#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mlu s VAL 2 N 0.00 4.50 -0.10 3.84 1.01 -1.25 -3.61 120.40 124.79 3mlu s VAL 2 Ca 0.00 1.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 3mlu s VAL 2 Cb 0.00 -4.41 0.08 0.00 0.00 0.00 0.00 36.38 32.05 3mlu s VAL 2 CO 0.00 -0.63 0.72 0.00 0.00 0.00 0.00 175.10 175.19 3mlu s GLN 3 N 3.70 0.98 -0.14 2.72 -2.07 -0.60 -5.01 119.66 119.24 3mlu s GLN 3 Ca 0.41 0.37 -0.05 0.00 -1.82 0.00 0.00 55.36 54.28 3mlu s GLN 3 Cb -0.11 0.46 -0.03 0.00 -1.09 0.00 0.00 33.01 32.24 3mlu s GLN 3 CO 0.21 -0.28 0.02 -0.51 -1.32 0.00 0.00 175.29 173.41 3mlu s LEU 4 N -0.91 3.62 -0.07 2.60 1.43 -1.26 -2.41 118.68 121.67 3mlu s LEU 4 Ca -0.08 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 3mlu s LEU 4 Cb -0.01 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 3mlu s LEU 4 CO 0.08 0.25 -0.19 -0.69 0.23 0.00 0.00 176.35 176.02 3mlu s VAL 5 N -0.11 1.65 0.20 -1.59 1.01 0.17 -4.19 120.40 117.54 3mlu s VAL 5 Ca 0.05 -0.81 0.11 0.00 0.00 0.00 0.00 61.98 61.33 3mlu s VAL 5 Cb -0.12 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3mlu s VAL 5 CO 0.02 0.47 -0.21 -1.61 0.00 0.00 0.00 175.10 173.76 3mlu s GLU 6 N 0.22 1.62 0.96 2.72 2.02 -1.26 -0.59 118.70 124.38 3mlu s GLU 6 Ca -0.10 -1.51 -0.11 0.00 0.02 0.00 0.00 54.97 53.27 3mlu s GLU 6 Cb -0.15 -1.89 0.17 0.00 0.10 0.00 0.00 34.13 32.36 3mlu s GLU 6 CO 0.05 0.40 1.11 -1.54 0.02 0.00 0.00 175.26 175.29 3mlu s SER 7 N -2.78 2.70 0.86 -0.19 1.04 -0.65 -4.95 113.70 109.72 3mlu s SER 7 Ca 0.22 1.90 -0.13 0.00 0.48 0.00 0.00 55.95 58.43 3mlu s SER 7 Cb -0.08 -2.45 0.11 0.00 0.10 0.00 0.00 66.02 63.70 3mlu s SER 7 CO 0.11 -3.19 1.20 -0.83 0.98 0.00 0.00 173.24 171.51 3mlu s GLY 8 N -2.81 1.63 0.16 7.32 0.00 -1.26 -4.47 107.32 107.88 3mlu s GLY 8 Ca 0.66 -0.75 -0.30 0.00 0.00 0.00 0.00 44.72 44.33 3mlu s GLY 8 CO 0.59 -0.19 1.10 -0.32 0.00 0.00 0.00 173.10 174.28 3mlu s GLY 9 N -4.57 2.80 0.00 0.20 0.00 -1.26 -4.65 107.32 99.85 3mlu s GLY 9 Ca 0.65 0.80 0.07 0.00 0.00 0.00 0.00 44.72 46.24 3mlu s GLY 9 CO 0.50 1.70 -0.21 -0.54 0.00 0.00 0.00 173.10 174.55 3mlu s GLU 10 N -0.15 2.12 -0.42 2.90 0.41 -0.18 -4.95 118.70 118.42 3mlu s GLU 10 Ca 0.50 -0.93 -0.09 0.00 -0.41 0.00 0.00 54.97 54.04 3mlu s GLU 10 Cb -0.29 -2.14 0.08 0.00 -1.78 0.00 0.00 34.13 30.00 3mlu s GLU 10 CO 0.34 0.56 0.27 0.08 -0.49 0.00 0.00 175.26 176.02 3mlu s VAL 11 N -0.77 4.22 0.28 2.63 1.01 -1.26 -2.05 120.40 124.46 3mlu s VAL 11 Ca 0.12 -1.45 0.08 0.00 0.00 0.00 0.00 61.98 60.73 3mlu s VAL 11 Cb -0.10 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3mlu s VAL 11 CO 0.02 -0.54 0.18 -0.54 0.00 0.00 0.00 175.10 174.22 3mlu s LYS 12 N 1.42 2.74 0.10 2.72 -0.14 -0.65 -5.01 119.74 120.92 3mlu s LYS 12 Ca 0.03 -1.20 -0.02 0.00 -1.36 0.00 0.00 55.97 53.43 3mlu s LYS 12 Cb -0.23 -2.45 -0.05 0.00 -1.68 0.00 0.00 37.83 33.42 3mlu s LYS 12 CO 0.02 0.31 0.29 -0.65 -0.76 0.00 0.00 175.35 174.56 3mlu s GLN 13 N -3.85 3.52 0.20 1.68 -0.21 -1.26 -2.24 119.66 117.50 3mlu s GLN 13 Ca 0.35 -0.28 -0.32 0.00 0.02 0.00 0.00 55.36 55.12 3mlu s GLN 13 Cb -0.07 -2.95 -0.14 0.00 1.00 0.00 0.00 33.01 30.85 3mlu s GLN 13 CO 0.24 0.54 1.33 -2.30 -2.12 0.00 0.00 175.29 172.98 3mlu n PRO 14 N 0.17 1.69 -0.02 2.91 -0.02 -1.26 -1.31 135.00 137.15 3mlu n PRO 14 Ca -0.04 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3mlu n PRO 14 Cb 0.51 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3mlu n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mlu n GLY 15 N 2.22 1.56 3.81 -1.23 0.00 -0.31 -4.91 105.19 106.32 3mlu n GLY 15 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3mlu n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mlu s GLN 16 N -0.47 3.61 0.93 1.61 -0.21 -0.43 -4.43 119.66 120.27 3mlu s GLN 16 Ca 0.00 1.24 -0.13 0.00 0.02 0.00 0.00 55.36 56.49 3mlu s GLN 16 Cb 0.00 -2.07 0.19 0.00 1.00 0.00 0.00 33.01 32.13 3mlu s GLN 16 CO 0.00 -0.57 1.27 -1.54 -2.12 0.00 0.00 175.29 172.33 3mlu s SER 17 N -2.46 3.27 -0.22 5.90 1.04 -1.26 -0.55 113.70 119.43 3mlu s SER 17 Ca 0.65 0.12 -0.27 0.00 0.48 0.00 0.00 55.95 56.92 3mlu s SER 17 Cb -0.15 -0.20 0.12 0.00 0.10 0.00 0.00 66.02 65.89 3mlu s SER 17 CO 0.28 -2.62 0.99 -0.22 0.98 0.00 0.00 173.24 172.66 3mlu s LEU 18 N -5.77 -0.44 -0.12 2.42 2.96 -0.52 -4.86 118.68 112.35 3mlu s LEU 18 Ca 0.73 0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 55.28 3mlu s LEU 18 Cb -0.04 1.93 0.06 0.00 0.50 0.00 0.00 46.19 48.64 3mlu s LEU 18 CO 0.52 -0.26 0.25 -0.75 -1.32 0.00 0.00 176.35 174.79 3mlu s LYS 19 N -0.40 0.14 0.20 1.98 2.20 -1.26 0.83 119.74 123.43 3mlu s LYS 19 Ca 0.00 0.70 0.10 0.00 -0.36 0.00 0.00 55.97 56.41 3mlu s LYS 19 Cb -0.03 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.18 3mlu s LYS 19 CO -0.02 -0.27 -0.13 0.96 -0.36 0.00 0.00 175.35 175.53 3mlu s ILE 20 N 2.25 2.96 -0.03 5.43 -4.36 0.42 -4.97 121.20 122.91 3mlu s ILE 20 Ca -0.00 -1.82 0.08 0.00 -0.26 0.00 0.00 60.65 58.64 3mlu s ILE 20 Cb -0.12 -2.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.10 3mlu s ILE 20 CO -0.08 -0.16 -0.26 -0.94 0.24 0.00 0.00 174.94 173.74 3mlu s SER 21 N -2.91 3.05 -0.34 4.36 1.04 -1.26 -2.44 113.70 115.19 3mlu s SER 21 Ca 0.25 -0.48 -0.00 0.00 0.48 0.00 0.00 55.95 56.20 3mlu s SER 21 Cb -0.08 -0.43 0.11 0.00 0.10 0.00 0.00 66.02 65.71 3mlu s SER 21 CO 0.14 0.31 0.13 0.00 0.98 0.00 0.00 173.24 174.80 3mlu s LYS 23 N 1.33 4.75 0.07 0.00 2.20 0.24 0.16 119.74 128.48 3mlu s LYS 23 Ca 0.12 1.39 0.09 0.00 -0.36 0.00 0.00 55.97 57.21 3mlu s LYS 23 Cb -0.19 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 3mlu s LYS 23 CO -0.19 0.47 -0.25 0.45 -0.36 0.00 0.00 175.35 175.47 3mlu s SER 24 N -0.91 3.07 -0.23 1.43 0.15 -0.14 -0.65 113.70 116.42 3mlu s SER 24 Ca 0.41 -0.64 -0.27 0.00 0.70 0.00 0.00 55.95 56.15 3mlu s SER 24 Cb -0.25 -0.24 0.11 0.00 -1.71 0.00 0.00 66.02 63.93 3mlu s SER 24 CO 0.30 0.21 0.95 -0.94 1.20 0.00 0.00 173.24 174.95 3mlu s SER 25 N -1.53 -0.49 0.00 5.45 1.04 -1.01 -4.88 113.70 112.28 3mlu s SER 25 Ca 0.11 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.36 3mlu s SER 25 Cb -0.10 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3mlu s SER 25 CO 0.03 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.61 3mlu n GLY 26 N 1.78 1.24 2.67 7.32 0.00 -1.24 -1.55 105.19 115.40 3mlu n GLY 26 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3mlu n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3mlu n TYR 27 N -0.65 -1.21 -2.58 1.61 0.18 -1.26 -4.80 117.16 108.44 3mlu n TYR 27 Ca 0.00 -1.88 -0.42 0.00 1.88 0.00 0.00 57.90 57.47 3mlu n TYR 27 Cb 0.00 0.43 -0.02 0.00 -0.38 0.00 0.00 39.34 39.36 3mlu n TYR 27 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 3mlu s ASN 28 N -2.73 6.49 0.58 9.48 0.01 -1.26 -4.88 114.94 122.63 3mlu s ASN 28 Ca 0.23 0.21 0.28 0.00 -0.71 0.00 0.00 52.86 52.87 3mlu s ASN 28 Cb -0.01 -2.55 1.63 0.00 0.41 0.00 0.00 41.25 40.73 3mlu s ASN 28 CO 0.17 -1.43 2.11 0.15 -1.51 0.00 0.00 177.10 176.59 3mlu h PHE 29 N 9.49 0.00 0.00 2.20 3.57 -1.94 -2.48 116.94 127.78 3mlu h PHE 29 Ca -0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3mlu h PHE 29 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3mlu h PHE 29 CO 1.02 0.00 -1.27 1.28 -2.23 0.00 0.00 178.31 177.11 3mlu n LEU 30 N -3.88 0.53 0.05 0.59 4.77 -1.26 -4.23 117.00 113.57 3mlu n LEU 30 Ca 0.02 0.04 0.05 0.00 -0.03 0.00 0.00 56.01 56.09 3mlu n LEU 30 Cb 0.31 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3mlu n LEU 30 CO 0.28 -0.01 -0.24 0.47 -1.33 0.00 0.00 177.39 176.56 3mlu n ASP 31 N -2.17 0.74 -4.50 -1.43 10.43 -0.93 -3.39 116.55 115.30 3mlu n ASP 31 Ca 0.00 0.31 -0.35 0.00 2.57 0.00 0.00 54.79 57.32 3mlu n ASP 31 Cb 0.49 0.49 -0.12 0.00 1.84 0.00 0.00 41.12 43.82 3mlu n ASP 31 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3mlu s SER 32 N -5.47 4.99 0.66 -2.24 0.01 -1.23 -5.03 113.70 105.40 3mlu s SER 32 Ca -0.03 -0.12 -0.17 0.00 1.31 0.00 0.00 55.95 56.94 3mlu s SER 32 Cb 0.09 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 3mlu s SER 32 CO 0.81 0.11 0.84 0.79 0.41 0.00 0.00 173.24 176.21 3mlu n TRP 33 N 3.93 0.34 -4.59 2.43 7.02 -1.25 -4.60 117.44 120.71 3mlu n TRP 33 Ca -0.17 0.41 -0.32 0.00 -1.02 0.00 0.00 57.50 56.40 3mlu n TRP 33 Cb 0.52 -2.06 -0.11 0.00 -2.42 0.00 0.00 31.31 27.23 3mlu n TRP 33 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3mlu s ILE 34 N -1.69 3.40 0.25 -0.99 -1.09 -0.40 -1.13 121.20 119.55 3mlu s ILE 34 Ca 0.73 -0.80 0.10 0.00 -2.23 0.00 0.00 60.65 58.45 3mlu s ILE 34 Cb -0.39 -2.43 -0.05 0.00 -1.58 0.00 0.00 42.46 38.01 3mlu s ILE 34 CO 0.50 0.45 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.65 3mlu s GLY 35 N -1.22 1.70 -0.21 6.18 0.00 0.19 -2.54 107.32 111.43 3mlu s GLY 35 Ca 0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 43.06 3mlu s GLY 35 CO 0.05 -1.87 0.06 -0.98 0.00 0.00 0.00 173.10 170.35 3mlu s TRP 36 N -2.65 0.91 0.08 1.90 0.52 -1.09 0.52 118.94 119.14 3mlu s TRP 36 Ca 0.27 -0.85 0.09 0.00 0.02 0.00 0.00 56.10 55.62 3mlu s TRP 36 Cb -0.04 -1.03 -0.04 0.00 -1.15 0.00 0.00 33.47 31.22 3mlu s TRP 36 CO 0.12 -0.63 -0.22 0.08 0.02 0.00 0.00 176.95 176.32 3mlu s VAL 37 N 1.90 2.57 0.04 4.03 1.01 0.11 0.08 120.40 130.13 3mlu s VAL 37 Ca 0.01 -1.44 0.04 0.00 0.00 0.00 0.00 61.98 60.58 3mlu s VAL 37 Cb -0.17 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3mlu s VAL 37 CO -0.12 0.22 -0.04 -0.60 0.00 0.00 0.00 175.10 174.56 3mlu s ARG 38 N -1.75 2.55 -0.30 2.72 3.52 0.23 0.12 118.95 126.04 3mlu s ARG 38 Ca 0.15 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 55.02 3mlu s ARG 38 Cb -0.10 -2.52 0.08 0.00 -1.56 0.00 0.00 34.95 30.84 3mlu s ARG 38 CO 0.06 0.58 -0.03 -1.14 -0.81 0.00 0.00 175.30 173.97 3mlu s GLN 39 N -1.76 1.88 -1.20 5.12 0.74 0.12 -1.02 119.66 123.56 3mlu s GLN 39 Ca 0.20 -1.61 -0.12 0.00 0.05 0.00 0.00 55.36 53.88 3mlu s GLN 39 Cb -0.11 -3.06 0.19 0.00 1.10 0.00 0.00 33.01 31.13 3mlu s GLN 39 CO 0.11 -0.76 1.44 -0.89 -0.55 0.00 0.00 175.29 174.65 3mlu n ILE 40 N 4.35 4.35 -1.65 -2.34 -0.00 -1.20 -1.15 119.36 121.74 3mlu n ILE 40 Ca -0.05 -4.84 -0.48 0.00 -0.00 0.00 0.00 62.75 57.38 3mlu n ILE 40 Cb 0.42 -2.46 -0.05 0.00 -0.00 0.00 0.00 39.64 37.55 3mlu n ILE 40 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 3mlu n PRO 41 N 4.80 1.84 0.00 0.38 -0.02 -1.26 0.64 135.00 141.38 3mlu n PRO 41 Ca 0.35 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 3mlu n PRO 41 Cb 0.41 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3mlu n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mlu n GLY 42 N 3.18 2.96 1.91 -1.23 0.00 -1.26 -5.02 105.19 105.73 3mlu n GLY 42 Ca 0.18 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 3mlu n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mlu n LYS 43 N 0.00 0.15 0.00 1.61 4.76 0.21 -5.12 118.16 119.76 3mlu n LYS 43 Ca 0.00 -1.30 0.00 0.00 -2.87 0.00 0.00 58.31 54.14 3mlu n LYS 43 Cb 0.00 -0.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.82 3mlu n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mlu n GLY 44 N 1.16 -1.29 3.88 0.72 0.00 -1.26 -4.58 105.19 103.82 3mlu n GLY 44 Ca 0.08 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 3mlu n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlu s LEU 45 N 0.00 4.29 -0.23 0.99 1.43 -1.26 -3.24 118.68 120.66 3mlu s LEU 45 Ca 0.00 0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 53.79 3mlu s LEU 45 Cb 0.00 -3.22 0.08 0.00 0.03 0.00 0.00 46.19 43.08 3mlu s LEU 45 CO 0.00 0.09 0.11 -0.70 0.23 0.00 0.00 176.35 176.07 3mlu s GLU 46 N -2.34 0.16 0.33 1.70 2.12 -0.18 -4.94 118.70 115.55 3mlu s GLU 46 Ca 0.38 -0.32 -0.28 0.00 0.36 0.00 0.00 54.97 55.11 3mlu s GLU 46 Cb -0.13 -1.55 -0.10 0.00 0.26 0.00 0.00 34.13 32.62 3mlu s GLU 46 CO 0.21 -0.83 1.21 -0.46 -0.54 0.00 0.00 175.26 174.85 3mlu s TRP 47 N 2.10 3.22 -0.09 5.30 -0.00 -1.26 -0.61 118.94 127.60 3mlu s TRP 47 Ca 0.05 1.54 -0.08 0.00 -0.00 0.00 0.00 56.10 57.61 3mlu s TRP 47 Cb -0.16 -3.49 -0.04 0.00 -0.00 0.00 0.00 33.47 29.77 3mlu s TRP 47 CO -0.22 -1.33 -0.17 -0.89 -0.00 0.00 0.00 176.95 174.34 3mlu n ILE 48 N 0.76 1.01 -3.62 5.86 5.41 0.11 -4.73 119.36 124.17 3mlu n ILE 48 Ca 0.01 0.02 -0.02 0.00 1.00 0.00 0.00 62.75 63.76 3mlu n ILE 48 Cb 0.44 -1.80 -0.02 0.00 -0.71 0.00 0.00 39.64 37.55 3mlu n ILE 48 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3mlu s GLY 49 N -4.88 -0.28 0.18 7.39 0.00 -1.22 0.11 107.32 108.62 3mlu s GLY 49 Ca -0.16 1.61 0.10 0.00 0.00 0.00 0.00 44.72 46.26 3mlu s GLY 49 CO 0.22 0.51 -0.14 -0.26 0.00 0.00 0.00 173.10 173.42 3mlu s ILE 50 N -2.16 2.91 -0.04 0.90 -4.36 -0.88 -2.68 121.20 114.89 3mlu s ILE 50 Ca 0.12 -1.77 -0.12 0.00 -0.26 0.00 0.00 60.65 58.62 3mlu s ILE 50 Cb 0.01 -2.43 0.02 0.00 1.25 0.00 0.00 42.46 41.31 3mlu s ILE 50 CO -0.04 -0.10 0.26 -0.51 0.24 0.00 0.00 174.94 174.79 3mlu s ILE 51 N -1.67 0.05 -0.33 8.37 2.07 -1.05 -0.41 121.20 128.23 3mlu s ILE 51 Ca 0.23 -0.40 -0.08 0.00 -1.41 0.00 0.00 60.65 59.00 3mlu s ILE 51 Cb -0.09 -0.51 0.02 0.00 0.13 0.00 0.00 42.46 42.02 3mlu s ILE 51 CO 0.13 -0.22 0.12 -0.47 -1.91 0.00 0.00 174.94 172.59 3mlu s TYR 52 N -0.93 3.20 0.27 3.50 5.04 -0.41 -1.27 117.35 126.75 3mlu s TYR 52 Ca -0.10 -1.10 0.34 0.00 -2.44 0.00 0.00 57.07 53.77 3mlu s TYR 52 Cb -0.05 -2.30 1.85 0.00 0.35 0.00 0.00 41.96 41.81 3mlu s TYR 52 CO 0.03 -0.63 2.04 -1.35 -1.34 0.00 0.00 175.55 174.29 3mlu h PRO 52 N 8.28 0.00 -0.16 4.97 0.11 -1.79 1.54 132.00 144.94 3mlu h PRO 52 Ca -0.28 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.69 3mlu h PRO 52 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3mlu h PRO 52 CO 0.62 0.00 -0.46 0.22 -0.21 0.00 0.00 178.00 178.17 3mlu h ASP 53 N 0.00 0.68 0.00 -2.05 3.58 -1.85 -3.40 116.42 113.38 3mlu h ASP 53 Ca 0.00 -0.59 0.00 0.00 0.42 0.00 0.00 57.03 56.86 3mlu h ASP 53 Cb 0.01 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.86 3mlu h ASP 53 CO 0.00 1.15 -0.15 -0.90 -2.88 0.00 0.00 179.24 176.46 3mlu n ASP 54 N -4.22 0.76 -0.80 2.28 3.85 -0.71 -5.03 116.55 112.68 3mlu n ASP 54 Ca -0.07 -0.22 -0.09 0.00 -0.71 0.00 0.00 54.79 53.71 3mlu n ASP 54 Cb 0.57 0.59 -0.03 0.00 -1.35 0.00 0.00 41.12 40.90 3mlu n ASP 54 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3mlu n SER 55 N -0.66 -3.69 -4.72 -1.12 7.64 0.52 -4.98 113.62 106.60 3mlu n SER 55 Ca 0.00 0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.59 3mlu n SER 55 Cb 0.00 -2.34 -0.03 0.00 -1.01 0.00 0.00 64.21 60.83 3mlu n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3mlu s ASP 56 N -2.79 6.49 0.39 6.43 -1.08 -1.25 -4.69 116.67 120.16 3mlu s ASP 56 Ca 0.00 2.75 0.06 0.00 -0.52 0.00 0.00 52.55 54.84 3mlu s ASP 56 Cb 0.00 -2.60 -0.07 0.00 -1.46 0.00 0.00 42.92 38.79 3mlu s ASP 56 CO 0.00 -0.89 0.02 0.00 0.52 0.00 0.00 175.17 174.83 3mlu s ALA 57 N 0.99 2.97 -0.27 3.66 0.00 -1.26 -1.28 121.76 126.56 3mlu s ALA 57 Ca 0.71 -2.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 3mlu s ALA 57 Cb -0.46 0.31 0.13 0.00 0.00 0.00 0.00 23.12 23.10 3mlu s ALA 57 CO 0.34 -0.17 0.31 -1.01 0.00 0.00 0.00 175.76 175.23 3mlu s HIS 58 N -2.88 -0.56 0.16 0.00 3.76 0.45 -4.95 115.29 111.27 3mlu s HIS 58 Ca 0.35 0.05 -0.24 0.00 -0.15 0.00 0.00 55.06 55.06 3mlu s HIS 58 Cb 0.09 -0.36 -0.08 0.00 1.11 0.00 0.00 32.58 33.35 3mlu s HIS 58 CO 0.17 -0.87 0.76 0.71 -0.85 0.00 0.00 174.74 174.66 3mlu s TYR 59 N 2.40 3.88 0.25 1.40 1.51 -1.26 -2.07 117.35 123.46 3mlu s TYR 59 Ca 0.09 1.59 -0.31 0.00 -1.01 0.00 0.00 57.07 57.44 3mlu s TYR 59 Cb -0.14 -2.74 -0.11 0.00 -0.11 0.00 0.00 41.96 38.86 3mlu s TYR 59 CO -0.28 0.51 1.62 0.45 -1.11 0.00 0.00 175.55 176.74 3mlu s SER 60 N -1.18 6.42 0.00 2.29 0.15 0.30 -4.83 113.70 116.85 3mlu s SER 60 Ca 0.36 2.86 0.00 0.00 0.70 0.00 0.00 55.95 59.87 3mlu s SER 60 Cb -0.22 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 3mlu s SER 60 CO 0.25 -0.91 0.00 -2.65 1.20 0.00 0.00 173.24 171.14 3mlu n PRO 61 N 2.98 0.00 0.00 5.44 -0.02 -1.26 -1.07 135.00 141.07 3mlu n PRO 61 Ca 0.11 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.62 3mlu n PRO 61 Cb 0.37 -1.00 0.01 0.00 -0.02 0.00 0.00 33.50 32.86 3mlu n PRO 61 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3mlu n SER 62 N -0.40 1.03 0.00 2.55 7.64 -1.26 -4.68 113.62 118.50 3mlu n SER 62 Ca 0.00 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.87 3mlu n SER 62 Cb 0.00 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 3mlu n SER 62 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3mlu n PHE 63 N -0.19 0.00 -1.65 1.43 3.72 -0.23 -4.89 117.46 115.65 3mlu n PHE 63 Ca 0.02 0.00 -0.51 0.00 -0.05 0.00 0.00 57.45 56.91 3mlu n PHE 63 Cb 0.11 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 3mlu n PHE 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3mlu n GLU 64 N -0.88 1.70 0.00 -1.08 2.13 -1.02 -0.64 120.64 120.85 3mlu n GLU 64 Ca 0.00 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.42 3mlu n GLU 64 Cb 0.00 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.22 3mlu n GLU 64 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mlu n GLY 65 N 4.78 2.62 0.00 8.31 0.00 -1.26 -4.80 105.19 114.83 3mlu n GLY 65 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.35 3mlu n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mlu n GLN 66 N -0.15 2.73 -4.00 1.61 10.64 0.18 -5.02 117.38 123.38 3mlu n GLN 66 Ca 0.00 -0.02 -0.09 0.00 -1.83 0.00 0.00 57.00 55.06 3mlu n GLN 66 Cb 0.00 -1.08 -0.11 0.00 -0.86 0.00 0.00 30.24 28.19 3mlu n GLN 66 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3mlu s VAL 67 N -2.20 0.18 -0.04 -0.39 0.11 0.16 -4.61 120.40 113.61 3mlu s VAL 67 Ca 0.03 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 3mlu s VAL 67 Cb 0.08 -0.41 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 3mlu s VAL 67 CO 0.47 -0.52 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.80 3mlu s THR 68 N -1.64 0.41 -0.17 5.04 2.01 0.19 -4.67 115.64 116.81 3mlu s THR 68 Ca -0.13 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 3mlu s THR 68 Cb -0.09 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 3mlu s THR 68 CO -0.01 0.21 0.02 -0.04 -0.69 0.00 0.00 174.62 174.10 3mlu s MET 69 N 1.12 3.84 0.20 4.92 -1.94 -1.26 0.59 119.30 126.77 3mlu s MET 69 Ca -0.08 -0.42 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 3mlu s MET 69 Cb -0.14 -3.09 -0.05 0.00 2.01 0.00 0.00 34.83 33.57 3mlu s MET 69 CO -0.01 0.25 0.05 -1.54 -0.01 0.00 0.00 175.02 173.76 3mlu s SER 70 N 0.40 1.05 0.03 3.03 1.04 0.73 -4.99 113.70 114.99 3mlu s SER 70 Ca -0.00 -1.27 0.03 0.00 0.48 0.00 0.00 55.95 55.19 3mlu s SER 70 Cb -0.13 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 3mlu s SER 70 CO 0.01 -0.66 -0.09 0.68 0.98 0.00 0.00 173.24 174.16 3mlu s VAL 71 N -3.76 0.70 -0.29 5.02 -7.23 -1.26 -0.43 120.40 113.13 3mlu s VAL 71 Ca 0.30 -0.90 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 3mlu s VAL 71 Cb 0.07 -0.69 0.09 0.00 0.56 0.00 0.00 36.38 36.41 3mlu s VAL 71 CO 0.08 -0.17 0.03 -0.62 -0.31 0.00 0.00 175.10 174.11 3mlu s ASP 72 N -1.18 4.18 0.35 4.85 3.68 -0.36 -5.01 116.67 123.17 3mlu s ASP 72 Ca -0.04 -1.63 0.11 0.00 2.13 0.00 0.00 52.55 53.11 3mlu s ASP 72 Cb -0.08 -1.19 0.64 0.00 -1.45 0.00 0.00 42.92 40.84 3mlu s ASP 72 CO 0.01 -0.35 1.79 0.11 0.13 0.00 0.00 175.17 176.86 3mlu h LYS 73 N 7.90 0.07 0.00 4.34 1.57 -1.89 -1.39 116.57 127.17 3mlu h LYS 73 Ca -0.12 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3mlu h LYS 73 Cb 1.04 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 3mlu h LYS 73 CO 0.46 0.44 -0.13 0.77 -0.57 0.00 0.00 179.45 180.43 3mlu h SER 74 N 0.06 0.00 -0.05 0.86 0.02 -1.96 -1.95 113.55 110.53 3mlu h SER 74 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mlu h SER 74 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3mlu h SER 74 CO 0.05 0.13 0.00 2.30 -1.14 0.00 0.00 176.83 178.17 3mlu n ILE 75 N -3.26 1.07 -3.90 3.27 -5.35 -1.08 -5.01 119.36 105.09 3mlu n ILE 75 Ca 0.01 -1.09 -0.32 0.00 -0.27 0.00 0.00 62.75 61.08 3mlu n ILE 75 Cb 0.39 0.45 0.01 0.00 -1.74 0.00 0.00 39.64 38.74 3mlu n ILE 75 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3mlu n SER 76 N -0.43 -2.82 -3.92 7.28 7.64 -0.55 -4.72 113.62 116.10 3mlu n SER 76 Ca 0.03 -1.09 -0.17 0.00 1.01 0.00 0.00 58.87 58.65 3mlu n SER 76 Cb 0.30 -2.81 -0.15 0.00 -1.01 0.00 0.00 64.21 60.54 3mlu n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mlu s THR 77 N -3.73 0.40 0.05 0.44 2.01 -1.02 -0.97 115.64 112.83 3mlu s THR 77 Ca 0.27 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.18 3mlu s THR 77 Cb -0.12 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 3mlu s THR 77 CO 0.90 0.15 -0.06 0.00 -0.69 0.00 0.00 174.62 174.93 3mlu s ALA 78 N 0.35 3.08 -0.00 7.40 0.00 0.12 -1.23 121.76 131.49 3mlu s ALA 78 Ca -0.04 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.86 3mlu s ALA 78 Cb -0.08 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 3mlu s ALA 78 CO -0.00 0.64 -0.12 0.71 0.00 0.00 0.00 175.76 176.99 3mlu s TYR 79 N -1.13 1.03 -0.03 0.00 1.51 0.42 -0.00 117.35 119.15 3mlu s TYR 79 Ca 0.20 -0.22 0.05 0.00 -1.01 0.00 0.00 57.07 56.10 3mlu s TYR 79 Cb -0.11 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 41.07 3mlu s TYR 79 CO 0.12 -0.01 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.19 3mlu s LEU 80 N -0.42 1.99 -0.01 -1.29 2.96 -1.02 -0.19 118.68 120.69 3mlu s LEU 80 Ca 0.04 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 3mlu s LEU 80 Cb -0.05 -1.01 0.00 0.00 0.50 0.00 0.00 46.19 45.63 3mlu s LEU 80 CO -0.00 0.20 0.11 0.00 -1.32 0.00 0.00 176.35 175.34 3mlu s GLN 81 N -0.21 0.34 0.00 1.98 -2.07 0.20 -0.44 119.66 119.46 3mlu s GLN 81 Ca 0.02 -0.23 0.00 0.00 -1.82 0.00 0.00 55.36 53.33 3mlu s GLN 81 Cb -0.10 0.14 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 3mlu s GLN 81 CO 0.01 -0.07 0.00 0.91 -1.32 0.00 0.00 175.29 174.82 3mlu n TRP 82 N 2.02 -1.02 -1.57 9.60 8.01 0.24 -0.64 117.44 134.09 3mlu n TRP 82 Ca -0.19 0.00 -0.48 0.00 -1.31 0.00 0.00 57.50 55.51 3mlu n TRP 82 Cb 0.57 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.81 3mlu n TRP 82 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.69 174.31 3mlu n THR 82 N -0.34 0.36 -1.31 -0.99 5.66 -1.26 -1.44 114.28 114.96 3mlu n THR 82 Ca 0.00 -0.25 -0.29 0.00 -3.05 0.00 0.00 64.05 60.47 3mlu n THR 82 Cb 0.00 -1.92 0.16 0.00 -1.55 0.00 0.00 70.33 67.02 3mlu n THR 82 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3mlu s LEU 82 N 6.32 1.77 -0.14 1.09 1.43 0.29 -4.78 118.68 124.66 3mlu s LEU 82 Ca 1.02 1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 3mlu s LEU 82 Cb -0.69 -3.35 0.11 0.00 0.03 0.00 0.00 46.19 42.29 3mlu s LEU 82 CO 0.48 -2.90 0.93 0.00 0.23 0.00 0.00 176.35 175.09 3mlu s GLN 83 N -5.08 0.69 0.55 1.70 -2.07 -1.26 -1.16 119.66 113.02 3mlu s GLN 83 Ca 0.65 0.19 0.42 0.00 -1.82 0.00 0.00 55.36 54.80 3mlu s GLN 83 Cb -0.17 0.33 1.63 0.00 -1.09 0.00 0.00 33.01 33.70 3mlu s GLN 83 CO 0.56 -0.21 1.71 0.00 -1.32 0.00 0.00 175.29 176.03 3mlu h ALA 84 N 2.71 3.43 -0.64 2.60 0.00 -1.97 0.69 119.26 126.08 3mlu h ALA 84 Ca -0.20 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3mlu h ALA 84 Cb 1.16 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3mlu h ALA 84 CO 0.32 -1.86 0.11 0.66 0.00 0.00 0.00 179.25 178.49 3mlu h SER 85 N 0.00 1.01 0.00 0.00 4.64 -1.96 -2.70 113.55 114.54 3mlu h SER 85 Ca 0.72 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3mlu h SER 85 Cb 2.88 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 64.70 3mlu h SER 85 CO -0.01 1.01 0.01 0.47 -0.87 0.00 0.00 176.83 177.43 3mlu n ASP 86 N -4.26 0.00 -4.75 4.97 8.00 0.24 -4.69 116.55 116.06 3mlu n ASP 86 Ca 0.04 0.02 -0.35 0.00 0.71 0.00 0.00 54.79 55.20 3mlu n ASP 86 Cb 0.28 -0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.41 3mlu n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mlu s THR 87 N -1.81 2.75 0.00 -3.53 2.01 -1.02 -4.88 115.64 109.16 3mlu s THR 87 Ca 0.00 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.43 3mlu s THR 87 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.42 3mlu s THR 87 CO 0.00 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 3mlu n GLY 88 N 0.26 2.38 3.53 4.40 0.00 -0.47 -4.87 105.19 110.42 3mlu n GLY 88 Ca 0.13 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 3mlu n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mlu s LYS 89 N -1.63 3.45 -0.27 1.61 2.20 -0.30 -1.29 119.74 123.51 3mlu s LYS 89 Ca 0.00 -0.50 -0.18 0.00 -0.36 0.00 0.00 55.97 54.93 3mlu s LYS 89 Cb 0.00 -3.85 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 3mlu s LYS 89 CO 0.00 -0.61 0.54 0.71 -0.36 0.00 0.00 175.35 175.63 3mlu s TYR 90 N 2.05 3.26 -0.15 4.03 1.51 0.20 -0.70 117.35 127.55 3mlu s TYR 90 Ca 0.12 0.62 -0.03 0.00 -1.01 0.00 0.00 57.07 56.76 3mlu s TYR 90 Cb -0.17 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 38.88 3mlu s TYR 90 CO 0.12 -0.33 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.14 3mlu s PHE 91 N 2.37 3.03 0.05 2.71 0.40 0.12 0.06 117.98 126.72 3mlu s PHE 91 Ca 0.22 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 3mlu s PHE 91 Cb -0.16 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 3mlu s PHE 91 CO 0.10 0.01 0.18 0.00 0.70 0.00 0.00 175.22 176.21 3mlu s THR 93 N -1.45 0.27 -0.19 0.00 -1.32 0.19 -0.92 115.64 112.21 3mlu s THR 93 Ca 0.33 -1.98 -0.02 0.00 -1.21 0.00 0.00 61.69 58.80 3mlu s THR 93 Cb -0.13 -2.39 -0.01 0.00 -1.51 0.00 0.00 72.50 68.46 3mlu s THR 93 CO 0.25 -0.16 -0.08 -0.60 -2.21 0.00 0.00 174.62 171.82 3mlu s ARG 94 N -4.07 3.35 -0.20 7.08 3.00 -0.63 0.57 118.95 128.05 3mlu s ARG 94 Ca 0.34 -0.66 -0.29 0.00 -1.00 0.00 0.00 55.73 54.12 3mlu s ARG 94 Cb 0.07 -2.87 -0.01 0.00 0.00 0.00 0.00 34.95 32.15 3mlu s ARG 94 CO 0.09 -0.09 1.20 -1.17 0.00 0.00 0.00 175.30 175.33 3mlu s LEU 95 N 1.15 4.13 -0.20 -0.88 2.96 -0.28 -3.23 118.68 122.32 3mlu s LEU 95 Ca 0.01 1.54 -0.11 0.00 -0.22 0.00 0.00 54.13 55.36 3mlu s LEU 95 Cb -0.14 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 3mlu s LEU 95 CO -0.02 -0.77 0.19 -0.47 -1.32 0.00 0.00 176.35 173.96 3mlu s TYR 96 N 3.50 3.40 -0.69 5.38 5.04 0.22 -3.96 117.35 130.25 3mlu s TYR 96 Ca 0.52 0.38 -0.27 0.00 -2.44 0.00 0.00 57.07 55.26 3mlu s TYR 96 Cb -0.19 -2.25 0.03 0.00 0.35 0.00 0.00 41.96 39.90 3mlu s TYR 96 CO 0.13 0.21 1.31 -1.17 -1.34 0.00 0.00 175.55 174.69 3mlu s LEU 97 N 0.59 3.24 -1.08 6.97 2.96 -1.26 -2.00 118.68 128.09 3mlu s LEU 97 Ca 0.10 -0.25 -0.22 0.00 -0.22 0.00 0.00 54.13 53.54 3mlu s LEU 97 Cb -0.12 -2.70 0.06 0.00 0.50 0.00 0.00 46.19 43.93 3mlu s LEU 97 CO 0.01 -1.80 1.50 -0.36 -1.32 0.00 0.00 176.35 174.38 3mlu s PHE 98 N 5.83 2.61 -0.99 5.38 0.40 -0.52 -4.91 117.98 125.79 3mlu s PHE 98 Ca 0.40 -1.05 -0.25 0.00 -0.60 0.00 0.00 56.93 55.42 3mlu s PHE 98 Cb -0.08 -4.70 -0.19 0.00 0.51 0.00 0.00 43.02 38.56 3mlu s PHE 98 CO 0.18 -1.89 1.98 0.39 0.70 0.00 0.00 175.22 176.58 3mlu n GLU 99 N 8.67 0.73 -0.21 0.44 1.02 -1.26 -2.56 120.64 127.46 3mlu n GLU 99 Ca 0.36 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.58 3mlu n GLU 99 Cb 0.50 -3.65 0.00 0.00 -0.02 0.00 0.00 31.44 28.26 3mlu n GLU 99 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mlu n GLY 100 N 5.78 0.29 0.00 0.62 0.00 -1.26 -5.02 105.19 105.59 3mlu n GLY 100 Ca 0.44 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3mlu n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlu n ALA 100 N -3.00 -0.37 -1.96 4.61 0.00 -1.26 -4.94 120.51 113.60 3mlu n ALA 100 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3mlu n ALA 100 Cb 0.00 0.03 0.09 0.00 0.00 0.00 0.00 19.45 19.57 3mlu n ALA 100 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3mlu s GLN 100 N -2.58 1.87 0.00 0.00 1.11 -1.26 -5.27 119.66 113.54 3mlu s GLN 100 Ca 0.00 -0.61 0.00 0.00 0.01 0.00 0.00 55.36 54.76 3mlu s GLN 100 Cb 0.00 -2.22 0.00 0.00 -1.01 0.00 0.00 33.01 29.78 3mlu s GLN 100 CO 0.00 -1.39 0.00 -1.13 0.01 0.00 0.00 175.29 172.78 3mlu n SER 100 N -2.93 0.00 -4.08 5.90 3.41 -1.06 -5.02 113.62 109.84 3mlu n SER 100 Ca 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.62 3mlu n SER 100 Cb 0.60 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.45 3mlu n SER 100 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3mlu s ASN 100 N 0.00 0.70 -0.21 4.04 -0.87 -1.26 -1.44 114.94 115.90 3mlu s ASN 100 Ca 0.00 -0.79 -0.36 0.00 -1.57 0.00 0.00 52.86 50.14 3mlu s ASN 100 Cb 0.00 0.11 0.15 0.00 -0.02 0.00 0.00 41.25 41.50 3mlu s ASN 100 CO 0.00 -0.41 1.41 0.00 -2.57 0.00 0.00 177.10 175.54 3mlu s ALA 100 N -2.71 -2.34 -0.81 0.60 0.00 -0.85 -4.97 121.76 110.68 3mlu s ALA 100 Ca -0.01 1.51 -0.18 0.00 0.00 0.00 0.00 51.96 53.29 3mlu s ALA 100 Cb -0.01 -0.14 0.14 0.00 0.00 0.00 0.00 23.12 23.12 3mlu s ALA 100 CO -0.04 -0.77 0.93 -0.06 0.00 0.00 0.00 175.76 175.82 3mlu s PHE 100 N -2.02 3.23 -0.43 0.00 0.08 -1.26 0.73 117.98 118.31 3mlu s PHE 100 Ca 0.13 -1.40 0.23 0.00 0.12 0.00 0.00 56.93 56.02 3mlu s PHE 100 Cb 0.03 -4.11 0.28 0.00 -0.57 0.00 0.00 43.02 38.65 3mlu s PHE 100 CO -0.04 -1.33 1.40 0.38 -0.10 0.00 0.00 175.22 175.52 3mlu h ASP 101 N 8.69 0.00 -4.43 1.36 2.03 -1.93 -3.46 116.42 118.67 3mlu h ASP 101 Ca 0.02 -0.03 -0.61 0.00 -0.73 0.00 0.00 57.03 55.68 3mlu h ASP 101 Cb 1.04 0.00 -0.29 0.00 -0.83 0.00 0.00 39.33 39.25 3mlu h ASP 101 CO 1.02 0.01 -0.86 -0.22 -1.03 0.00 0.00 179.24 178.17 3mlu s LEU 102 N -5.48 2.05 -0.05 0.15 0.20 -1.25 -5.04 118.68 109.25 3mlu s LEU 102 Ca 0.05 -0.39 -0.04 0.00 0.69 0.00 0.00 54.13 54.44 3mlu s LEU 102 Cb 0.08 -1.08 0.02 0.00 -0.43 0.00 0.00 46.19 44.78 3mlu s LEU 102 CO 0.71 0.25 0.14 0.26 -0.29 0.00 0.00 176.35 177.42 3mlu s TRP 103 N -0.51 -0.15 0.96 5.38 0.52 -1.26 -1.61 118.94 122.27 3mlu s TRP 103 Ca 0.08 0.39 -0.12 0.00 0.02 0.00 0.00 56.10 56.48 3mlu s TRP 103 Cb -0.08 0.01 0.17 0.00 -1.15 0.00 0.00 33.47 32.41 3mlu s TRP 103 CO -0.01 -0.10 1.09 0.20 0.02 0.00 0.00 176.95 178.15 3mlu s GLY 104 N 0.43 1.61 0.30 0.98 0.00 -0.09 -4.56 107.32 106.00 3mlu s GLY 104 Ca -0.03 -0.01 0.25 0.00 0.00 0.00 0.00 44.72 44.94 3mlu s GLY 104 CO -0.02 0.53 1.76 0.06 0.00 0.00 0.00 173.10 175.43 3mlu h GLN 105 N -1.83 0.00 0.00 2.90 -0.00 -1.89 -3.44 115.11 110.85 3mlu h GLN 105 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.14 3mlu h GLN 105 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 3mlu h GLN 105 CO 0.52 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.76 3mlu n GLY 106 N 0.04 0.68 3.64 0.06 0.00 -1.26 -5.02 105.19 103.33 3mlu n GLY 106 Ca 0.02 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 3mlu n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mlu s THR 107 N -0.85 4.69 -0.17 2.61 2.01 0.11 -4.90 115.64 119.14 3mlu s THR 107 Ca 0.00 -0.07 -0.16 0.00 0.31 0.00 0.00 61.69 61.77 3mlu s THR 107 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 3mlu s THR 107 CO 0.00 0.49 0.39 -0.32 -0.69 0.00 0.00 174.62 174.49 3mlu s MET 108 N 0.15 4.24 -0.21 4.92 0.00 -1.26 0.58 119.30 127.72 3mlu s MET 108 Ca 0.04 0.23 0.02 0.00 0.00 0.00 0.00 55.69 55.98 3mlu s MET 108 Cb -0.12 -3.48 0.04 0.00 0.00 0.00 0.00 34.83 31.26 3mlu s MET 108 CO 0.01 0.09 -0.16 0.42 0.00 0.00 0.00 175.02 175.38 3mlu s ILE 109 N 0.90 2.14 -0.37 10.11 -1.09 -0.41 -1.01 121.20 131.47 3mlu s ILE 109 Ca 0.20 -1.21 -0.11 0.00 -2.23 0.00 0.00 60.65 57.30 3mlu s ILE 109 Cb -0.14 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.72 3mlu s ILE 109 CO 0.07 0.31 0.21 -0.22 -1.23 0.00 0.00 174.94 174.08 3mlu s LEU 110 N 1.22 4.71 -0.43 2.97 2.96 -0.87 -1.36 118.68 127.88 3mlu s LEU 110 Ca -0.00 -0.95 -0.16 0.00 -0.22 0.00 0.00 54.13 52.79 3mlu s LEU 110 Cb -0.16 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.53 3mlu s LEU 110 CO -0.10 -0.38 0.39 -0.69 -1.32 0.00 0.00 176.35 174.25 3mlu s VAL 111 N 1.57 5.17 0.14 1.68 1.01 -1.26 -1.64 120.40 127.07 3mlu s VAL 111 Ca 0.02 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 3mlu s VAL 111 Cb -0.19 -4.02 0.07 0.00 0.00 0.00 0.00 36.38 32.23 3mlu s VAL 111 CO 0.07 -0.42 0.79 -0.55 0.00 0.00 0.00 175.10 174.99 3mlu s SER 112 N 1.92 -0.35 -0.01 3.32 0.15 -0.95 -4.54 113.70 113.24 3mlu s SER 112 Ca 0.08 -0.23 0.18 0.00 0.70 0.00 0.00 55.95 56.68 3mlu s SER 112 Cb -0.19 0.55 -0.21 0.00 -1.71 0.00 0.00 66.02 64.45 3mlu s SER 112 CO 0.11 -0.95 0.68 -1.54 1.20 0.00 0.00 173.24 172.74 3mlu n SER 113 N -0.38 0.83 -4.30 5.45 3.41 -1.26 -4.29 113.62 113.07 3mlu n SER 113 Ca -0.09 -0.72 -0.40 0.00 -0.26 0.00 0.00 58.87 57.40 3mlu n SER 113 Cb 0.62 1.18 0.01 0.00 -0.26 0.00 0.00 64.21 65.76 3mlu n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlu n GLY 114 N 1.43 -2.79 3.94 5.00 0.00 -1.26 -4.95 105.19 106.55 3mlu n GLY 114 Ca 0.02 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 3mlu n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mlu s THR 115 N -1.83 5.24 0.18 2.61 2.01 -1.26 -5.02 115.64 117.57 3mlu s THR 115 Ca 0.59 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 3mlu s THR 115 Cb -0.55 -3.78 -0.10 0.00 0.01 0.00 0.00 72.50 68.08 3mlu s THR 115 CO 0.63 -0.23 1.55 -0.89 -0.69 0.00 0.00 174.62 175.00 3mlu s THR 116 N -1.91 2.60 -0.29 -0.82 2.01 -1.23 -4.29 115.64 111.71 3mlu s THR 116 Ca 0.37 0.44 -0.16 0.00 0.31 0.00 0.00 61.69 62.65 3mlu s THR 116 Cb -0.10 -3.28 0.14 0.00 0.01 0.00 0.00 72.50 69.26 3mlu s THR 116 CO 0.30 0.04 0.94 -0.75 -0.69 0.00 0.00 174.62 174.46 3mlu s LYS 117 N 0.84 0.40 0.26 4.92 2.20 -0.40 -4.96 119.74 123.00 3mlu s LYS 117 Ca 0.68 0.74 -0.19 0.00 -0.36 0.00 0.00 55.97 56.84 3mlu s LYS 117 Cb -0.44 0.14 -0.09 0.00 -1.51 0.00 0.00 37.83 35.94 3mlu s LYS 117 CO 0.34 -0.09 0.74 0.20 -0.36 0.00 0.00 175.35 176.18 3mlu s GLY 118 N 1.53 2.55 0.52 5.54 0.00 -1.26 -2.28 107.32 113.92 3mlu s GLY 118 Ca -0.08 0.16 -0.20 0.00 0.00 0.00 0.00 44.72 44.60 3mlu s GLY 118 CO -0.16 0.48 1.09 2.56 0.00 0.00 0.00 173.10 177.07 3mlu s PRO 119 N -2.25 3.56 0.61 2.90 0.04 -1.26 -4.82 135.00 133.78 3mlu s PRO 119 Ca 0.46 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 3mlu s PRO 119 Cb -0.15 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.36 3mlu s PRO 119 CO 0.20 -0.66 0.93 -1.12 0.04 0.00 0.00 177.00 176.39 3mlu s SER 120 N -1.88 5.52 -0.08 6.66 0.01 -0.76 -4.89 113.70 118.27 3mlu s SER 120 Ca 0.70 0.74 -0.03 0.00 1.31 0.00 0.00 55.95 58.67 3mlu s SER 120 Cb -0.20 -1.68 0.04 0.00 0.21 0.00 0.00 66.02 64.39 3mlu s SER 120 CO 0.24 -1.13 0.17 -0.69 0.41 0.00 0.00 173.24 172.23 3mlu s VAL 121 N -3.05 -0.16 -0.10 3.43 1.01 -1.26 -1.82 120.40 118.45 3mlu s VAL 121 Ca 0.55 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.80 3mlu s VAL 121 Cb -0.11 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.01 3mlu s VAL 121 CO 0.46 0.11 -0.13 -0.36 0.00 0.00 0.00 175.10 175.18 3mlu s PHE 122 N 1.73 1.75 0.28 5.22 0.08 0.44 -4.95 117.98 122.53 3mlu s PHE 122 Ca -0.03 -0.81 -0.30 0.00 0.12 0.00 0.00 56.93 55.91 3mlu s PHE 122 Cb -0.12 -1.31 -0.13 0.00 -0.57 0.00 0.00 43.02 40.89 3mlu s PHE 122 CO -0.06 -0.45 1.31 -0.35 -0.10 0.00 0.00 175.22 175.56 3mlu n PRO 123 N 4.33 1.97 -3.48 0.24 -0.04 -1.26 0.63 135.00 137.38 3mlu n PRO 123 Ca -0.18 0.70 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 3mlu n PRO 123 Cb 0.51 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.64 3mlu n PRO 123 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mlu s LEU 124 N -0.30 6.08 0.65 1.53 1.43 0.80 -4.74 118.68 124.12 3mlu s LEU 124 Ca 0.62 -3.15 -0.15 0.00 -1.03 0.00 0.00 54.13 50.42 3mlu s LEU 124 Cb -0.63 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 43.52 3mlu s LEU 124 CO 0.56 -0.38 1.11 0.00 0.23 0.00 0.00 176.35 177.87 3mlu s ALA 125 N -0.53 2.48 0.41 4.21 0.00 -1.26 -0.95 121.76 126.12 3mlu s ALA 125 Ca 0.23 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.63 3mlu s ALA 125 Cb -0.12 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 3mlu s ALA 125 CO -0.08 -1.24 0.81 -1.25 0.00 0.00 0.00 175.76 174.00 3mlu s PRO 126 N -4.02 3.88 0.00 0.00 0.05 -1.26 -4.85 135.00 128.80 3mlu s PRO 126 Ca 0.68 0.64 0.00 0.00 0.05 0.00 0.00 61.00 62.37 3mlu s PRO 126 Cb -0.21 -2.34 0.00 0.00 0.05 0.00 0.00 34.50 32.00 3mlu s PRO 126 CO 0.40 -0.04 0.00 -1.13 0.05 0.00 0.00 177.00 176.28 3mlu n SER 127 N -1.12 0.00 0.19 6.66 3.41 -1.26 -4.22 113.62 117.27 3mlu n SER 127 Ca 0.04 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.68 3mlu n SER 127 Cb 0.54 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.65 3mlu n SER 127 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3mlu h GLY 134 N 0.00 0.00 -3.74 5.00 0.00 -2.02 -3.52 103.07 98.79 3mlu h GLY 134 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3mlu h GLY 134 CO 0.00 0.00 -0.85 -0.51 0.00 0.00 0.00 176.54 175.18 3mlu s THR 135 N -3.27 2.22 0.21 4.70 -4.23 -1.26 -2.34 115.64 111.67 3mlu s THR 135 Ca -0.01 -1.81 0.11 0.00 -1.18 0.00 0.00 61.69 58.80 3mlu s THR 135 Cb 0.02 -1.99 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 3mlu s THR 135 CO 0.05 0.02 -0.23 0.00 -0.54 0.00 0.00 174.62 173.92 3mlu s ALA 136 N -1.25 2.53 -0.21 3.99 0.00 0.26 -4.80 121.76 122.28 3mlu s ALA 136 Ca 0.15 -1.68 -0.02 0.00 0.00 0.00 0.00 51.96 50.41 3mlu s ALA 136 Cb -0.09 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3mlu s ALA 136 CO 0.07 0.38 -0.09 0.00 0.00 0.00 0.00 175.76 176.12 3mlu s ALA 137 N -1.87 2.65 0.36 0.00 0.00 -1.26 -0.44 121.76 121.20 3mlu s ALA 137 Ca 0.22 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 51.04 3mlu s ALA 137 Cb -0.07 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.45 3mlu s ALA 137 CO 0.11 -0.46 0.07 -0.48 0.00 0.00 0.00 175.76 174.99 3mlu s LEU 138 N 1.40 3.04 -0.09 0.00 0.05 -0.97 -4.06 118.68 118.05 3mlu s LEU 138 Ca 0.05 -1.01 -0.32 0.00 0.05 0.00 0.00 54.13 52.90 3mlu s LEU 138 Cb -0.14 -1.39 0.14 0.00 -2.05 0.00 0.00 46.19 42.75 3mlu s LEU 138 CO -0.06 -0.33 1.43 -0.83 -0.55 0.00 0.00 176.35 176.01 3mlu s GLY 139 N -3.77 -0.45 -0.12 -3.48 0.00 -0.12 -0.27 107.32 99.10 3mlu s GLY 139 Ca 0.37 0.82 -0.02 0.00 0.00 0.00 0.00 44.72 45.89 3mlu s GLY 139 CO 0.20 1.32 -0.06 0.00 0.00 0.00 0.00 173.10 174.56 3mlu s LEU 141 N -0.07 4.17 -0.35 0.00 2.96 0.21 -1.47 118.68 124.13 3mlu s LEU 141 Ca 0.01 0.66 0.02 0.00 -0.22 0.00 0.00 54.13 54.60 3mlu s LEU 141 Cb -0.13 -2.66 0.10 0.00 0.50 0.00 0.00 46.19 43.99 3mlu s LEU 141 CO 0.03 -0.13 0.07 -0.69 -1.32 0.00 0.00 176.35 174.32 3mlu s VAL 142 N 1.39 2.59 0.02 1.68 1.01 -0.49 -0.42 120.40 126.18 3mlu s VAL 142 Ca 0.23 -2.14 0.06 0.00 0.00 0.00 0.00 61.98 60.13 3mlu s VAL 142 Cb -0.15 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3mlu s VAL 142 CO 0.09 -0.54 -0.17 -0.75 0.00 0.00 0.00 175.10 173.74 3mlu s LYS 143 N 1.01 2.18 -0.82 2.72 2.20 -0.75 -1.63 119.74 124.65 3mlu s LYS 143 Ca 0.07 -0.91 -0.02 0.00 -0.36 0.00 0.00 55.97 54.75 3mlu s LYS 143 Cb -0.20 -2.24 -0.01 0.00 -1.51 0.00 0.00 37.83 33.87 3mlu s LYS 143 CO -0.06 0.56 0.73 -0.25 -0.36 0.00 0.00 175.35 175.97 3mlu n ASP 144 N 1.70 -7.23 -4.29 1.43 8.00 0.39 -1.83 116.55 114.72 3mlu n ASP 144 Ca -0.16 -0.31 -0.18 0.00 0.71 0.00 0.00 54.79 54.85 3mlu n ASP 144 Cb 0.52 -4.88 -0.11 0.00 -0.02 0.00 0.00 41.12 36.64 3mlu n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mlu s TYR 145 N -3.09 1.55 -0.26 1.24 -0.85 -0.17 -4.45 117.35 111.33 3mlu s TYR 145 Ca 0.10 -0.58 -0.17 0.00 -0.52 0.00 0.00 57.07 55.90 3mlu s TYR 145 Cb -0.02 -0.76 0.07 0.00 0.38 0.00 0.00 41.96 41.63 3mlu s TYR 145 CO 0.77 0.24 0.64 0.12 -1.52 0.00 0.00 175.55 175.80 3mlu s PHE 146 N -2.64 -0.92 0.00 -3.49 5.36 -0.97 -0.11 117.98 115.21 3mlu s PHE 146 Ca 0.16 1.92 0.00 0.00 -0.96 0.00 0.00 56.93 58.06 3mlu s PHE 146 Cb -0.02 0.49 0.00 0.00 -0.34 0.00 0.00 43.02 43.15 3mlu s PHE 146 CO 0.04 -0.46 0.00 -0.35 -1.46 0.00 0.00 175.22 173.00 3mlu n PRO 147 N 3.94 1.27 -1.90 10.12 -0.04 -1.26 -1.27 135.00 145.85 3mlu n PRO 147 Ca -0.19 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.95 3mlu n PRO 147 Cb 0.58 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.05 3mlu n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mlu s GLU 148 N -1.02 3.36 0.26 0.54 2.02 -1.26 -4.74 118.70 117.85 3mlu s GLU 148 Ca 0.00 0.98 0.11 0.00 0.02 0.00 0.00 54.97 56.07 3mlu s GLU 148 Cb 0.00 -2.05 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 3mlu s GLU 148 CO 0.00 -0.77 -0.11 -1.25 0.02 0.00 0.00 175.26 173.15 3mlu s PRO 149 N -4.65 1.95 0.56 0.39 0.04 -1.26 -5.00 135.00 127.04 3mlu s PRO 149 Ca 0.59 -1.55 -0.03 0.00 0.04 0.00 0.00 61.00 60.05 3mlu s PRO 149 Cb -0.13 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.45 3mlu s PRO 149 CO 0.46 0.36 0.82 0.14 0.04 0.00 0.00 177.00 178.82 3mlu s VAL 150 N -2.27 3.40 -0.07 -0.36 -7.23 -1.26 -4.43 120.40 108.18 3mlu s VAL 150 Ca 0.29 -0.30 0.02 0.00 -1.81 0.00 0.00 61.98 60.18 3mlu s VAL 150 Cb -0.06 -3.32 0.01 0.00 0.56 0.00 0.00 36.38 33.57 3mlu s VAL 150 CO 0.16 -0.28 -0.13 0.42 -0.31 0.00 0.00 175.10 174.96 3mlu s THR 151 N -2.85 1.20 -0.14 5.32 -4.23 0.42 -4.99 115.64 110.37 3mlu s THR 151 Ca 0.54 -0.51 0.02 0.00 -1.18 0.00 0.00 61.69 60.55 3mlu s THR 151 Cb -0.10 -1.09 0.01 0.00 1.34 0.00 0.00 72.50 72.65 3mlu s THR 151 CO 0.42 0.37 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.98 3mlu s VAL 152 N 0.67 2.29 0.48 2.29 1.01 -1.26 -1.60 120.40 124.28 3mlu s VAL 152 Ca -0.14 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 60.96 3mlu s VAL 152 Cb -0.16 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3mlu s VAL 152 CO 0.04 0.54 0.04 -0.94 0.00 0.00 0.00 175.10 174.77 3mlu s SER 153 N 0.79 4.11 -0.02 3.32 1.04 -0.97 -4.98 113.70 116.99 3mlu s SER 153 Ca -0.07 -1.53 0.02 0.00 0.48 0.00 0.00 55.95 54.85 3mlu s SER 153 Cb -0.16 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3mlu s SER 153 CO -0.01 -0.75 -0.07 0.26 0.98 0.00 0.00 173.24 173.65 3mlu s TRP 154 N -2.82 0.73 -1.47 5.02 0.52 -1.25 -1.36 118.94 118.31 3mlu s TRP 154 Ca 0.16 -0.16 -0.12 0.00 0.02 0.00 0.00 56.10 56.01 3mlu s TRP 154 Cb 0.04 -0.51 0.07 0.00 -1.15 0.00 0.00 33.47 31.92 3mlu s TRP 154 CO 0.09 -0.06 0.79 0.09 0.02 0.00 0.00 176.95 177.88 3mlu n ASN 155 N 3.17 -4.65 0.00 2.95 3.02 0.32 -1.69 115.26 118.37 3mlu n ASN 155 Ca -0.16 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3mlu n ASN 155 Cb 0.56 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.97 3mlu n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mlu n SER 156 N -2.63 0.00 0.00 6.41 7.64 -1.26 -2.31 113.62 121.47 3mlu n SER 156 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3mlu n SER 156 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3mlu n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mlu n GLY 157 N -2.00 0.21 0.08 0.23 0.00 -0.68 -5.01 105.19 98.02 3mlu n GLY 157 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3mlu n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlu h ALA 158 N 0.00 0.45 -3.26 4.61 0.00 -1.25 -3.44 119.26 116.37 3mlu h ALA 158 Ca 0.00 -0.86 -0.69 0.00 0.00 0.00 0.00 54.91 53.36 3mlu h ALA 158 Cb 0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 17.39 3mlu h ALA 158 CO 0.00 1.14 -0.62 -1.17 0.00 0.00 0.00 179.25 178.60 3mlu s LEU 159 N -6.59 4.49 0.00 0.00 2.96 -0.79 -4.87 118.68 113.88 3mlu s LEU 159 Ca 0.01 -1.48 0.00 0.00 -0.22 0.00 0.00 54.13 52.44 3mlu s LEU 159 Cb 0.09 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.98 3mlu s LEU 159 CO 0.81 -0.38 0.11 0.35 -1.32 0.00 0.00 176.35 175.92 3mlu n THR 160 N 4.68 0.00 -3.95 3.68 -2.24 -1.26 -3.97 114.28 111.22 3mlu n THR 160 Ca -0.10 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 60.92 3mlu n THR 160 Cb 0.43 1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 3mlu n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mlu s SER 161 N -0.60 4.80 0.00 3.42 1.04 -1.26 -4.20 113.70 116.90 3mlu s SER 161 Ca 0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3mlu s SER 161 Cb 0.00 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.29 3mlu s SER 161 CO 0.00 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.85 3mlu n GLY 162 N 4.54 0.30 3.63 7.32 0.00 -1.26 -4.80 105.19 114.91 3mlu n GLY 162 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3mlu n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mlu s VAL 163 N -2.08 4.79 -0.27 1.61 1.01 -1.26 -0.68 120.40 123.52 3mlu s VAL 163 Ca 0.00 1.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 3mlu s VAL 163 Cb 0.00 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.27 3mlu s VAL 163 CO 0.00 -0.19 -0.05 -2.28 0.00 0.00 0.00 175.10 172.58 3mlu s HIS 164 N 2.96 3.19 -0.45 5.22 2.46 0.22 -4.98 115.29 123.91 3mlu s HIS 164 Ca 0.34 -1.86 -0.14 0.00 0.47 0.00 0.00 55.06 53.87 3mlu s HIS 164 Cb -0.14 -2.05 0.06 0.00 -0.13 0.00 0.00 32.58 30.32 3mlu s HIS 164 CO 0.10 -0.80 0.35 0.99 -2.47 0.00 0.00 174.74 172.91 3mlu s THR 165 N 1.24 5.02 0.55 0.89 2.01 -1.26 -1.02 115.64 123.07 3mlu s THR 165 Ca -0.04 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 60.72 3mlu s THR 165 Cb -0.19 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 3mlu s THR 165 CO -0.03 -0.51 1.10 -0.36 -0.69 0.00 0.00 174.62 174.12 3mlu s PHE 166 N 1.60 2.78 0.98 4.92 0.40 -0.10 -4.99 117.98 123.57 3mlu s PHE 166 Ca 0.04 1.55 -0.12 0.00 -0.60 0.00 0.00 56.93 57.80 3mlu s PHE 166 Cb -0.23 -3.18 0.13 0.00 0.51 0.00 0.00 43.02 40.24 3mlu s PHE 166 CO 0.06 -1.36 0.78 -2.30 0.70 0.00 0.00 175.22 173.11 3mlu n PRO 167 N -1.48 -0.79 -3.91 0.24 -0.02 -1.26 -4.26 135.00 123.52 3mlu n PRO 167 Ca 0.11 -0.18 -0.32 0.00 -2.02 0.00 0.00 63.50 61.08 3mlu n PRO 167 Cb 0.52 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 3mlu n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mlu s ALA 168 N -2.49 3.98 0.47 3.55 0.00 -1.26 -4.51 121.76 121.50 3mlu s ALA 168 Ca 0.63 -0.80 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 3mlu s ALA 168 Cb -0.22 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 3mlu s ALA 168 CO 0.63 0.79 0.79 0.14 0.00 0.00 0.00 175.76 178.11 3mlu s VAL 169 N -1.41 4.88 -0.45 0.00 -7.23 0.39 -4.89 120.40 111.69 3mlu s VAL 169 Ca 0.31 0.29 -0.10 0.00 -1.81 0.00 0.00 61.98 60.67 3mlu s VAL 169 Cb -0.13 -3.84 0.10 0.00 0.56 0.00 0.00 36.38 33.07 3mlu s VAL 169 CO 0.23 -0.81 0.32 -0.22 -0.31 0.00 0.00 175.10 174.32 3mlu s LEU 170 N -4.61 5.50 0.87 1.32 2.96 -1.26 -2.52 118.68 120.95 3mlu s LEU 170 Ca 0.48 -1.69 -0.12 0.00 -0.22 0.00 0.00 54.13 52.59 3mlu s LEU 170 Cb -0.10 -2.03 0.11 0.00 0.50 0.00 0.00 46.19 44.67 3mlu s LEU 170 CO 0.43 -0.64 1.11 0.00 -1.32 0.00 0.00 176.35 175.93 3mlu s GLN 171 N 1.43 1.47 0.48 1.98 -2.07 0.17 -4.90 119.66 118.23 3mlu s GLN 171 Ca 0.04 0.52 0.33 0.00 -1.82 0.00 0.00 55.36 54.43 3mlu s GLN 171 Cb -0.25 -1.86 1.50 0.00 -1.09 0.00 0.00 33.01 31.31 3mlu s GLN 171 CO 0.01 -2.02 1.97 0.77 -1.32 0.00 0.00 175.29 174.71 3mlu h SER 172 N -1.37 0.00 0.66 12.60 0.02 -1.99 0.06 113.55 123.53 3mlu h SER 172 Ca -0.49 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 3mlu h SER 172 Cb 1.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 3mlu h SER 172 CO 0.60 0.00 -0.09 0.77 -1.14 0.00 0.00 176.83 176.96 3mlu h SER 173 N 0.00 0.00 0.00 3.07 4.64 -2.04 -3.45 113.55 115.77 3mlu h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mlu h SER 173 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3mlu h SER 173 CO 0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3mlu n GLY 174 N -0.30 0.96 3.78 -0.77 0.00 0.01 -4.85 105.19 104.02 3mlu n GLY 174 Ca -0.01 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3mlu n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlu s LEU 175 N 0.00 3.23 0.13 0.99 1.43 -1.24 -4.70 118.68 118.52 3mlu s LEU 175 Ca 0.00 -0.92 0.08 0.00 -1.03 0.00 0.00 54.13 52.26 3mlu s LEU 175 Cb 0.00 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3mlu s LEU 175 CO 0.00 -0.53 -0.12 -0.31 0.23 0.00 0.00 176.35 175.61 3mlu s TYR 176 N -2.53 2.64 -0.06 0.29 1.51 0.84 -0.65 117.35 119.39 3mlu s TYR 176 Ca 0.43 -0.21 -0.04 0.00 -1.01 0.00 0.00 57.07 56.24 3mlu s TYR 176 Cb 0.01 -1.36 0.02 0.00 -0.11 0.00 0.00 41.96 40.51 3mlu s TYR 176 CO 0.24 0.44 0.14 -1.12 -1.11 0.00 0.00 175.55 174.14 3mlu s SER 177 N -2.36 -0.14 0.32 2.29 0.01 -1.05 -0.46 113.70 112.32 3mlu s SER 177 Ca 0.21 0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.79 3mlu s SER 177 Cb -0.10 0.26 -0.06 0.00 0.21 0.00 0.00 66.02 66.33 3mlu s SER 177 CO 0.13 -0.08 0.07 -1.48 0.41 0.00 0.00 173.24 172.30 3mlu s LEU 178 N 0.39 2.04 0.10 2.44 0.05 -0.64 -0.46 118.68 122.59 3mlu s LEU 178 Ca -0.03 -1.41 0.05 0.00 0.05 0.00 0.00 54.13 52.79 3mlu s LEU 178 Cb -0.04 -0.26 -0.03 0.00 -2.05 0.00 0.00 46.19 43.80 3mlu s LEU 178 CO -0.02 -0.67 -0.12 -0.44 -0.55 0.00 0.00 176.35 174.55 3mlu s SER 179 N -3.46 1.63 -0.16 1.48 0.01 -1.26 -1.40 113.70 110.54 3mlu s SER 179 Ca 0.35 -0.75 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 3mlu s SER 179 Cb 0.08 -0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.33 3mlu s SER 179 CO 0.15 -0.18 0.02 -0.55 0.41 0.00 0.00 173.24 173.09 3mlu s SER 180 N -2.24 2.56 -0.10 2.44 0.15 -0.54 -0.93 113.70 115.04 3mlu s SER 180 Ca 0.04 -0.62 -0.04 0.00 0.70 0.00 0.00 55.95 56.03 3mlu s SER 180 Cb -0.05 -0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 63.64 3mlu s SER 180 CO 0.01 -0.27 0.05 0.54 1.20 0.00 0.00 173.24 174.78 3mlu s VAL 181 N 1.87 4.74 -0.08 4.45 0.11 -0.19 -0.02 120.40 131.29 3mlu s VAL 181 Ca 0.01 -0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 3mlu s VAL 181 Cb -0.16 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 3mlu s VAL 181 CO -0.07 0.61 0.07 -0.69 -3.33 0.00 0.00 175.10 171.69 3mlu s VAL 182 N -0.92 4.86 -0.26 2.04 1.01 0.63 0.71 120.40 128.47 3mlu s VAL 182 Ca 0.14 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 3mlu s VAL 182 Cb -0.12 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3mlu s VAL 182 CO 0.03 0.55 0.15 -0.89 0.00 0.00 0.00 175.10 174.94 3mlu s THR 183 N -1.01 5.07 0.23 3.92 2.01 0.14 -2.29 115.64 123.72 3mlu s THR 183 Ca 0.16 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.30 3mlu s THR 183 Cb -0.12 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 3mlu s THR 183 CO 0.06 0.30 -0.06 0.68 -0.69 0.00 0.00 174.62 174.92 3mlu s VAL 184 N 1.48 1.37 0.52 3.82 -7.23 0.41 -4.62 120.40 116.16 3mlu s VAL 184 Ca 0.07 -2.09 -0.22 0.00 -1.81 0.00 0.00 61.98 57.93 3mlu s VAL 184 Cb -0.15 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 3mlu s VAL 184 CO 0.07 -0.41 1.26 -2.84 -0.31 0.00 0.00 175.10 172.88 3mlu s PRO 185 N -3.77 3.32 0.03 4.82 0.02 -1.26 0.90 135.00 139.07 3mlu s PRO 185 Ca 0.26 2.00 -0.27 0.00 0.02 0.00 0.00 61.00 63.01 3mlu s PRO 185 Cb 0.04 -2.25 -0.17 0.00 0.02 0.00 0.00 34.50 32.14 3mlu s PRO 185 CO 0.08 -0.97 1.40 0.77 -0.33 0.00 0.00 177.00 177.95 3mlu h SER 186 N 1.56 -0.39 -0.67 2.53 0.02 -1.78 -3.31 113.55 111.51 3mlu h SER 186 Ca -0.50 -0.11 0.14 0.00 -0.84 0.00 0.00 61.79 60.48 3mlu h SER 186 Cb 1.28 0.10 -0.10 0.00 0.14 0.00 0.00 62.40 63.82 3mlu h SER 186 CO 0.58 -0.11 0.11 0.77 -1.14 0.00 0.00 176.83 177.05 3mlu h SER 187 N -0.68 -0.07 -0.55 3.07 4.64 -1.93 -2.49 113.55 115.53 3mlu h SER 187 Ca -0.05 0.14 -0.62 0.00 -0.47 0.00 0.00 61.79 60.80 3mlu h SER 187 Cb 0.48 0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 62.72 3mlu h SER 187 CO 0.08 -0.05 2.41 -1.54 -0.87 0.00 0.00 176.83 176.86 3mlu n SER 188 N -5.19 7.82 -0.02 4.97 3.41 -1.25 -4.21 113.62 119.16 3mlu n SER 188 Ca 0.11 -2.84 -0.04 0.00 -0.26 0.00 0.00 58.87 55.84 3mlu n SER 188 Cb 0.40 -1.43 -0.01 0.00 -0.26 0.00 0.00 64.21 62.90 3mlu n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mlu n LEU 189 N 2.45 0.48 0.24 1.04 4.77 -0.94 -3.81 117.00 121.24 3mlu n LEU 189 Ca 0.65 0.04 0.16 0.00 -0.03 0.00 0.00 56.01 56.84 3mlu n LEU 189 Cb 0.36 -0.12 0.71 0.00 -2.33 0.00 0.00 43.42 42.04 3mlu n LEU 189 CO 0.64 0.12 0.98 1.23 -1.33 0.00 0.00 177.39 179.03 3mlu h GLY 190 N -0.11 0.00 0.00 -0.72 0.00 -1.81 -3.38 103.07 97.05 3mlu h GLY 190 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3mlu h GLY 190 CO -0.06 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.89 3mlu n THR 191 N -2.83 0.00 -1.72 4.70 -1.04 -1.26 -4.92 114.28 107.20 3mlu n THR 191 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 3mlu n THR 191 Cb 0.24 -0.16 0.02 0.00 -1.82 0.00 0.00 70.33 68.61 3mlu n THR 191 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3mlu n GLN 192 N -0.41 1.90 -3.83 -2.82 -0.06 -1.25 -5.00 117.38 105.90 3mlu n GLN 192 Ca 0.00 0.68 -0.34 0.00 -2.00 0.00 0.00 57.00 55.34 3mlu n GLN 192 Cb 0.00 -2.49 -0.05 0.00 -4.06 0.00 0.00 30.24 23.64 3mlu n GLN 192 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3mlu s THR 193 N -1.24 5.39 -0.26 1.69 2.01 -1.26 -4.71 115.64 117.26 3mlu s THR 193 Ca 0.65 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.70 3mlu s THR 193 Cb -0.46 -3.53 0.07 0.00 0.01 0.00 0.00 72.50 68.59 3mlu s THR 193 CO 0.55 0.39 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.56 3mlu s TYR 194 N -1.26 2.33 -0.12 4.92 2.02 -1.26 -4.94 117.35 119.03 3mlu s TYR 194 Ca 0.25 -1.84 0.02 0.00 -0.37 0.00 0.00 57.07 55.13 3mlu s TYR 194 Cb -0.13 -1.73 0.02 0.00 -0.40 0.00 0.00 41.96 39.71 3mlu s TYR 194 CO 0.15 -0.80 -0.16 0.42 -1.57 0.00 0.00 175.55 173.59 3mlu s ILE 195 N 1.41 1.62 -0.13 2.71 1.01 -1.26 -0.36 121.20 126.20 3mlu s ILE 195 Ca -0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 3mlu s ILE 195 Cb -0.18 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3mlu s ILE 195 CO -0.10 0.47 0.13 0.00 0.00 0.00 0.00 174.94 175.43 3mlu s ASN 197 N -0.79 4.54 -0.37 0.00 0.01 -0.46 -1.56 114.94 116.31 3mlu s ASN 197 Ca 0.14 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 52.10 3mlu s ASN 197 Cb -0.12 -1.73 0.11 0.00 0.41 0.00 0.00 41.25 39.92 3mlu s ASN 197 CO 0.03 0.15 0.15 -0.69 -1.51 0.00 0.00 177.10 175.23 3mlu s VAL 198 N 0.44 1.38 -0.06 1.60 1.01 -0.24 -2.30 120.40 122.22 3mlu s VAL 198 Ca -0.05 -2.06 -0.20 0.00 0.00 0.00 0.00 61.98 59.66 3mlu s VAL 198 Cb -0.15 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3mlu s VAL 198 CO 0.03 -0.75 0.57 0.21 0.00 0.00 0.00 175.10 175.17 3mlu s ASN 199 N 0.96 6.86 -0.50 3.32 2.47 -0.63 -2.68 114.94 124.74 3mlu s ASN 199 Ca 0.13 1.03 0.03 0.00 0.42 0.00 0.00 52.86 54.47 3mlu s ASN 199 Cb -0.21 -2.34 0.15 0.00 -1.45 0.00 0.00 41.25 37.40 3mlu s ASN 199 CO -0.12 0.01 0.33 -2.28 -3.72 0.00 0.00 177.10 171.32 3mlu s HIS 200 N 0.36 2.19 0.31 0.43 5.65 0.22 -0.44 115.29 124.01 3mlu s HIS 200 Ca 0.31 -2.65 0.08 0.00 0.25 0.00 0.00 55.06 53.05 3mlu s HIS 200 Cb -0.17 -1.88 0.84 0.00 -1.18 0.00 0.00 32.58 30.19 3mlu s HIS 200 CO 0.15 -0.73 1.72 0.87 -0.65 0.00 0.00 174.74 176.09 3mlu h LYS 201 N 6.13 0.51 -1.24 2.88 1.57 -1.83 -1.15 116.57 123.43 3mlu h LYS 201 Ca 0.10 -0.03 0.39 0.00 -1.87 0.00 0.00 60.65 59.24 3mlu h LYS 201 Cb 0.88 -0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.95 3mlu h LYS 201 CO 0.52 0.33 0.79 -1.35 -0.57 0.00 0.00 179.45 179.18 3mlu h PRO 202 N 0.52 0.15 -0.05 3.15 0.11 -1.91 0.24 132.00 134.22 3mlu h PRO 202 Ca 0.62 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.72 3mlu h PRO 202 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3mlu h PRO 202 CO -0.49 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 176.27 3mlu n SER 203 N -4.70 2.44 -3.25 -2.05 3.41 -0.47 -4.88 113.62 104.13 3mlu n SER 203 Ca 0.34 -2.66 -0.18 0.00 -0.26 0.00 0.00 58.87 56.12 3mlu n SER 203 Cb 1.29 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 3mlu n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mlu n ASN 204 N -0.91 -3.18 -3.95 4.04 5.03 0.86 -4.86 115.26 112.29 3mlu n ASN 204 Ca 0.11 -0.57 -0.28 0.00 0.87 0.00 0.00 54.58 54.71 3mlu n ASN 204 Cb 0.53 -1.04 -0.17 0.00 -1.02 0.00 0.00 39.78 38.08 3mlu n ASN 204 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3mlu s THR 205 N -2.40 1.26 -0.07 3.41 2.01 -1.19 -4.99 115.64 113.67 3mlu s THR 205 Ca 0.04 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.63 3mlu s THR 205 Cb -0.00 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 3mlu s THR 205 CO 0.58 0.40 -0.19 -0.54 -0.69 0.00 0.00 174.62 174.19 3mlu s LYS 206 N 1.61 2.76 -0.01 4.92 1.02 -1.26 -0.61 119.74 128.17 3mlu s LYS 206 Ca 0.05 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.27 3mlu s LYS 206 Cb -0.13 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 3mlu s LYS 206 CO -0.09 0.40 -0.06 0.08 -0.92 0.00 0.00 175.35 174.76 3mlu s VAL 207 N -0.18 0.55 -0.13 3.17 1.01 -1.09 -4.96 120.40 118.76 3mlu s VAL 207 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3mlu s VAL 207 Cb -0.13 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 3mlu s VAL 207 CO 0.03 0.17 -0.17 -1.81 0.00 0.00 0.00 175.10 173.33 3mlu s ASP 208 N 0.05 3.66 -0.17 3.32 1.01 -1.26 -1.08 116.67 122.20 3mlu s ASP 208 Ca -0.00 -0.43 -0.01 0.00 0.71 0.00 0.00 52.55 52.81 3mlu s ASP 208 Cb -0.05 -1.54 0.05 0.00 1.01 0.00 0.00 42.92 42.39 3mlu s ASP 208 CO -0.00 0.14 -0.01 -0.75 0.21 0.00 0.00 175.17 174.76 3mlu s LYS 209 N 0.46 1.00 -0.06 8.23 2.47 -0.60 -4.98 119.74 126.27 3mlu s LYS 209 Ca -0.12 -0.42 -0.30 0.00 -1.56 0.00 0.00 55.97 53.58 3mlu s LYS 209 Cb -0.16 -1.93 -0.04 0.00 -1.46 0.00 0.00 37.83 34.24 3mlu s LYS 209 CO 0.05 -0.51 1.27 0.21 0.16 0.00 0.00 175.35 176.53 3mlu s LYS 210 N 1.76 4.32 -0.53 4.03 2.47 -1.26 -1.94 119.74 128.58 3mlu s LYS 210 Ca 0.00 1.75 -0.19 0.00 -1.56 0.00 0.00 55.97 55.98 3mlu s LYS 210 Cb -0.16 -3.60 0.07 0.00 -1.46 0.00 0.00 37.83 32.69 3mlu s LYS 210 CO -0.07 -0.52 0.62 0.08 0.16 0.00 0.00 175.35 175.62 3mlu s VAL 211 N 2.47 4.90 -0.17 4.02 1.01 0.52 -4.90 120.40 128.25 3mlu s VAL 211 Ca 0.58 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 3mlu s VAL 211 Cb -0.26 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 3mlu s VAL 211 CO 0.22 -0.87 0.26 -1.61 0.00 0.00 0.00 175.10 173.10 3mlu s GLU 212 N 2.52 4.24 0.52 2.72 2.02 -1.26 -4.64 118.70 124.83 3mlu s GLU 212 Ca 0.13 0.03 -0.19 0.00 0.02 0.00 0.00 54.97 54.95 3mlu s GLU 212 Cb -0.21 -3.43 -0.10 0.00 0.10 0.00 0.00 34.13 30.49 3mlu s GLU 212 CO 0.10 0.25 0.55 -2.30 0.02 0.00 0.00 175.26 173.87 3mlu n PRO 213 N 3.57 0.57 -2.67 0.39 -0.02 -1.26 -4.71 135.00 130.88 3mlu n PRO 213 Ca -0.13 0.22 -0.22 0.00 -2.02 0.00 0.00 63.50 61.35 3mlu n PRO 213 Cb 0.52 -1.66 0.06 0.00 -0.02 0.00 0.00 33.50 32.40 3mlu n PRO 213 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3mlu s LYS 214 N -1.94 2.20 0.00 -0.52 -2.85 -1.26 -5.00 119.74 110.38 3mlu s LYS 214 Ca 0.67 -1.00 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 3mlu s LYS 214 Cb -0.49 -2.45 0.00 0.00 -2.06 0.00 0.00 37.83 32.83 3mlu s LYS 214 CO 0.56 -0.99 0.00 0.45 0.10 0.00 0.00 175.35 175.47