1.51 0.00 0.00 179.97 182.65 1mck n PHE 64 N -4.40 2.97 -1.01 2.20 3.01 -0.05 -1.37 117.46 118.82 1mck n PHE 64 Ca 0.09 -2.16 -0.29 0.00 1.01 0.00 0.00 57.45 56.09 1mck n PHE 64 Cb 0.08 -2.30 0.21 0.00 -0.01 0.00 0.00 39.48 37.46 1mck n PHE 64 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1mck s SER 65 N 4.84 1.84 -0.22 4.37 0.01 0.74 -4.85 113.70 120.42 1mck s SER 65 Ca 0.57 1.12 -0.27 0.00 1.31 0.00 0.00 55.95 58.68 1mck s SER 65 Cb 0.09 -1.73 0.10 0.00 0.21 0.00 0.00 66.02 64.69 1mck s SER 65 CO 0.07 -3.61 0.91 -0.83 0.41 0.00 0.00 173.24 170.19 1mck s GLY 66 N -3.35 -0.32 0.27 3.44 0.00 -1.26 -1.98 107.32 104.12 1mck s GLY 66 Ca 0.67 2.23 -0.20 0.00 0.00 0.00 0.00 44.72 47.41 1mck s GLY 66 CO 0.59 1.54 0.86 -1.35 0.00 0.00 0.00 173.10 174.74 1mck s SER 67 N -0.19 -0.10 -0.35 1.64 1.04 -0.70 -4.66 113.70 110.39 1mck s SER 67 Ca -0.00 -0.76 0.15 0.00 0.48 0.00 0.00 55.95 55.82 1mck s SER 67 Cb -0.03 0.67 0.41 0.00 0.10 0.00 0.00 66.02 67.17 1mck s SER 67 CO -0.01 -1.30 0.91 1.17 0.98 0.00 0.00 173.24 174.99 1mck n LYS 68 N -0.53 1.08 -0.09 4.02 4.81 -1.26 0.17 118.16 126.36 1mck n LYS 68 Ca -0.06 -3.16 0.07 0.00 -0.87 0.00 0.00 58.31 54.29 1mck n LYS 68 Cb 0.60 -1.32 0.12 0.00 0.02 0.00 0.00 35.03 34.45 1mck n LYS 68 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1mck n SER 69 N 0.03 0.02 0.00 3.14 7.64 -0.78 -4.30 113.62 119.38 1mck n SER 69 Ca 0.13 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1mck n SER 69 Cb 0.76 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1mck n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mck n GLY 70 N -1.11 3.07 1.66 0.23 0.00 -1.26 -4.95 105.19 102.84 1mck n GLY 70 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1mck n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mck n ASN 71 N 0.00 0.00 -3.77 1.61 4.05 -1.26 -4.53 115.26 111.36 1mck n ASN 71 Ca 0.00 0.00 -0.27 0.00 0.45 0.00 0.00 54.58 54.76 1mck n ASN 71 Cb 0.00 0.00 -0.17 0.00 1.23 0.00 0.00 39.78 40.84 1mck n ASN 71 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1mck s THR 72 N 0.00 0.63 0.18 -0.44 2.01 -1.26 -1.82 115.64 114.94 1mck s THR 72 Ca 0.00 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 1mck s THR 72 Cb 0.00 -1.04 -0.07 0.00 0.01 0.00 0.00 72.50 71.40 1mck s THR 72 CO 0.00 -0.10 1.04 0.00 -0.69 0.00 0.00 174.62 174.87 1mck s ALA 73 N 1.82 3.34 -0.25 7.40 0.00 0.07 -1.86 121.76 132.28 1mck s ALA 73 Ca -0.00 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 1mck s ALA 73 Cb -0.16 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 19.73 1mck s ALA 73 CO -0.07 -0.10 0.11 -1.12 0.00 0.00 0.00 175.76 174.58 1mck s SER 74 N -0.30 3.23 0.61 0.00 0.01 0.13 -0.95 113.70 116.42 1mck s SER 74 Ca 0.47 -1.11 -0.16 0.00 1.31 0.00 0.00 55.95 56.46 1mck s SER 74 Cb -0.27 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.52 1mck s SER 74 CO 0.34 -0.40 1.08 -0.22 0.41 0.00 0.00 173.24 174.44 1mck s LEU 75 N 2.02 3.49 -0.20 2.44 2.96 0.66 -1.72 118.68 128.33 1mck s LEU 75 Ca 0.06 1.90 -0.04 0.00 -0.22 0.00 0.00 54.13 55.83 1mck s LEU 75 Cb -0.16 -4.54 0.10 0.00 0.50 0.00 0.00 46.19 42.09 1mck s LEU 75 CO -0.25 -1.30 0.33 -0.89 -1.32 0.00 0.00 176.35 172.92 1mck s THR 76 N -2.36 -0.53 -0.48 3.68 2.01 -0.84 -0.92 115.64 116.20 1mck s THR 76 Ca 0.65 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 62.48 1mck s THR 76 Cb -0.18 -0.69 0.04 0.00 0.01 0.00 0.00 72.50 71.68 1mck s THR 76 CO 0.37 -0.05 0.71 0.54 -0.69 0.00 0.00 174.62 175.50 1mck s VAL 77 N 2.49 4.74 -0.33 3.82 0.11 -0.67 -0.18 120.40 130.37 1mck s VAL 77 Ca 0.07 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.18 1mck s VAL 77 Cb -0.14 -4.31 0.42 0.00 -1.53 0.00 0.00 36.38 30.82 1mck s VAL 77 CO -0.13 -0.76 1.48 -1.20 -3.33 0.00 0.00 175.10 171.15 1mck n SER 78 N 6.52 3.53 0.00 3.54 7.64 -0.47 -0.53 113.62 133.85 1mck n SER 78 Ca -0.02 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.00 1mck n SER 78 Cb 0.47 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1mck n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mck n GLY 79 N -0.28 -1.67 3.63 0.23 0.00 -1.26 -4.79 105.19 101.04 1mck n GLY 79 Ca 0.31 1.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.91 1mck n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mck s LEU 80 N 0.00 3.92 0.07 0.99 1.43 -1.17 -4.74 118.68 119.17 1mck s LEU 80 Ca 0.00 2.26 0.01 0.00 -1.03 0.00 0.00 54.13 55.37 1mck s LEU 80 Cb 0.00 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 1mck s LEU 80 CO 0.00 -1.52 0.15 -1.10 0.23 0.00 0.00 176.35 174.11 1mck s GLN 81 N 5.43 3.20 0.22 1.70 -1.52 -1.26 -0.80 119.66 126.63 1mck s GLN 81 Ca 0.94 -0.54 -0.12 0.00 -1.95 0.00 0.00 55.36 53.69 1mck s GLN 81 Cb -0.37 -2.91 0.28 0.00 -0.22 0.00 0.00 33.01 29.79 1mck s GLN 81 CO 0.38 0.59 1.62 0.00 -0.25 0.00 0.00 175.29 177.64 1mck h ALA 82 N 3.20 0.50 0.00 6.09 0.00 -1.98 0.17 119.26 127.23 1mck h ALA 82 Ca -0.46 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1mck h ALA 82 Cb 1.16 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1mck h ALA 82 CO 0.72 -0.42 0.00 -0.85 0.00 0.00 0.00 179.25 178.70 1mck n GLU 83 N -5.43 0.21 0.19 0.00 0.00 -1.26 -1.80 120.64 112.56 1mck n GLU 83 Ca 0.09 0.10 0.07 0.00 0.00 0.00 0.00 57.16 57.42 1mck n GLU 83 Cb 0.36 -1.50 0.29 0.00 0.00 0.00 0.00 31.44 30.59 1mck n GLU 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1mck h ASP 84 N 0.00 0.00 -1.49 -1.84 3.32 -1.07 -3.43 116.42 111.91 1mck h ASP 84 Ca 0.00 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.32 1mck h ASP 84 Cb 0.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.60 1mck h ASP 84 CO 0.00 0.32 0.95 -0.62 -1.72 0.00 0.00 179.24 178.17 1mck n GLU 85 N -3.34 1.14 -3.58 3.56 1.02 -0.74 -4.85 120.64 113.84 1mck n GLU 85 Ca 0.01 0.41 0.03 0.00 -0.02 0.00 0.00 57.16 57.59 1mck n GLU 85 Cb 0.54 -2.12 -0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1mck n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mck s ALA 86 N 3.89 -2.39 0.30 0.62 0.00 -1.10 -4.85 121.76 118.22 1mck s ALA 86 Ca 1.00 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 53.74 1mck s ALA 86 Cb -1.06 0.26 -0.07 0.00 0.00 0.00 0.00 23.12 22.25 1mck s ALA 86 CO 0.65 -1.04 0.64 -0.51 0.00 0.00 0.00 175.76 175.49 1mck s ASP 87 N -2.96 6.60 -0.08 0.00 1.01 0.61 -0.48 116.67 121.37 1mck s ASP 87 Ca 0.14 1.00 -0.01 0.00 0.71 0.00 0.00 52.55 54.40 1mck s ASP 87 Cb 0.06 -2.26 0.03 0.00 1.01 0.00 0.00 42.92 41.76 1mck s ASP 87 CO -0.05 -0.19 -0.03 -0.31 0.21 0.00 0.00 175.17 174.79 1mck s TYR 88 N -2.02 0.97 -0.10 4.23 1.51 0.13 -1.18 117.35 120.90 1mck s TYR 88 Ca 0.49 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 56.21 1mck s TYR 88 Cb -0.11 -0.94 0.00 0.00 -0.11 0.00 0.00 41.96 40.81 1mck s TYR 88 CO 0.24 -0.37 -0.23 0.71 -1.11 0.00 0.00 175.55 174.79 1mck s TYR 89 N 1.71 2.47 0.78 2.71 1.51 0.37 -0.24 117.35 126.65 1mck s TYR 89 Ca 0.02 -1.01 -0.06 0.00 -1.01 0.00 0.00 57.07 55.01 1mck s TYR 89 Cb -0.13 -1.66 0.13 0.00 -0.11 0.00 0.00 41.96 40.20 1mck s TYR 89 CO -0.05 -0.41 1.08 0.00 -1.11 0.00 0.00 175.55 175.06 1mck s SER 91 N -4.73 -0.49 -0.13 0.00 0.15 -0.22 -0.55 113.70 107.73 1mck s SER 91 Ca 0.67 0.25 -0.06 0.00 0.70 0.00 0.00 55.95 57.50 1mck s SER 91 Cb -0.06 0.51 0.06 0.00 -1.71 0.00 0.00 66.02 64.82 1mck s SER 91 CO 0.47 -0.73 0.30 -0.55 1.20 0.00 0.00 173.24 173.93 1mck s SER 92 N -1.93 -0.20 -0.86 5.45 0.15 0.72 -1.42 113.70 115.62 1mck s SER 92 Ca -0.06 0.66 -0.22 0.00 0.70 0.00 0.00 55.95 57.03 1mck s SER 92 Cb -0.01 0.62 0.08 0.00 -1.71 0.00 0.00 66.02 65.00 1mck s SER 92 CO -0.01 -0.19 1.19 -0.47 1.20 0.00 0.00 173.24 174.96 1mck s TYR 93 N 1.63 2.73 -1.11 3.44 6.14 -1.26 -0.30 117.35 128.61 1mck s TYR 93 Ca -0.07 -0.84 -0.08 0.00 0.64 0.00 0.00 57.07 56.73 1mck s TYR 93 Cb -0.10 -4.44 0.28 0.00 0.42 0.00 0.00 41.96 38.12 1mck s TYR 93 CO -0.10 -1.73 1.27 0.39 0.64 0.00 0.00 175.55 176.02 1mck n GLU 94 N 7.86 3.86 -1.80 4.97 1.02 0.21 -4.86 120.64 131.90 1mck n GLU 94 Ca 0.16 -4.46 -0.02 0.00 -0.02 0.00 0.00 57.16 52.83 1mck n GLU 94 Cb 0.49 -2.56 -0.01 0.00 -0.02 0.00 0.00 31.44 29.33 1mck n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mck n GLY 95 N 2.27 -3.72 2.25 0.62 0.00 -1.26 -4.02 105.19 101.33 1mck n GLY 95 Ca 0.25 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1mck n GLY 95 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mck n SER 96 N 0.56 0.00 0.00 1.61 7.64 -1.26 -0.68 113.62 121.49 1mck n SER 96 Ca -0.12 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.84 1mck n SER 96 Cb 0.19 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 63.88 1mck n SER 96 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1mck n ASP 97 N 0.00 0.00 -3.74 6.43 9.92 -1.26 -4.69 116.55 123.21 1mck n ASP 97 Ca 0.00 -0.32 -0.30 0.00 -0.53 0.00 0.00 54.79 53.65 1mck n ASP 97 Cb 0.00 -0.11 -0.15 0.00 -0.64 0.00 0.00 41.12 40.22 1mck n ASP 97 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1mck s ASN 98 N -2.23 4.06 -0.13 -2.24 -0.87 0.15 -5.08 114.94 108.60 1mck s ASN 98 Ca 0.22 -1.66 -0.01 0.00 -1.57 0.00 0.00 52.86 49.85 1mck s ASN 98 Cb 0.12 -0.89 -0.02 0.00 -0.02 0.00 0.00 41.25 40.44 1mck s ASN 98 CO 0.23 -0.41 -0.11 -0.36 -2.57 0.00 0.00 177.10 173.87 1mck s PHE 99 N 1.59 2.85 -0.02 2.20 0.40 -1.26 0.65 117.98 124.39 1mck s PHE 99 Ca 0.10 -0.56 0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1mck s PHE 99 Cb -0.17 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.49 1mck s PHE 99 CO -0.25 -0.16 -0.18 0.14 0.70 0.00 0.00 175.22 175.48 1mck s VAL 100 N 0.30 1.41 0.15 -0.44 -7.23 0.59 -4.68 120.40 110.49 1mck s VAL 100 Ca -0.09 -0.75 0.08 0.00 -1.81 0.00 0.00 61.98 59.41 1mck s VAL 100 Cb -0.15 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 1mck s VAL 100 CO 0.05 0.40 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.79 1mck s PHE 101 N -0.29 2.70 1.15 2.82 0.40 -1.26 -0.20 117.98 123.29 1mck s PHE 101 Ca 0.04 -0.19 -0.19 0.00 -0.60 0.00 0.00 56.93 56.00 1mck s PHE 101 Cb -0.08 -1.36 0.27 0.00 0.51 0.00 0.00 43.02 42.36 1mck s PHE 101 CO 0.00 0.47 1.17 0.20 0.70 0.00 0.00 175.22 177.77 1mck s GLY 102 N -2.57 1.64 0.40 4.36 0.00 0.29 -4.53 107.32 106.90 1mck s GLY 102 Ca 0.24 -1.06 0.19 0.00 0.00 0.00 0.00 44.72 44.08 1mck s GLY 102 CO 0.15 -0.19 1.80 -0.91 0.00 0.00 0.00 173.10 173.95 1mck h THR 103 N -2.37 0.92 0.00 0.90 1.35 -1.46 -3.44 112.91 108.81 1mck h THR 103 Ca -0.44 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1mck h THR 103 Cb 1.27 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1mck h THR 103 CO 0.33 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1mck n GLY 104 N -0.05 2.87 3.17 5.82 0.00 -1.26 -4.98 105.19 110.76 1mck n GLY 104 Ca -0.01 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1mck n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mck s THR 105 N -0.73 1.74 -0.22 2.61 2.01 0.66 -4.46 115.64 117.26 1mck s THR 105 Ca 0.00 -0.85 -0.12 0.00 0.31 0.00 0.00 61.69 61.02 1mck s THR 105 Cb 0.00 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 1mck s THR 105 CO 0.00 0.49 0.24 -0.75 -0.69 0.00 0.00 174.62 173.91 1mck s LYS 106 N 0.29 4.13 -0.29 4.92 2.20 -1.14 0.23 119.74 130.08 1mck s LYS 106 Ca -0.13 -0.08 -0.12 0.00 -0.36 0.00 0.00 55.97 55.28 1mck s LYS 106 Cb -0.16 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1mck s LYS 106 CO 0.06 0.07 0.22 0.08 -0.36 0.00 0.00 175.35 175.42 1mck s VAL 107 N 1.01 5.29 -0.04 4.02 1.01 0.37 -0.66 120.40 131.40 1mck s VAL 107 Ca 0.12 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1mck s VAL 107 Cb -0.14 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1mck s VAL 107 CO 0.05 0.21 -0.09 -0.89 0.00 0.00 0.00 175.10 174.38 1mck s THR 108 N 1.80 3.52 -0.28 3.92 2.01 0.11 -2.72 115.64 124.00 1mck s THR 108 Ca 0.08 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.24 1mck s THR 108 Cb -0.16 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 1mck s THR 108 CO 0.11 0.52 0.51 -0.69 -0.69 0.00 0.00 174.62 174.38 1mck s VAL 109 N -0.86 5.05 -0.45 3.82 1.01 -1.25 -1.33 120.40 126.38 1mck s VAL 109 Ca 0.14 0.74 -0.34 0.00 0.00 0.00 0.00 61.98 62.51 1mck s VAL 109 Cb -0.11 -3.86 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 1mck s VAL 109 CO 0.03 0.01 2.27 0.18 0.00 0.00 0.00 175.10 177.59 1mck n LEU 110 N 5.60 1.81 -0.00 3.92 4.32 0.61 -4.83 117.00 128.43 1mck n LEU 110 Ca -0.04 0.30 0.06 0.00 -0.02 0.00 0.00 56.01 56.31 1mck n LEU 110 Cb 0.50 -1.23 -0.09 0.00 -1.62 0.00 0.00 43.42 40.98 1mck n LEU 110 CO 0.42 -0.83 -0.44 0.61 -1.22 0.00 0.00 177.39 175.93 1mck n GLY 111 N 6.57 -0.42 3.33 -0.72 0.00 -1.26 -4.87 105.19 107.82 1mck n GLY 111 Ca 0.45 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1mck n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mck s GLN 112 N -2.61 1.45 0.49 1.61 -0.21 -1.26 -5.14 119.66 113.99 1mck s GLN 112 Ca -0.01 -1.79 -0.23 0.00 0.02 0.00 0.00 55.36 53.34 1mck s GLN 112 Cb 0.08 -0.29 -0.06 0.00 1.00 0.00 0.00 33.01 33.74 1mck s GLN 112 CO 0.51 -0.31 1.26 -2.14 -2.12 0.00 0.00 175.29 172.49 1mck s PRO 113 N -4.00 3.53 0.42 2.91 0.02 -1.26 -5.00 135.00 131.62 1mck s PRO 113 Ca 0.37 2.01 -0.26 0.00 0.02 0.00 0.00 61.00 63.14 1mck s PRO 113 Cb 0.08 -2.39 -0.09 0.00 0.02 0.00 0.00 34.50 32.12 1mck s PRO 113 CO 0.14 -0.80 1.37 0.15 -0.33 0.00 0.00 177.00 177.53 1mck s LYS 114 N -2.73 3.89 -0.27 5.54 -0.14 -1.26 -4.81 119.74 119.96 1mck s LYS 114 Ca 0.66 2.31 -0.00 0.00 -1.36 0.00 0.00 55.97 57.58 1mck s LYS 114 Cb -0.34 -2.76 0.14 0.00 -1.68 0.00 0.00 37.83 33.19 1mck s LYS 114 CO 0.42 -0.61 0.37 0.00 -0.76 0.00 0.00 175.35 174.77 1mck s ALA 115 N -1.21 -1.01 0.56 5.17 0.00 -0.39 -4.93 121.76 119.95 1mck s ALA 115 Ca 0.58 0.36 -0.20 0.00 0.00 0.00 0.00 51.96 52.69 1mck s ALA 115 Cb -0.41 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 1mck s ALA 115 CO 0.54 -1.57 1.20 -0.80 0.00 0.00 0.00 175.76 175.13 1mck s ASN 116 N 2.50 5.46 0.53 0.00 0.01 -1.26 -0.85 114.94 121.32 1mck s ASN 116 Ca 0.11 2.37 -0.20 0.00 -0.71 0.00 0.00 52.86 54.42 1mck s ASN 116 Cb -0.14 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 38.86 1mck s ASN 116 CO -0.25 -1.41 1.15 -2.16 -1.51 0.00 0.00 177.10 172.92 1mck s PRO 117 N -3.18 3.42 -0.53 -0.60 0.05 -1.26 -4.57 135.00 128.32 1mck s PRO 117 Ca 0.74 1.70 -0.14 0.00 0.05 0.00 0.00 61.00 63.35 1mck s PRO 117 Cb -0.30 -2.11 0.13 0.00 0.05 0.00 0.00 34.50 32.27 1mck s PRO 117 CO 0.33 -0.82 0.47 0.99 0.05 0.00 0.00 177.00 178.02 1mck s THR 118 N -1.68 4.93 -0.11 1.26 2.01 -0.40 -4.89 115.64 116.76 1mck s THR 118 Ca 0.71 -1.63 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 1mck s THR 118 Cb -0.26 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.05 1mck s THR 118 CO 0.30 -0.85 1.11 -0.69 -0.69 0.00 0.00 174.62 173.80 1mck s VAL 119 N 1.47 4.53 -0.07 3.82 1.01 -1.26 -2.43 120.40 127.47 1mck s VAL 119 Ca 0.04 1.83 -0.01 0.00 0.00 0.00 0.00 61.98 63.84 1mck s VAL 119 Cb -0.28 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 31.95 1mck s VAL 119 CO 0.01 -0.04 -0.02 -0.89 0.00 0.00 0.00 175.10 174.17 1mck s THR 120 N 2.41 0.47 -0.18 3.92 2.01 0.04 -4.95 115.64 119.35 1mck s THR 120 Ca 0.51 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.49 1mck s THR 120 Cb -0.20 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1mck s THR 120 CO 0.17 0.26 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.12 1mck s LEU 121 N 1.66 3.19 -0.14 4.42 0.20 -1.26 -0.24 118.68 126.51 1mck s LEU 121 Ca 0.01 -0.20 -0.04 0.00 0.69 0.00 0.00 54.13 54.58 1mck s LEU 121 Cb -0.13 -1.79 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 1mck s LEU 121 CO -0.04 0.10 0.01 -0.36 -0.29 0.00 0.00 176.35 175.77 1mck s PHE 122 N 0.80 3.16 0.13 5.38 0.40 -0.15 -4.99 117.98 122.71 1mck s PHE 122 Ca -0.01 0.01 -0.07 0.00 -0.60 0.00 0.00 56.93 56.26 1mck s PHE 122 Cb -0.14 -1.94 -0.06 0.00 0.51 0.00 0.00 43.02 41.39 1mck s PHE 122 CO 0.02 0.22 0.40 -1.25 0.70 0.00 0.00 175.22 175.31 1mck s PRO 123 N -0.09 3.68 -0.17 0.24 0.05 -1.26 -2.05 135.00 135.40 1mck s PRO 123 Ca 0.04 0.04 -0.40 0.00 0.05 0.00 0.00 61.00 60.73 1mck s PRO 123 Cb -0.13 -2.88 -0.19 0.00 0.05 0.00 0.00 34.50 31.36 1mck s PRO 123 CO 0.02 0.48 1.20 -2.30 0.05 0.00 0.00 177.00 176.45 1mck n PRO 124 N 0.34 0.00 -1.73 0.56 -0.02 -1.16 -4.81 135.00 128.18 1mck n PRO 124 Ca -0.04 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.05 1mck n PRO 124 Cb 0.52 -1.43 0.03 0.00 -0.02 0.00 0.00 33.50 32.60 1mck n PRO 124 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1mck n SER 125 N 2.27 2.72 -0.03 2.55 3.41 -1.26 -4.89 113.62 118.39 1mck n SER 125 Ca 0.23 1.03 -0.08 0.00 -0.26 0.00 0.00 58.87 59.79 1mck n SER 125 Cb 0.03 -1.56 -0.05 0.00 -0.26 0.00 0.00 64.21 62.37 1mck n SER 125 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1mck h SER 126 N 1.73 -0.95 -0.78 4.04 4.64 -1.97 -1.40 113.55 118.86 1mck h SER 126 Ca -0.50 0.12 0.16 0.00 -0.47 0.00 0.00 61.79 61.10 1mck h SER 126 Cb 1.30 0.38 -0.11 0.00 -0.31 0.00 0.00 62.40 63.66 1mck h SER 126 CO 0.58 -0.24 0.29 -0.08 -0.87 0.00 0.00 176.83 176.51 1mck h GLU 127 N -0.28 0.38 -0.81 4.77 4.57 -1.99 0.18 114.58 121.41 1mck h GLU 127 Ca 0.02 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1mck h GLU 127 Cb 0.35 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 1mck h GLU 127 CO -0.26 0.25 0.53 1.49 -1.18 0.00 0.00 179.01 179.84 1mck h GLU 128 N 0.39 0.94 0.00 1.92 4.81 -1.67 1.73 114.58 122.70 1mck h GLU 128 Ca 0.45 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.51 1mck h GLU 128 Cb 0.74 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1mck h GLU 128 CO -0.46 0.62 -0.52 -0.07 -0.73 0.00 0.00 179.01 177.85 1mck h LEU 129 N 0.97 0.00 -2.28 1.64 3.38 0.35 -0.53 115.31 118.83 1mck h LEU 129 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1mck h LEU 129 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1mck h LEU 129 CO -0.10 0.52 -0.05 1.56 0.09 0.00 0.00 178.44 180.46 1mck h GLN 130 N 0.00 0.00 -0.40 1.13 4.20 0.38 0.12 115.11 120.54 1mck h GLN 130 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1mck h GLN 130 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1mck h GLN 130 CO 0.07 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 178.28 1mck n ALA 131 N -2.27 2.42 -2.00 3.87 0.00 -0.45 -4.96 120.51 117.11 1mck n ALA 131 Ca -0.02 -1.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.33 1mck n ALA 131 Cb 0.15 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 1mck n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1mck n ASN 132 N 1.51 -2.95 -4.58 0.00 2.85 0.41 -5.03 115.26 107.47 1mck n ASN 132 Ca 0.20 0.02 -0.31 0.00 -0.11 0.00 0.00 54.58 54.38 1mck n ASN 132 Cb 0.61 -2.09 -0.10 0.00 1.24 0.00 0.00 39.78 39.44 1mck n ASN 132 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1mck s LYS 133 N -4.11 2.33 -0.12 1.20 1.02 -0.30 -4.61 119.74 115.15 1mck s LYS 133 Ca 0.00 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.10 1mck s LYS 133 Cb 0.00 -2.39 0.03 0.00 -0.52 0.00 0.00 37.83 34.95 1mck s LYS 133 CO 0.00 0.55 -0.03 0.00 -0.92 0.00 0.00 175.35 174.95 1mck s ALA 134 N -1.11 1.12 -0.02 5.17 0.00 -0.91 -3.46 121.76 122.54 1mck s ALA 134 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1mck s ALA 134 Cb -0.11 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.10 1mck s ALA 134 CO 0.11 -0.60 0.00 0.99 0.00 0.00 0.00 175.76 176.26 1mck s THR 135 N 1.80 0.13 0.16 0.00 2.01 -1.26 0.46 115.64 118.94 1mck s THR 135 Ca 0.03 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1mck s THR 135 Cb -0.14 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1mck s THR 135 CO -0.07 0.12 0.02 -0.76 -0.69 0.00 0.00 174.62 173.24 1mck s LEU 136 N 0.83 3.41 -0.14 4.42 1.02 -0.45 -2.96 118.68 124.82 1mck s LEU 136 Ca -0.08 -0.32 -0.03 0.00 0.02 0.00 0.00 54.13 53.72 1mck s LEU 136 Cb -0.11 -2.07 0.05 0.00 0.02 0.00 0.00 46.19 44.07 1mck s LEU 136 CO -0.02 0.10 0.06 0.54 0.02 0.00 0.00 176.35 177.05 1mck s VAL 137 N -1.66 0.15 -0.19 -1.59 0.11 -0.87 -0.76 120.40 115.59 1mck s VAL 137 Ca 0.28 -0.12 -0.28 0.00 -2.93 0.00 0.00 61.98 58.92 1mck s VAL 137 Cb -0.10 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1mck s VAL 137 CO 0.19 -0.10 0.97 0.00 -3.33 0.00 0.00 175.10 172.83 1mck s LEU 139 N 2.69 3.71 -0.16 0.00 0.20 0.66 -0.90 118.68 124.89 1mck s LEU 139 Ca 0.43 0.19 -0.02 0.00 0.69 0.00 0.00 54.13 55.42 1mck s LEU 139 Cb -0.16 -1.86 0.05 0.00 -0.43 0.00 0.00 46.19 43.78 1mck s LEU 139 CO 0.10 0.37 -0.00 -0.63 -0.29 0.00 0.00 176.35 175.90 1mck s ILE 140 N -0.84 0.71 0.31 6.68 1.01 0.00 -0.78 121.20 128.30 1mck s ILE 140 Ca 0.13 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.37 1mck s ILE 140 Cb -0.12 -1.03 -0.06 0.00 0.01 0.00 0.00 42.46 41.26 1mck s ILE 140 CO 0.02 -0.00 -0.01 -0.94 0.00 0.00 0.00 174.94 174.01 1mck s SER 141 N 1.80 2.78 -1.50 3.58 1.04 -1.02 -0.70 113.70 119.67 1mck s SER 141 Ca 0.01 -1.28 -0.06 0.00 0.48 0.00 0.00 55.95 55.09 1mck s SER 141 Cb -0.16 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.80 1mck s SER 141 CO -0.07 -0.45 0.80 0.47 0.98 0.00 0.00 173.24 174.97 1mck n ASP 142 N -0.67 -6.26 -4.87 7.02 9.92 -0.03 -1.28 116.55 120.37 1mck n ASP 142 Ca -0.04 -0.37 -0.29 0.00 -0.53 0.00 0.00 54.79 53.56 1mck n ASP 142 Cb 0.65 -5.01 -0.05 0.00 -0.64 0.00 0.00 41.12 36.07 1mck n ASP 142 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1mck s PHE 143 N -3.23 3.37 -0.16 1.24 -0.71 -1.11 -4.51 117.98 112.86 1mck s PHE 143 Ca 0.40 0.12 -0.10 0.00 -1.04 0.00 0.00 56.93 56.31 1mck s PHE 143 Cb -0.18 -1.66 0.05 0.00 -1.21 0.00 0.00 43.02 40.03 1mck s PHE 143 CO 0.49 0.54 0.41 -0.47 -1.34 0.00 0.00 175.22 174.85 1mck s TYR 144 N -1.60 -0.56 0.65 3.49 5.04 -0.03 -0.94 117.35 123.39 1mck s TYR 144 Ca 0.33 1.23 -0.13 0.00 -2.44 0.00 0.00 57.07 56.06 1mck s TYR 144 Cb -0.12 0.23 -0.01 0.00 0.35 0.00 0.00 41.96 42.41 1mck s TYR 144 CO 0.26 -0.31 1.06 -1.25 -1.34 0.00 0.00 175.55 173.97 1mck s PRO 145 N 1.11 3.13 -1.26 4.97 0.04 -1.26 -1.26 135.00 140.47 1mck s PRO 145 Ca -0.07 1.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.88 1mck s PRO 145 Cb -0.07 -2.01 0.13 0.00 0.04 0.00 0.00 34.50 32.59 1mck s PRO 145 CO -0.09 -0.95 1.63 0.41 0.04 0.00 0.00 177.00 178.04 1mck n GLY 146 N -1.58 3.36 3.15 0.56 0.00 -1.26 -4.78 105.19 104.64 1mck n GLY 146 Ca 0.08 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.31 1mck n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mck s ALA 147 N 2.33 -2.77 0.00 4.61 0.00 -1.26 -4.76 121.76 119.91 1mck s ALA 147 Ca 0.46 1.58 0.01 0.00 0.00 0.00 0.00 51.96 54.01 1mck s ALA 147 Cb 0.02 -2.37 -0.00 0.00 0.00 0.00 0.00 23.12 20.76 1mck s ALA 147 CO 0.02 -1.49 -0.03 0.54 0.00 0.00 0.00 175.76 174.80 1mck s VAL 148 N 2.89 0.22 0.27 0.00 0.11 -1.26 -3.72 120.40 118.91 1mck s VAL 148 Ca 0.13 -0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1mck s VAL 148 Cb -0.12 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 1mck s VAL 148 CO -0.19 0.01 0.52 -0.89 -3.33 0.00 0.00 175.10 171.22 1mck s THR 149 N -0.20 5.06 -0.02 5.04 2.01 0.00 -4.95 115.64 122.58 1mck s THR 149 Ca -0.00 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1mck s THR 149 Cb -0.02 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1mck s THR 149 CO -0.00 -0.27 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.89 1mck s VAL 150 N -2.02 0.67 0.00 3.82 1.01 -1.26 -1.39 120.40 121.25 1mck s VAL 150 Ca 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1mck s VAL 150 Cb -0.11 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.67 1mck s VAL 150 CO 0.29 0.21 -0.01 0.00 0.00 0.00 0.00 175.10 175.59 1mck s ALA 151 N 0.06 0.08 0.17 5.51 0.00 0.93 -4.99 121.76 123.52 1mck s ALA 151 Ca -0.01 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 51.90 1mck s ALA 151 Cb -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1mck s ALA 151 CO 0.00 -0.02 -0.08 -1.58 0.00 0.00 0.00 175.76 174.09 1mck s TRP 152 N -0.29 2.69 -0.02 0.00 0.52 -1.26 -0.51 118.94 120.07 1mck s TRP 152 Ca -0.03 -0.20 0.02 0.00 0.02 0.00 0.00 56.10 55.91 1mck s TRP 152 Cb -0.02 -1.33 0.00 0.00 -1.15 0.00 0.00 33.47 30.98 1mck s TRP 152 CO -0.00 0.50 -0.05 0.15 0.02 0.00 0.00 176.95 177.57 1mck s LYS 153 N -2.76 0.53 0.01 4.98 3.01 -0.16 -0.58 119.74 124.77 1mck s LYS 153 Ca 0.25 -0.16 0.22 0.00 -1.01 0.00 0.00 55.97 55.27 1mck s LYS 153 Cb -0.09 -0.54 -0.22 0.00 -1.01 0.00 0.00 37.83 35.97 1mck s LYS 153 CO 0.16 0.06 0.73 0.00 0.51 0.00 0.00 175.35 176.80 1mck n ALA 154 N 3.29 3.44 -2.57 5.17 0.00 0.72 -0.52 120.51 130.03 1mck n ALA 154 Ca -0.17 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.75 1mck n ALA 154 Cb 0.56 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1mck n ALA 154 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mck n ASP 155 N -2.02 -0.55 0.00 0.00 8.00 -1.25 -4.35 116.55 116.37 1mck n ASP 155 Ca -0.00 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.16 1mck n ASP 155 Cb 0.48 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 1mck n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mck n GLY 156 N -0.32 0.71 3.06 0.44 0.00 -1.26 -5.05 105.19 102.76 1mck n GLY 156 Ca -0.13 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 1mck n GLY 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mck s SER 157 N -2.44 3.93 -0.41 1.61 1.04 -1.26 -5.03 113.70 111.14 1mck s SER 157 Ca 0.00 -1.13 -0.38 0.00 0.48 0.00 0.00 55.95 54.92 1mck s SER 157 Cb 0.00 -1.46 -0.16 0.00 0.10 0.00 0.00 66.02 64.50 1mck s SER 157 CO 0.00 -0.14 1.45 -0.81 0.98 0.00 0.00 173.24 174.71 1mck n PRO 158 N 4.53 0.00 -3.09 4.02 -0.04 -1.23 -0.20 135.00 139.00 1mck n PRO 158 Ca -0.16 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.87 1mck n PRO 158 Cb 0.45 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.61 1mck n PRO 158 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mck s VAL 159 N 3.17 4.76 -1.91 0.52 0.11 0.25 -4.80 120.40 122.50 1mck s VAL 159 Ca 0.90 -0.50 0.28 0.00 -2.93 0.00 0.00 61.98 59.74 1mck s VAL 159 Cb -1.24 -4.40 0.49 0.00 -1.53 0.00 0.00 36.38 29.71 1mck s VAL 159 CO 0.64 -0.96 1.82 0.29 -3.33 0.00 0.00 175.10 173.55 1mck n LYS 160 N 6.48 0.99 -3.55 1.54 4.76 -1.26 -4.53 118.16 122.59 1mck n LYS 160 Ca -0.06 -0.43 -0.13 0.00 -2.87 0.00 0.00 58.31 54.82 1mck n LYS 160 Cb 0.45 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 32.03 1mck n LYS 160 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mck s ALA 161 N -2.31 -0.67 0.00 7.82 0.00 -1.26 -4.77 121.76 120.57 1mck s ALA 161 Ca 0.32 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1mck s ALA 161 Cb 0.20 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1mck s ALA 161 CO 0.44 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1mck n GLY 162 N 5.35 0.84 3.76 0.00 0.00 -1.26 -4.94 105.19 108.95 1mck n GLY 162 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1mck n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mck s VAL 163 N -2.00 4.10 -0.47 1.61 1.01 -1.26 -3.14 120.40 120.25 1mck s VAL 163 Ca 0.00 1.96 0.06 0.00 0.00 0.00 0.00 61.98 64.00 1mck s VAL 163 Cb 0.00 -4.19 0.18 0.00 0.00 0.00 0.00 36.38 32.37 1mck s VAL 163 CO 0.00 0.36 0.55 -0.62 0.00 0.00 0.00 175.10 175.38 1mck n GLU 164 N 1.11 0.38 -1.88 2.72 -0.58 -0.58 -4.97 120.64 116.84 1mck n GLU 164 Ca -0.00 -2.58 -0.37 0.00 -0.42 0.00 0.00 57.16 53.79 1mck n GLU 164 Cb 0.48 -1.56 0.04 0.00 -0.57 0.00 0.00 31.44 29.84 1mck n GLU 164 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1mck s THR 165 N 0.45 2.32 0.00 2.62 2.01 -1.26 -1.87 115.64 119.90 1mck s THR 165 Ca 0.32 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1mck s THR 165 Cb 0.03 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1mck s THR 165 CO -0.13 -0.03 0.00 0.41 -0.69 0.00 0.00 174.62 174.18 1mck n THR 166 N -1.47 0.00 -4.25 -0.82 -1.04 -0.01 -4.93 114.28 101.76 1mck n THR 166 Ca 0.13 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.97 1mck n THR 166 Cb 0.48 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.85 1mck n THR 166 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1mck s LYS 167 N 3.71 0.63 0.23 -2.82 -0.14 -1.26 -4.89 119.74 115.20 1mck s LYS 167 Ca 0.00 -0.40 -0.29 0.00 -1.36 0.00 0.00 55.97 53.91 1mck s LYS 167 Cb 0.00 -0.58 -0.15 0.00 -1.68 0.00 0.00 37.83 35.42 1mck s LYS 167 CO 0.00 0.15 0.93 -2.30 -0.76 0.00 0.00 175.35 173.37 1mck n PRO 168 N 2.55 0.95 -4.24 -1.68 -0.02 -1.26 -4.75 135.00 126.53 1mck n PRO 168 Ca -0.15 0.33 -0.20 0.00 -2.02 0.00 0.00 63.50 61.46 1mck n PRO 168 Cb 0.57 -1.65 -0.12 0.00 -0.02 0.00 0.00 33.50 32.28 1mck n PRO 168 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1mck s SER 169 N -0.53 2.11 -0.00 2.55 0.01 -0.25 -4.89 113.70 112.70 1mck s SER 169 Ca 0.64 -0.75 -0.30 0.00 1.31 0.00 0.00 55.95 56.85 1mck s SER 169 Cb -0.81 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 1mck s SER 169 CO 0.57 -0.07 1.14 -0.75 0.41 0.00 0.00 173.24 174.53 1mck s LYS 170 N -2.32 4.43 0.27 12.44 2.47 -1.26 -1.36 119.74 134.41 1mck s LYS 170 Ca 0.07 1.63 -0.00 0.00 -1.56 0.00 0.00 55.97 56.11 1mck s LYS 170 Cb -0.07 -3.46 -0.04 0.00 -1.46 0.00 0.00 37.83 32.80 1mck s LYS 170 CO 0.04 -0.28 0.46 -0.65 0.16 0.00 0.00 175.35 175.08 1mck s GLN 171 N 1.51 3.51 0.32 4.03 -0.21 0.60 -4.95 119.66 124.48 1mck s GLN 171 Ca 0.55 -0.34 0.19 0.00 0.02 0.00 0.00 55.36 55.78 1mck s GLN 171 Cb -0.25 -2.76 1.02 0.00 1.00 0.00 0.00 33.01 32.02 1mck s GLN 171 CO 0.26 0.30 1.54 0.43 -2.12 0.00 0.00 175.29 175.69 1mck n SER 172 N -1.16 0.49 -0.64 5.90 7.64 -1.26 0.15 113.62 124.74 1mck n SER 172 Ca -0.05 0.69 0.09 0.00 1.01 0.00 0.00 58.87 60.61 1mck n SER 172 Cb 0.55 -0.72 0.28 0.00 -1.01 0.00 0.00 64.21 63.31 1mck n SER 172 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1mck n ASN 173 N -2.19 1.88 -0.19 6.43 6.94 -1.26 -4.89 115.26 121.98 1mck n ASN 173 Ca -0.01 -1.84 -0.03 0.00 -0.02 0.00 0.00 54.58 52.68 1mck n ASN 173 Cb 0.13 -0.17 -0.01 0.00 -2.36 0.00 0.00 39.78 37.37 1mck n ASN 173 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1mck n ASN 174 N 0.48 -4.15 -4.78 0.53 5.03 0.38 -5.00 115.26 107.76 1mck n ASN 174 Ca 0.15 0.06 -0.22 0.00 0.87 0.00 0.00 54.58 55.44 1mck n ASN 174 Cb 0.34 -1.87 -0.05 0.00 -1.02 0.00 0.00 39.78 37.18 1mck n ASN 174 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1mck s LYS 175 N -1.38 2.72 0.68 3.52 1.02 -1.24 -4.84 119.74 120.23 1mck s LYS 175 Ca 0.00 -1.20 -0.04 0.00 0.02 0.00 0.00 55.97 54.74 1mck s LYS 175 Cb 0.00 -2.43 0.07 0.00 -0.52 0.00 0.00 37.83 34.94 1mck s LYS 175 CO 0.00 0.33 0.96 0.71 -0.92 0.00 0.00 175.35 176.44 1mck s TYR 176 N -2.22 2.71 -0.28 3.18 2.02 -0.12 -0.29 117.35 122.36 1mck s TYR 176 Ca 0.34 0.25 -0.19 0.00 -0.37 0.00 0.00 57.07 57.09 1mck s TYR 176 Cb -0.07 -3.11 0.09 0.00 -0.40 0.00 0.00 41.96 38.47 1mck s TYR 176 CO 0.24 -1.36 0.75 0.00 -1.57 0.00 0.00 175.55 173.61 1mck s ALA 177 N -3.14 -1.90 0.34 3.71 0.00 -0.47 -0.85 121.76 119.45 1mck s ALA 177 Ca 0.61 2.25 0.05 0.00 0.00 0.00 0.00 51.96 54.86 1mck s ALA 177 Cb -0.10 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1mck s ALA 177 CO 0.43 -0.35 0.21 0.00 0.00 0.00 0.00 175.76 176.05 1mck s ALA 178 N 1.13 2.11 -0.28 0.00 0.00 0.13 -1.09 121.76 123.76 1mck s ALA 178 Ca -0.06 -1.76 -0.24 0.00 0.00 0.00 0.00 51.96 49.90 1mck s ALA 178 Cb -0.05 1.22 0.10 0.00 0.00 0.00 0.00 23.12 24.39 1mck s ALA 178 CO -0.12 -0.54 0.86 -1.54 0.00 0.00 0.00 175.76 174.42 1mck s SER 179 N -3.42 -0.63 -0.13 0.00 1.04 -1.26 -0.82 113.70 108.48 1mck s SER 179 Ca 0.35 1.18 0.01 0.00 0.48 0.00 0.00 55.95 57.97 1mck s SER 179 Cb 0.03 1.20 -0.00 0.00 0.10 0.00 0.00 66.02 67.35 1mck s SER 179 CO 0.21 -0.20 -0.17 -0.44 0.98 0.00 0.00 173.24 173.62 1mck s SER 180 N 0.47 3.62 0.43 7.02 0.01 -0.08 -0.83 113.70 124.35 1mck s SER 180 Ca 0.00 -0.45 0.08 0.00 1.31 0.00 0.00 55.95 56.89 1mck s SER 180 Cb -0.05 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1mck s SER 180 CO -0.05 0.13 0.49 -0.72 0.41 0.00 0.00 173.24 173.50 1mck s TYR 181 N 0.57 2.66 -0.23 2.43 -0.85 -0.78 -0.25 117.35 120.90 1mck s TYR 181 Ca -0.10 -0.47 -0.03 0.00 -0.52 0.00 0.00 57.07 55.95 1mck s TYR 181 Cb -0.16 -2.27 0.12 0.00 0.38 0.00 0.00 41.96 40.04 1mck s TYR 181 CO 0.04 -0.32 0.34 -1.17 -1.52 0.00 0.00 175.55 172.92 1mck s LEU 182 N -4.27 -0.52 -0.09 -3.49 2.96 0.06 -1.53 118.68 111.80 1mck s LEU 182 Ca 0.52 0.17 -0.19 0.00 -0.22 0.00 0.00 54.13 54.41 1mck s LEU 182 Cb -0.06 0.97 -0.04 0.00 0.50 0.00 0.00 46.19 47.55 1mck s LEU 182 CO 0.31 -0.30 0.52 -0.44 -1.32 0.00 0.00 176.35 175.11 1mck s SER 183 N 2.50 6.77 0.12 3.68 0.01 -1.19 -1.34 113.70 124.25 1mck s SER 183 Ca 0.11 0.92 -0.05 0.00 1.31 0.00 0.00 55.95 58.24 1mck s SER 183 Cb -0.15 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 1mck s SER 183 CO -0.15 0.02 0.13 -0.22 0.41 0.00 0.00 173.24 173.43 1mck s LEU 184 N 0.43 1.61 -0.15 2.44 2.96 0.17 -4.79 118.68 121.35 1mck s LEU 184 Ca 0.28 -0.96 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 1mck s LEU 184 Cb -0.16 0.68 -0.04 0.00 0.50 0.00 0.00 46.19 47.17 1mck s LEU 184 CO 0.12 -0.75 0.14 0.42 -1.32 0.00 0.00 176.35 174.96 1mck s THR 185 N -3.96 5.47 0.30 3.68 -4.23 -1.26 -2.15 115.64 113.48 1mck s THR 185 Ca 0.15 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1mck s THR 185 Cb 0.06 -3.43 0.43 0.00 1.34 0.00 0.00 72.50 70.90 1mck s THR 185 CO -0.04 0.55 1.55 -2.65 -0.54 0.00 0.00 174.62 173.50 1mck n PRO 186 N 2.58 -0.08 -0.21 3.99 -0.02 -1.26 -0.55 135.00 139.44 1mck n PRO 186 Ca -0.18 1.51 -0.07 0.00 -2.02 0.00 0.00 63.50 62.73 1mck n PRO 186 Cb 0.54 -2.35 0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1mck n PRO 186 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1mck h GLU 187 N 0.00 0.88 0.00 -0.52 -0.00 -1.97 0.07 114.58 113.04 1mck h GLU 187 Ca 0.56 -0.14 -0.06 0.00 -0.00 0.00 0.00 59.36 59.72 1mck h GLU 187 Cb 1.06 -0.15 -0.01 0.00 -0.00 0.00 0.00 28.75 29.65 1mck h GLU 187 CO -0.97 0.73 -0.27 1.96 -0.00 0.00 0.00 179.01 180.46 1mck h GLN 188 N 0.82 0.00 0.49 1.06 4.20 -1.21 0.23 115.11 120.70 1mck h GLN 188 Ca 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1mck h GLN 188 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1mck h GLN 188 CO -0.02 0.27 -0.23 2.35 -0.67 0.00 0.00 178.83 180.52 1mck h TRP 189 N 0.00 -0.60 -0.47 2.96 -0.00 0.21 -3.13 115.95 114.91 1mck h TRP 189 Ca -0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 58.89 58.93 1mck h TRP 189 Cb 0.49 0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 29.80 1mck h TRP 189 CO 0.00 -0.31 0.18 1.57 -0.00 0.00 0.00 178.44 179.88 1mck h LYS 190 N -1.10 0.36 0.00 2.65 5.09 -0.98 -2.79 116.57 119.79 1mck h LYS 190 Ca -0.07 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.65 1mck h LYS 190 Cb 0.56 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 32.81 1mck h LYS 190 CO 0.11 0.24 0.00 -1.13 -2.09 0.00 0.00 179.45 176.58 1mck n SER 191 N -4.98 0.00 -4.39 7.07 3.41 0.82 -4.43 113.62 111.12 1mck n SER 191 Ca 0.04 -0.14 -0.31 0.00 -0.26 0.00 0.00 58.87 58.21 1mck n SER 191 Cb 0.17 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.98 1mck n SER 191 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1mck s HIS 192 N -2.00 2.43 0.06 7.33 3.76 -1.06 -4.99 115.29 120.81 1mck s HIS 192 Ca 0.05 -0.35 -0.15 0.00 -0.15 0.00 0.00 55.06 54.46 1mck s HIS 192 Cb 0.02 -1.44 -0.25 0.00 1.11 0.00 0.00 32.58 32.02 1mck s HIS 192 CO 0.04 0.16 1.14 0.07 -0.85 0.00 0.00 174.74 175.30 1mck h ARG 193 N 4.78 0.64 -4.16 1.40 0.11 -1.80 -3.42 114.38 111.93 1mck h ARG 193 Ca -0.47 -0.74 -0.15 0.00 0.10 0.00 0.00 59.98 58.73 1mck h ARG 193 Cb 1.15 0.22 -0.14 0.00 1.11 0.00 0.00 29.97 32.31 1mck h ARG 193 CO 0.46 1.32 -0.48 -1.54 0.10 0.00 0.00 179.97 179.82 1mck s SER 194 N -7.26 0.17 -0.05 0.08 1.04 -1.26 -4.14 113.70 102.27 1mck s SER 194 Ca -0.10 -1.05 -0.02 0.00 0.48 0.00 0.00 55.95 55.26 1mck s SER 194 Cb 0.06 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.59 1mck s SER 194 CO 0.91 -0.82 0.10 -0.31 0.98 0.00 0.00 173.24 174.10 1mck s TYR 195 N -4.02 -0.06 0.29 5.02 2.02 0.19 -3.91 117.35 116.88 1mck s TYR 195 Ca 0.22 0.37 0.11 0.00 -0.37 0.00 0.00 57.07 57.40 1mck s TYR 195 Cb 0.05 -0.27 -0.05 0.00 -0.40 0.00 0.00 41.96 41.29 1mck s TYR 195 CO 0.02 -0.18 -0.14 -1.54 -1.57 0.00 0.00 175.55 172.14 1mck s SER 196 N 1.70 3.80 -0.21 2.29 1.04 0.32 0.25 113.70 122.90 1mck s SER 196 Ca -0.02 -0.99 -0.02 0.00 0.48 0.00 0.00 55.95 55.40 1mck s SER 196 Cb -0.12 -0.41 0.06 0.00 0.10 0.00 0.00 66.02 65.65 1mck s SER 196 CO -0.04 -0.02 0.00 0.00 0.98 0.00 0.00 173.24 174.16 1mck s GLN 198 N 1.69 3.42 -0.28 0.00 0.74 0.33 -1.07 119.66 124.48 1mck s GLN 198 Ca -0.03 -0.62 0.03 0.00 0.05 0.00 0.00 55.36 54.78 1mck s GLN 198 Cb -0.18 -2.91 0.07 0.00 1.10 0.00 0.00 33.01 31.10 1mck s GLN 198 CO -0.07 -0.05 -0.04 0.08 -0.55 0.00 0.00 175.29 174.66 1mck s VAL 199 N 1.08 2.01 0.14 1.34 1.01 0.19 -0.05 120.40 126.12 1mck s VAL 199 Ca 0.01 -1.76 -0.28 0.00 0.00 0.00 0.00 61.98 59.95 1mck s VAL 199 Cb -0.15 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 1mck s VAL 199 CO -0.01 -0.25 0.88 -0.89 0.00 0.00 0.00 175.10 174.84 1mck s THR 200 N 1.13 4.42 -0.29 3.92 2.01 -0.48 -1.85 115.64 124.49 1mck s THR 200 Ca -0.01 1.92 0.03 0.00 0.31 0.00 0.00 61.69 63.94 1mck s THR 200 Cb -0.19 -4.25 0.20 0.00 0.01 0.00 0.00 72.50 68.26 1mck s THR 200 CO -0.07 0.41 0.67 -2.28 -0.69 0.00 0.00 174.62 172.66 1mck s HIS 201 N -0.51 -1.63 -1.31 4.92 2.46 0.43 -0.82 115.29 118.83 1mck s HIS 201 Ca 0.42 0.93 -0.00 0.00 0.47 0.00 0.00 55.06 56.88 1mck s HIS 201 Cb -0.23 0.28 -0.00 0.00 -0.13 0.00 0.00 32.58 32.50 1mck s HIS 201 CO 0.28 -0.95 0.69 0.39 -2.47 0.00 0.00 174.74 172.68 1mck n GLU 202 N 5.34 -4.77 0.00 2.88 1.02 -1.26 -1.85 120.64 122.00 1mck n GLU 202 Ca 0.06 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1mck n GLU 202 Cb 0.55 -5.14 0.00 0.00 -0.02 0.00 0.00 31.44 26.83 1mck n GLU 202 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mck n GLY 203 N -1.59 3.08 3.76 0.62 0.00 -1.26 -5.01 105.19 104.79 1mck n GLY 203 Ca -0.30 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 1mck n GLY 203 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mck s SER 204 N 0.00 7.41 -0.05 1.61 0.15 -0.77 -5.05 113.70 117.00 1mck s SER 204 Ca 0.00 2.00 0.01 0.00 0.70 0.00 0.00 55.95 58.66 1mck s SER 204 Cb 0.00 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1mck s SER 204 CO 0.00 -0.02 -0.05 -0.89 1.20 0.00 0.00 173.24 173.48 1mck s THR 205 N -1.32 0.59 -0.11 6.45 2.01 -1.26 -0.43 115.64 121.56 1mck s THR 205 Ca 0.45 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.32 1mck s THR 205 Cb -0.25 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 1mck s THR 205 CO 0.32 0.24 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.62 1mck s VAL 206 N 0.89 2.68 -0.10 3.82 1.01 -0.77 -4.96 120.40 122.97 1mck s VAL 206 Ca -0.11 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1mck s VAL 206 Cb -0.14 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1mck s VAL 206 CO 0.00 0.54 -0.13 -0.70 0.00 0.00 0.00 175.10 174.82 1mck s GLU 207 N 0.20 1.94 -0.16 2.72 2.12 -1.26 0.57 118.70 124.84 1mck s GLU 207 Ca -0.11 -0.45 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 1mck s GLU 207 Cb -0.16 -1.73 -0.02 0.00 0.26 0.00 0.00 34.13 32.48 1mck s GLU 207 CO 0.06 -0.11 -0.08 0.15 -0.54 0.00 0.00 175.26 174.74 1mck s LYS 208 N 1.14 3.48 -0.12 4.30 -0.14 -0.23 -4.93 119.74 123.24 1mck s LYS 208 Ca -0.04 -0.61 -0.04 0.00 -1.36 0.00 0.00 55.97 53.91 1mck s LYS 208 Cb -0.14 -2.82 -0.04 0.00 -1.68 0.00 0.00 37.83 33.15 1mck s LYS 208 CO -0.03 0.12 0.05 0.99 -0.76 0.00 0.00 175.35 175.72 1mck s THR 209 N 0.64 4.73 0.07 2.17 2.01 -1.26 -0.77 115.64 123.22 1mck s THR 209 Ca -0.05 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.91 1mck s THR 209 Cb -0.15 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1mck s THR 209 CO 0.03 0.58 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.74 1mck s VAL 210 N -0.62 0.80 0.05 3.82 1.01 0.14 -4.97 120.40 120.63 1mck s VAL 210 Ca 0.11 -1.41 -0.06 0.00 0.00 0.00 0.00 61.98 60.62 1mck s VAL 210 Cb -0.12 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1mck s VAL 210 CO 0.02 -0.47 0.11 0.00 0.00 0.00 0.00 175.10 174.77 1mck s ALA 211 N -1.98 -0.07 0.15 5.51 0.00 -1.26 0.55 121.76 124.65 1mck s ALA 211 Ca -0.01 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 1mck s ALA 211 Cb -0.06 0.30 -0.09 0.00 0.00 0.00 0.00 23.12 23.27 1mck s ALA 211 CO 0.00 -0.36 1.53 -2.14 0.00 0.00 0.00 175.76 174.78 1mck s PRO 212 N -2.97 4.24 0.30 0.00 0.02 -1.26 -5.02 135.00 130.32 1mck s PRO 212 Ca -0.02 2.29 -0.05 0.00 0.02 0.00 0.00 61.00 63.24 1mck s PRO 212 Cb 0.01 -3.19 -0.00 0.00 0.02 0.00 0.00 34.50 31.33 1mck s PRO 212 CO -0.06 -0.57 0.43 0.95 -0.33 0.00 0.00 177.00 177.42 1mck s THR 213 N 1.18 0.00 0.00 0.99 -4.23 -1.26 -5.09 115.64 107.23 1mck s THR 213 Ca 0.69 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1mck s THR 213 Cb -0.42 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1mck s THR 213 CO 0.31 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.77 1mck n GLU 214 N -0.49 0.00 0.00 3.99 -0.58 -1.26 -4.91 120.64 117.39 1mck n GLU 214 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1mck n GLU 214 Cb 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.49 1mck n GLU 214 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65