#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lrs s GLU 2 N 0.00 3.83 -0.04 -1.09 2.02 -1.25 -4.10 118.70 118.07 3lrs s GLU 2 Ca 0.00 2.30 -0.05 0.00 0.02 0.00 0.00 54.97 57.24 3lrs s GLU 2 Cb 0.00 -4.19 0.01 0.00 0.10 0.00 0.00 34.13 30.06 3lrs s GLU 2 CO 0.00 -1.29 0.14 -1.14 0.02 0.00 0.00 175.26 172.98 3lrs s GLN 3 N 4.95 0.21 -0.03 1.61 0.74 -0.43 -4.97 119.66 121.74 3lrs s GLN 3 Ca 0.88 0.09 0.03 0.00 0.05 0.00 0.00 55.36 56.42 3lrs s GLN 3 Cb -0.37 0.10 -0.00 0.00 1.10 0.00 0.00 33.01 33.84 3lrs s GLN 3 CO 0.37 -0.03 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.43 3lrs s LEU 4 N -0.17 1.86 -0.16 3.68 1.43 -1.26 -1.98 118.68 122.07 3lrs s LEU 4 Ca -0.02 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3lrs s LEU 4 Cb -0.02 -0.77 0.04 0.00 0.03 0.00 0.00 46.19 45.47 3lrs s LEU 4 CO 0.00 0.11 -0.08 0.68 0.23 0.00 0.00 176.35 177.29 3lrs s VAL 5 N 0.10 1.30 0.44 -1.59 -7.23 -1.00 -4.09 120.40 108.33 3lrs s VAL 5 Ca -0.03 -0.67 -0.22 0.00 -1.81 0.00 0.00 61.98 59.24 3lrs s VAL 5 Cb -0.10 -1.39 -0.09 0.00 0.56 0.00 0.00 36.38 35.37 3lrs s VAL 5 CO 0.01 0.22 1.06 -1.61 -0.31 0.00 0.00 175.10 174.48 3lrs s GLU 6 N 1.56 3.97 0.03 4.82 8.01 -1.26 -1.78 118.70 134.05 3lrs s GLU 6 Ca 0.02 1.48 -0.24 0.00 0.01 0.00 0.00 54.97 56.24 3lrs s GLU 6 Cb -0.15 -2.35 0.05 0.00 -4.31 0.00 0.00 34.13 27.38 3lrs s GLU 6 CO -0.08 -0.30 0.54 -1.54 0.01 0.00 0.00 175.26 173.89 3lrs s SER 7 N -1.70 -0.48 0.00 -0.19 1.04 0.71 -4.67 113.70 108.41 3lrs s SER 7 Ca 0.62 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.34 3lrs s SER 7 Cb -0.21 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3lrs s SER 7 CO 0.25 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3lrs n GLY 8 N 0.55 1.29 0.38 7.32 0.00 -1.26 -0.44 105.19 113.03 3lrs n GLY 8 Ca -0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 3lrs n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lrs n GLY 9 N 0.00 -3.08 0.00 -0.02 0.00 -1.26 -4.78 105.19 96.04 3lrs n GLY 9 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3lrs n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lrs n GLY 10 N 0.57 0.79 3.70 -0.02 0.00 0.13 -4.97 105.19 105.38 3lrs n GLY 10 Ca 0.02 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 3lrs n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lrs s VAL 11 N -1.22 5.06 0.25 1.61 1.01 -1.26 -1.81 120.40 124.04 3lrs s VAL 11 Ca 0.00 1.29 0.05 0.00 0.00 0.00 0.00 61.98 63.32 3lrs s VAL 11 Cb 0.00 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 3lrs s VAL 11 CO 0.00 0.22 -0.02 0.68 0.00 0.00 0.00 175.10 175.99 3lrs s VAL 12 N 1.08 1.25 -0.12 2.92 -7.23 -0.22 -4.97 120.40 113.12 3lrs s VAL 12 Ca 0.33 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 58.38 3lrs s VAL 12 Cb -0.17 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 3lrs s VAL 12 CO 0.14 -0.30 0.12 -1.10 -0.31 0.00 0.00 175.10 173.65 3lrs s GLN 13 N -3.82 3.38 0.63 4.82 -1.52 -1.26 -1.08 119.66 120.80 3lrs s GLN 13 Ca 0.29 -0.18 -0.18 0.00 -1.95 0.00 0.00 55.36 53.35 3lrs s GLN 13 Cb 0.05 -3.13 -0.05 0.00 -0.22 0.00 0.00 33.01 29.66 3lrs s GLN 13 CO 0.10 0.76 0.78 -2.30 -0.25 0.00 0.00 175.29 174.38 3lrs n PRO 14 N 2.04 0.65 0.00 2.91 -0.02 -1.26 -1.48 135.00 137.83 3lrs n PRO 14 Ca -0.20 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3lrs n PRO 14 Cb 0.55 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3lrs n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lrs n GLY 15 N 1.46 2.74 3.77 -1.23 0.00 0.18 -4.85 105.19 107.28 3lrs n GLY 15 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3lrs n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3lrs s GLY 16 N -0.48 1.63 0.42 -0.02 0.00 -0.55 -3.45 107.32 104.87 3lrs s GLY 16 Ca 0.00 -0.81 0.07 0.00 0.00 0.00 0.00 44.72 43.98 3lrs s GLY 16 CO 0.00 -0.11 0.21 -1.35 0.00 0.00 0.00 173.10 171.85 3lrs s SER 17 N -4.22 4.51 -0.07 1.64 1.04 -1.26 -1.74 113.70 113.61 3lrs s SER 17 Ca 0.68 -1.05 -0.31 0.00 0.48 0.00 0.00 55.95 55.76 3lrs s SER 17 Cb -0.11 -0.44 0.08 0.00 0.10 0.00 0.00 66.02 65.65 3lrs s SER 17 CO 0.54 -0.59 0.73 -0.22 0.98 0.00 0.00 173.24 174.69 3lrs s LEU 18 N -3.95 -0.61 -0.18 2.42 2.96 -1.26 -4.95 118.68 113.11 3lrs s LEU 18 Ca 0.41 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 54.99 3lrs s LEU 18 Cb 0.03 2.42 0.04 0.00 0.50 0.00 0.00 46.19 49.18 3lrs s LEU 18 CO 0.23 -0.56 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.01 3lrs s ARG 19 N -1.18 1.84 0.42 1.98 3.52 -1.26 -1.54 118.95 122.73 3lrs s ARG 19 Ca -0.09 -0.71 -0.06 0.00 -0.13 0.00 0.00 55.73 54.73 3lrs s ARG 19 Cb -0.00 -2.26 -0.05 0.00 -1.56 0.00 0.00 34.95 31.09 3lrs s ARG 19 CO 0.09 -0.42 0.73 -0.51 -0.81 0.00 0.00 175.30 174.38 3lrs s LEU 20 N 1.48 3.78 0.02 -0.88 1.43 -0.18 -4.74 118.68 119.60 3lrs s LEU 20 Ca -0.00 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 3lrs s LEU 20 Cb -0.16 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 3lrs s LEU 20 CO -0.08 -0.45 -0.07 -0.44 0.23 0.00 0.00 176.35 175.54 3lrs s SER 21 N -3.68 0.81 -0.12 2.29 0.01 0.42 -1.68 113.70 111.75 3lrs s SER 21 Ca 0.47 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.38 3lrs s SER 21 Cb -0.10 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.13 3lrs s SER 21 CO 0.38 -0.09 -0.20 0.00 0.41 0.00 0.00 173.24 173.74 3lrs s LEU 23 N 0.81 3.65 0.42 0.00 0.20 -0.74 -0.81 118.68 122.21 3lrs s LEU 23 Ca -0.09 -0.29 0.03 0.00 0.69 0.00 0.00 54.13 54.47 3lrs s LEU 23 Cb -0.16 -1.95 -0.00 0.00 -0.43 0.00 0.00 46.19 43.65 3lrs s LEU 23 CO -0.00 -0.08 0.61 0.00 -0.29 0.00 0.00 176.35 176.58 3lrs s ALA 24 N 1.62 3.96 -0.22 5.97 0.00 -0.42 -2.38 121.76 130.28 3lrs s ALA 24 Ca 0.06 -1.24 -0.36 0.00 0.00 0.00 0.00 51.96 50.41 3lrs s ALA 24 Cb -0.16 -1.96 0.15 0.00 0.00 0.00 0.00 23.12 21.15 3lrs s ALA 24 CO 0.05 -0.29 1.26 -1.54 0.00 0.00 0.00 175.76 175.24 3lrs s SER 25 N -4.23 -0.10 0.00 0.00 1.04 -0.84 -4.93 113.70 104.65 3lrs s SER 25 Ca 0.48 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.92 3lrs s SER 25 Cb -0.10 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3lrs s SER 25 CO 0.35 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.02 3lrs n GLY 26 N -0.03 0.66 3.51 7.32 0.00 -1.26 -1.31 105.19 114.07 3lrs n GLY 26 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3lrs n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3lrs s PHE 27 N -2.29 -0.37 -0.73 1.61 -0.71 -1.26 -3.82 117.98 110.41 3lrs s PHE 27 Ca 0.00 0.31 -0.26 0.00 -1.04 0.00 0.00 56.93 55.94 3lrs s PHE 27 Cb 0.00 0.52 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 3lrs s PHE 27 CO 0.00 -0.54 1.78 0.95 -1.34 0.00 0.00 175.22 176.06 3lrs s THR 28 N -2.85 3.47 0.12 -4.49 -4.23 -1.26 -4.88 115.64 101.51 3lrs s THR 28 Ca 0.03 0.02 -0.28 0.00 -1.18 0.00 0.00 61.69 60.28 3lrs s THR 28 Cb -0.01 -4.17 -0.08 0.00 1.34 0.00 0.00 72.50 69.59 3lrs s THR 28 CO -0.07 -1.12 1.61 0.15 -0.54 0.00 0.00 174.62 174.65 3lrs h PHE 29 N 13.00 -0.90 0.00 3.99 3.57 -1.96 -2.58 116.94 132.06 3lrs h PHE 29 Ca -0.14 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.38 3lrs h PHE 29 Cb 1.10 0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.22 3lrs h PHE 29 CO 1.12 -0.43 0.01 -2.39 -2.23 0.00 0.00 178.31 174.38 3lrs n HIS 30 N -5.42 0.00 1.02 0.41 1.44 -1.26 -1.66 115.22 109.76 3lrs n HIS 30 Ca -0.06 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.76 3lrs n HIS 30 Cb 0.33 -0.08 0.02 0.00 0.12 0.00 0.00 29.99 30.38 3lrs n HIS 30 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3lrs n LYS 31 N -1.05 1.04 -4.84 -1.40 5.02 -0.97 -4.41 118.16 111.55 3lrs n LYS 31 Ca 0.00 -0.84 -0.27 0.00 -2.02 0.00 0.00 58.31 55.17 3lrs n LYS 31 Cb 0.01 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.39 3lrs n LYS 31 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3lrs s TYR 32 N -2.54 1.99 0.75 2.13 2.02 -0.66 -4.80 117.35 116.23 3lrs s TYR 32 Ca 0.18 -0.38 -0.13 0.00 -0.37 0.00 0.00 57.07 56.37 3lrs s TYR 32 Cb 0.18 -1.21 0.05 0.00 -0.40 0.00 0.00 41.96 40.58 3lrs s TYR 32 CO 0.60 0.07 1.12 0.20 -1.57 0.00 0.00 175.55 175.97 3lrs s GLY 33 N -1.01 1.94 -0.00 0.71 0.00 -1.26 -3.81 107.32 103.88 3lrs s GLY 33 Ca 0.09 0.51 0.02 0.00 0.00 0.00 0.00 44.72 45.33 3lrs s GLY 33 CO 0.01 0.88 -0.06 1.06 0.00 0.00 0.00 173.10 174.99 3lrs s MET 34 N -4.45 0.47 0.34 2.90 1.00 -0.45 -1.06 119.30 118.07 3lrs s MET 34 Ca 0.66 -0.21 0.09 0.00 0.00 0.00 0.00 55.69 56.23 3lrs s MET 34 Cb -0.21 -0.46 -0.05 0.00 0.00 0.00 0.00 34.83 34.11 3lrs s MET 34 CO 0.50 0.12 0.09 -1.01 0.00 0.00 0.00 175.02 174.72 3lrs s HIS 35 N -0.12 2.63 -0.04 -0.03 3.76 0.93 -1.32 115.29 121.10 3lrs s HIS 35 Ca 0.02 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.56 3lrs s HIS 35 Cb -0.02 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 32.06 3lrs s HIS 35 CO -0.00 0.40 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.53 3lrs s TRP 36 N -2.47 2.61 -0.03 1.40 0.52 -0.28 -1.60 118.94 119.09 3lrs s TRP 36 Ca 0.36 -0.23 0.02 0.00 0.02 0.00 0.00 56.10 56.28 3lrs s TRP 36 Cb -0.01 -1.59 0.00 0.00 -1.15 0.00 0.00 33.47 30.72 3lrs s TRP 36 CO 0.21 0.13 -0.09 0.08 0.02 0.00 0.00 176.95 177.30 3lrs s VAL 37 N -0.71 0.81 0.34 4.03 1.01 -0.08 -1.82 120.40 123.99 3lrs s VAL 37 Ca 0.11 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 61.81 3lrs s VAL 37 Cb -0.10 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 3lrs s VAL 37 CO 0.00 0.26 0.05 0.00 0.00 0.00 0.00 175.10 175.41 3lrs s ARG 38 N 0.26 2.16 -0.28 2.72 1.70 -0.01 -0.14 118.95 125.36 3lrs s ARG 38 Ca -0.04 -1.70 0.02 0.00 -0.47 0.00 0.00 55.73 53.53 3lrs s ARG 38 Cb -0.09 -1.99 0.16 0.00 -0.57 0.00 0.00 34.95 32.46 3lrs s ARG 38 CO 0.01 0.12 0.43 -1.14 -1.08 0.00 0.00 175.30 173.64 3lrs s GLN 39 N -3.76 0.43 0.90 3.89 0.74 -0.48 -1.02 119.66 120.36 3lrs s GLN 39 Ca 0.36 0.26 -0.11 0.00 0.05 0.00 0.00 55.36 55.92 3lrs s GLN 39 Cb -0.00 -0.24 0.13 0.00 1.10 0.00 0.00 33.01 34.00 3lrs s GLN 39 CO 0.20 -0.97 1.09 0.00 -0.55 0.00 0.00 175.29 175.06 3lrs n ALA 40 N 5.36 -0.86 -1.62 1.58 0.00 -1.26 -1.09 120.51 122.63 3lrs n ALA 40 Ca 0.00 -0.53 -0.45 0.00 0.00 0.00 0.00 53.44 52.46 3lrs n ALA 40 Cb 0.50 -2.17 -0.04 0.00 0.00 0.00 0.00 19.45 17.74 3lrs n ALA 40 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3lrs n PRO 41 N -3.89 2.14 -1.17 0.00 -0.02 -1.26 -2.07 135.00 128.73 3lrs n PRO 41 Ca 0.12 0.71 -0.06 0.00 -2.02 0.00 0.00 63.50 62.25 3lrs n PRO 41 Cb 0.52 -2.91 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 3lrs n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lrs n GLY 42 N 5.19 0.80 0.25 -1.23 0.00 -1.26 -5.02 105.19 103.93 3lrs n GLY 42 Ca 0.27 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 3lrs n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3lrs n LYS 43 N -2.17 1.66 -2.20 1.61 4.76 -0.88 -5.14 118.16 115.80 3lrs n LYS 43 Ca -0.06 -0.24 -0.27 0.00 -2.87 0.00 0.00 58.31 54.87 3lrs n LYS 43 Cb 0.28 0.05 0.12 0.00 -1.84 0.00 0.00 35.03 33.63 3lrs n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3lrs s GLY 44 N -1.45 1.73 0.61 0.72 0.00 -1.26 -4.73 107.32 102.94 3lrs s GLY 44 Ca 0.01 -1.21 -0.17 0.00 0.00 0.00 0.00 44.72 43.35 3lrs s GLY 44 CO 0.01 -0.64 1.12 1.08 0.00 0.00 0.00 173.10 174.67 3lrs s LEU 45 N -5.44 3.56 -0.20 0.66 1.43 -1.26 -4.38 118.68 113.04 3lrs s LEU 45 Ca 0.66 2.09 -0.08 0.00 -1.03 0.00 0.00 54.13 55.77 3lrs s LEU 45 Cb -0.07 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.67 3lrs s LEU 45 CO 0.47 -1.45 0.45 -0.70 0.23 0.00 0.00 176.35 175.35 3lrs s GLU 46 N -3.71 0.39 0.26 1.70 2.12 -0.19 -5.00 118.70 114.27 3lrs s GLU 46 Ca 0.70 1.02 -0.30 0.00 0.36 0.00 0.00 54.97 56.75 3lrs s GLU 46 Cb -0.22 0.27 -0.09 0.00 0.26 0.00 0.00 34.13 34.34 3lrs s GLU 46 CO 0.35 -0.22 1.07 -0.46 -0.54 0.00 0.00 175.26 175.46 3lrs s TRP 47 N 2.25 3.66 -0.02 5.30 -0.00 -1.26 -0.83 118.94 128.04 3lrs s TRP 47 Ca -0.05 1.73 -0.03 0.00 -0.00 0.00 0.00 56.10 57.75 3lrs s TRP 47 Cb -0.11 -3.23 -0.02 0.00 -0.00 0.00 0.00 33.47 30.11 3lrs s TRP 47 CO -0.14 -0.37 -0.08 0.28 -0.00 0.00 0.00 176.95 176.64 3lrs n VAL 48 N 1.35 0.71 -3.47 5.86 0.31 -0.75 -4.73 118.33 117.60 3lrs n VAL 48 Ca -0.01 0.08 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 3lrs n VAL 48 Cb 0.45 -1.65 -0.03 0.00 -0.91 0.00 0.00 33.84 31.70 3lrs n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lrs s ALA 49 N -2.15 -1.69 0.00 3.52 0.00 -1.15 -1.44 121.76 118.86 3lrs s ALA 49 Ca -0.08 0.85 0.04 0.00 0.00 0.00 0.00 51.96 52.78 3lrs s ALA 49 Cb 0.02 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 3lrs s ALA 49 CO 0.10 -0.62 -0.13 -1.17 0.00 0.00 0.00 175.76 173.95 3lrs s LEU 50 N -2.16 2.06 0.01 0.00 2.96 -0.23 -1.13 118.68 120.21 3lrs s LEU 50 Ca -0.03 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3lrs s LEU 50 Cb -0.01 -0.63 -0.01 0.00 0.50 0.00 0.00 46.19 46.04 3lrs s LEU 50 CO -0.05 0.12 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.48 3lrs s ILE 51 N -0.45 0.91 0.89 6.68 2.07 -0.43 -0.91 121.20 129.96 3lrs s ILE 51 Ca 0.04 -0.69 -0.12 0.00 -1.41 0.00 0.00 60.65 58.46 3lrs s ILE 51 Cb -0.06 -0.80 0.12 0.00 0.13 0.00 0.00 42.46 41.85 3lrs s ILE 51 CO -0.00 0.11 1.12 -0.94 -1.91 0.00 0.00 174.94 173.32 3lrs s SER 52 N -0.66 3.72 0.25 4.50 1.04 -0.23 -1.34 113.70 120.98 3lrs s SER 52 Ca 0.02 1.06 -0.04 0.00 0.48 0.00 0.00 55.95 57.47 3lrs s SER 52 Cb -0.06 -1.68 0.50 0.00 0.10 0.00 0.00 66.02 64.88 3lrs s SER 52 CO 0.00 -2.43 1.66 -2.24 0.98 0.00 0.00 173.24 171.22 3lrs h ASP 52 N -1.41 -0.09 0.03 7.02 3.04 -1.85 -1.55 116.42 121.62 3lrs h ASP 52 Ca -0.50 0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 3lrs h ASP 52 Cb 1.32 0.25 0.00 0.00 -1.04 0.00 0.00 39.33 39.86 3lrs h ASP 52 CO 0.61 -0.10 -0.10 -0.90 -2.04 0.00 0.00 179.24 176.71 3lrs n ASP 53 N -5.22 1.79 -0.14 4.15 5.68 -1.26 -4.68 116.55 116.87 3lrs n ASP 53 Ca 0.15 -1.49 -0.02 0.00 -0.50 0.00 0.00 54.79 52.94 3lrs n ASP 53 Cb 0.51 0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.55 3lrs n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3lrs n GLY 54 N 1.27 0.51 0.10 6.12 0.00 -0.59 -4.86 105.19 107.75 3lrs n GLY 54 Ca 0.15 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3lrs n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3lrs n MET 55 N -2.24 0.28 -4.15 1.61 2.81 -1.26 -4.83 117.12 109.34 3lrs n MET 55 Ca -0.02 -0.20 -0.28 0.00 -1.81 0.00 0.00 57.70 55.40 3lrs n MET 55 Cb 0.15 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 31.00 3lrs n MET 55 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3lrs s ARG 56 N -2.86 1.96 0.11 0.03 0.52 -1.26 -5.03 118.95 112.42 3lrs s ARG 56 Ca 0.13 -0.44 0.10 0.00 -0.52 0.00 0.00 55.73 55.00 3lrs s ARG 56 Cb 0.17 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 3lrs s ARG 56 CO 0.71 -0.18 -0.26 0.15 0.02 0.00 0.00 175.30 175.75 3lrs s LYS 57 N 1.35 1.55 -0.02 3.54 1.02 -1.26 -1.07 119.74 124.85 3lrs s LYS 57 Ca 0.00 -1.27 0.01 0.00 0.02 0.00 0.00 55.97 54.74 3lrs s LYS 57 Cb -0.14 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.24 3lrs s LYS 57 CO -0.06 0.47 -0.04 0.71 -0.92 0.00 0.00 175.35 175.51 3lrs s TYR 58 N -1.00 0.53 0.17 3.18 2.02 -0.09 -5.01 117.35 117.16 3lrs s TYR 58 Ca 0.14 -0.11 0.08 0.00 -0.37 0.00 0.00 57.07 56.81 3lrs s TYR 58 Cb -0.10 -0.45 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 3lrs s TYR 58 CO 0.05 -0.10 -0.16 -1.01 -1.57 0.00 0.00 175.55 172.76 3lrs s HIS 59 N 0.50 1.72 0.20 2.71 3.76 -1.26 -1.06 115.29 121.86 3lrs s HIS 59 Ca -0.06 -0.51 -0.30 0.00 -0.15 0.00 0.00 55.06 54.04 3lrs s HIS 59 Cb -0.09 -0.85 -0.08 0.00 1.11 0.00 0.00 32.58 32.67 3lrs s HIS 59 CO -0.00 0.31 1.24 0.45 -0.85 0.00 0.00 174.74 175.89 3lrs s SER 60 N -2.84 7.00 0.60 1.40 0.15 -0.52 -4.92 113.70 114.58 3lrs s SER 60 Ca 0.17 2.33 0.39 0.00 0.70 0.00 0.00 55.95 59.53 3lrs s SER 60 Cb -0.04 -2.61 1.91 0.00 -1.71 0.00 0.00 66.02 63.57 3lrs s SER 60 CO 0.06 -0.43 2.17 0.44 1.20 0.00 0.00 173.24 176.68 3lrs h ASP 61 N 5.14 0.00 -0.03 5.45 3.32 -1.95 -2.54 116.42 125.82 3lrs h ASP 61 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3lrs h ASP 61 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3lrs h ASP 61 CO 0.75 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.73 3lrs n SER 62 N -3.05 1.71 -0.00 6.45 3.41 -1.26 -2.98 113.62 117.90 3lrs n SER 62 Ca -0.01 -1.58 0.13 0.00 -0.26 0.00 0.00 58.87 57.15 3lrs n SER 62 Cb 0.18 -0.01 0.43 0.00 -0.26 0.00 0.00 64.21 64.55 3lrs n SER 62 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3lrs n MET 63 N 0.34 0.01 -2.05 4.33 2.81 -0.95 -4.95 117.12 116.66 3lrs n MET 63 Ca 0.18 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.90 3lrs n MET 63 Cb 0.39 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.36 3lrs n MET 63 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 3lrs n TRP 64 N -1.49 -0.79 -0.73 2.03 7.02 -1.16 -1.94 117.44 120.38 3lrs n TRP 64 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 3lrs n TRP 64 Cb 0.34 -3.28 0.00 0.00 -2.42 0.00 0.00 31.31 25.95 3lrs n TRP 64 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3lrs n GLY 65 N -0.68 0.67 0.08 6.99 0.00 -1.26 -4.92 105.19 106.06 3lrs n GLY 65 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 3lrs n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lrs n ARG 66 N -2.62 0.22 -4.96 1.61 1.74 -0.82 -4.79 116.66 107.03 3lrs n ARG 66 Ca 0.00 0.15 -0.32 0.00 -0.77 0.00 0.00 57.85 56.92 3lrs n ARG 66 Cb 0.00 -1.73 -0.14 0.00 -1.02 0.00 0.00 32.46 29.57 3lrs n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3lrs s VAL 67 N -3.09 2.70 -0.11 1.55 -7.23 -1.26 -4.29 120.40 108.67 3lrs s VAL 67 Ca 0.11 -0.94 -0.00 0.00 -1.81 0.00 0.00 61.98 59.33 3lrs s VAL 67 Cb 0.14 -2.04 0.02 0.00 0.56 0.00 0.00 36.38 35.06 3lrs s VAL 67 CO 0.61 0.53 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.96 3lrs s THR 68 N -0.74 1.01 0.19 5.32 2.01 -0.67 -4.98 115.64 117.78 3lrs s THR 68 Ca 0.12 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.78 3lrs s THR 68 Cb -0.10 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 3lrs s THR 68 CO 0.01 0.36 0.43 -0.51 -0.69 0.00 0.00 174.62 174.22 3lrs s ILE 69 N 1.62 5.12 0.30 1.82 2.07 -1.26 -1.47 121.20 129.41 3lrs s ILE 69 Ca 0.03 0.01 -0.20 0.00 -1.41 0.00 0.00 60.65 59.09 3lrs s ILE 69 Cb -0.13 -3.66 0.04 0.00 0.13 0.00 0.00 42.46 38.84 3lrs s ILE 69 CO -0.07 -0.07 0.78 -0.94 -1.91 0.00 0.00 174.94 172.73 3lrs s SER 70 N -2.68 -0.15 0.17 4.50 1.04 -0.98 -5.00 113.70 110.61 3lrs s SER 70 Ca 0.42 -0.78 -0.17 0.00 0.48 0.00 0.00 55.95 55.90 3lrs s SER 70 Cb -0.12 0.74 0.03 0.00 0.10 0.00 0.00 66.02 66.77 3lrs s SER 70 CO 0.26 -1.41 0.48 0.00 0.98 0.00 0.00 173.24 173.55 3lrs s ARG 71 N -3.21 1.28 -0.24 4.02 1.70 -1.26 -0.44 118.95 120.80 3lrs s ARG 71 Ca 0.13 -0.81 -0.01 0.00 -0.47 0.00 0.00 55.73 54.57 3lrs s ARG 71 Cb -0.05 0.50 0.07 0.00 -0.57 0.00 0.00 34.95 34.91 3lrs s ARG 71 CO 0.08 -0.53 0.04 0.34 -1.08 0.00 0.00 175.30 174.15 3lrs s ASP 72 N -2.85 3.48 0.26 -2.89 -1.08 0.19 -4.98 116.67 108.80 3lrs s ASP 72 Ca 0.07 -1.17 0.25 0.00 -0.52 0.00 0.00 52.55 51.18 3lrs s ASP 72 Cb 0.00 -0.80 0.93 0.00 -1.46 0.00 0.00 42.92 41.59 3lrs s ASP 72 CO -0.06 -0.33 1.75 0.78 0.52 0.00 0.00 175.17 177.83 3lrs h ASN 73 N 8.14 0.00 0.68 -0.34 2.35 -1.95 -1.90 115.58 122.56 3lrs h ASN 73 Ca -0.16 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.44 3lrs h ASN 73 Cb 1.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 3lrs h ASN 73 CO 0.40 0.00 -0.73 0.77 -1.65 0.00 0.00 177.43 176.22 3lrs h SER 74 N 0.00 0.04 -0.22 5.81 4.64 -1.95 -3.19 113.55 118.68 3lrs h SER 74 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3lrs h SER 74 Cb 0.52 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3lrs h SER 74 CO 0.00 0.75 0.00 0.29 -0.87 0.00 0.00 176.83 177.00 3lrs n LYS 75 N -3.69 2.41 -4.03 4.77 5.02 -0.99 -4.96 118.16 116.69 3lrs n LYS 75 Ca -0.01 -2.10 -0.27 0.00 -2.02 0.00 0.00 58.31 53.91 3lrs n LYS 75 Cb 0.71 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 3lrs n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3lrs n ASN 76 N 1.40 -0.64 -4.01 4.39 4.13 -0.90 -4.81 115.26 114.82 3lrs n ASN 76 Ca 0.17 -1.03 -0.18 0.00 1.68 0.00 0.00 54.58 55.22 3lrs n ASN 76 Cb 0.60 -2.88 -0.15 0.00 -1.54 0.00 0.00 39.78 35.82 3lrs n ASN 76 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3lrs s THR 77 N -3.90 0.65 0.07 3.41 2.01 -0.77 -1.31 115.64 115.81 3lrs s THR 77 Ca 0.11 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 61.81 3lrs s THR 77 Cb -0.06 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 3lrs s THR 77 CO 0.90 0.19 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.76 3lrs s LEU 78 N -0.17 3.31 0.09 4.42 2.96 0.01 -0.64 118.68 128.66 3lrs s LEU 78 Ca 0.03 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 3lrs s LEU 78 Cb -0.03 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 3lrs s LEU 78 CO -0.00 0.20 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.80 3lrs s TYR 79 N -1.21 1.18 -0.04 5.38 2.02 0.42 -0.33 117.35 124.76 3lrs s TYR 79 Ca 0.23 -0.55 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3lrs s TYR 79 Cb -0.11 -0.64 0.02 0.00 -0.40 0.00 0.00 41.96 40.82 3lrs s TYR 79 CO 0.15 0.05 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.96 3lrs s LEU 80 N -2.14 1.43 0.03 -1.29 2.96 -0.68 -2.33 118.68 116.66 3lrs s LEU 80 Ca 0.03 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 53.90 3lrs s LEU 80 Cb -0.06 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.18 3lrs s LEU 80 CO 0.02 -0.04 -0.26 -1.58 -1.32 0.00 0.00 176.35 173.17 3lrs s GLN 81 N 0.75 1.87 0.00 1.98 2.00 -0.54 -1.01 119.66 124.72 3lrs s GLN 81 Ca -0.10 -1.07 0.00 0.00 -2.00 0.00 0.00 55.36 52.20 3lrs s GLN 81 Cb -0.13 -1.99 0.00 0.00 0.80 0.00 0.00 33.01 31.69 3lrs s GLN 81 CO 0.00 0.52 0.00 1.19 -0.50 0.00 0.00 175.29 176.50 3lrs n PHE 82 N 1.94 -0.23 -3.67 1.67 3.72 -0.59 -1.66 117.46 118.63 3lrs n PHE 82 Ca -0.17 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.22 3lrs n PHE 82 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3lrs n PHE 82 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3lrs n SER 82 N -0.36 -0.07 -4.69 4.37 7.64 -1.21 -4.04 113.62 115.26 3lrs n SER 82 Ca 0.00 -0.03 -0.35 0.00 1.01 0.00 0.00 58.87 59.50 3lrs n SER 82 Cb 0.00 -0.03 0.10 0.00 -1.01 0.00 0.00 64.21 63.27 3lrs n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3lrs n LEU 82 N -1.01 4.88 -4.08 -3.43 4.77 -0.71 -4.66 117.00 112.75 3lrs n LEU 82 Ca -0.00 0.69 -0.08 0.00 -0.03 0.00 0.00 56.01 56.59 3lrs n LEU 82 Cb 0.01 -1.51 -0.10 0.00 -2.33 0.00 0.00 43.42 39.49 3lrs n LEU 82 CO 0.01 -1.49 -0.37 -0.54 -1.33 0.00 0.00 177.39 173.68 3lrs s LYS 83 N -3.71 0.59 0.40 3.23 1.02 -1.26 -0.64 119.74 119.37 3lrs s LYS 83 Ca 0.77 -1.12 0.08 0.00 0.02 0.00 0.00 55.97 55.73 3lrs s LYS 83 Cb -0.33 0.10 0.86 0.00 -0.52 0.00 0.00 37.83 37.93 3lrs s LYS 83 CO 0.47 -0.08 2.00 0.28 -0.92 0.00 0.00 175.35 177.10 3lrs h VAL 84 N 3.43 1.01 0.00 3.17 2.07 -1.89 -0.57 116.25 123.47 3lrs h VAL 84 Ca -0.34 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3lrs h VAL 84 Cb 1.16 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3lrs h VAL 84 CO 0.60 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.68 3lrs n GLU 85 N -4.47 0.65 0.06 1.57 4.71 -1.26 -1.48 120.64 120.41 3lrs n GLU 85 Ca 0.08 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.35 3lrs n GLU 85 Cb 0.21 -1.29 0.09 0.00 -1.01 0.00 0.00 31.44 29.44 3lrs n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3lrs n ASP 86 N -0.79 0.68 -4.67 1.62 8.00 -0.22 -4.91 116.55 116.25 3lrs n ASP 86 Ca 0.09 0.05 -0.55 0.00 0.71 0.00 0.00 54.79 55.09 3lrs n ASP 86 Cb 0.04 0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 3lrs n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3lrs n THR 87 N -2.16 0.22 -3.60 -3.53 -1.04 -0.55 -4.90 114.28 98.73 3lrs n THR 87 Ca 0.02 -0.04 0.01 0.00 -2.04 0.00 0.00 64.05 62.00 3lrs n THR 87 Cb 0.46 -1.16 -0.01 0.00 -1.82 0.00 0.00 70.33 67.80 3lrs n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lrs s ALA 88 N 2.54 -2.34 0.29 2.41 0.00 -0.77 -4.40 121.76 119.49 3lrs s ALA 88 Ca 0.93 1.33 -0.15 0.00 0.00 0.00 0.00 51.96 54.07 3lrs s ALA 88 Cb -0.99 -0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.03 3lrs s ALA 88 CO 0.58 -0.84 0.71 1.41 0.00 0.00 0.00 175.76 177.62 3lrs s MET 89 N -2.10 4.01 -0.17 0.00 -2.45 -0.25 -1.43 119.30 116.91 3lrs s MET 89 Ca 0.13 0.65 0.01 0.00 -1.25 0.00 0.00 55.69 55.23 3lrs s MET 89 Cb 0.04 -2.53 0.03 0.00 1.25 0.00 0.00 34.83 33.62 3lrs s MET 89 CO -0.05 0.21 -0.13 -0.06 1.05 0.00 0.00 175.02 176.05 3lrs s PHE 90 N -1.89 2.32 -0.11 4.11 0.08 0.43 -1.38 117.98 121.54 3lrs s PHE 90 Ca 0.51 -1.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.12 3lrs s PHE 90 Cb -0.11 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 3lrs s PHE 90 CO 0.18 -0.71 0.05 -0.06 -0.10 0.00 0.00 175.22 174.58 3lrs s PHE 91 N 1.43 3.29 0.00 0.36 0.08 0.81 -1.48 117.98 122.47 3lrs s PHE 91 Ca 0.03 0.25 -0.08 0.00 0.12 0.00 0.00 56.93 57.25 3lrs s PHE 91 Cb -0.14 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 3lrs s PHE 91 CO -0.10 0.48 0.29 0.00 -0.10 0.00 0.00 175.22 175.79 3lrs s ALA 93 N -1.26 -0.78 0.08 0.00 0.00 -0.62 -2.39 121.76 116.79 3lrs s ALA 93 Ca 0.26 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 3lrs s ALA 93 Cb -0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.90 3lrs s ALA 93 CO 0.15 -0.24 0.46 0.50 0.00 0.00 0.00 175.76 176.63 3lrs s ARG 94 N -1.09 3.91 -0.55 0.00 3.52 -0.13 -0.05 118.95 124.56 3lrs s ARG 94 Ca -0.11 0.39 -0.22 0.00 -0.13 0.00 0.00 55.73 55.65 3lrs s ARG 94 Cb -0.05 -3.06 0.05 0.00 -1.56 0.00 0.00 34.95 30.34 3lrs s ARG 94 CO 0.04 0.58 0.83 -2.00 -0.81 0.00 0.00 175.30 173.93 3lrs s GLU 95 N -1.64 3.22 0.25 5.12 2.56 -0.22 -2.52 118.70 125.47 3lrs s GLU 95 Ca 0.32 -0.60 -0.28 0.00 0.00 0.00 0.00 54.97 54.40 3lrs s GLU 95 Cb -0.15 -4.10 -0.15 0.00 2.00 0.00 0.00 34.13 31.72 3lrs s GLU 95 CO 0.17 -1.45 0.85 0.00 -0.56 0.00 0.00 175.26 174.28 3lrs n ALA 96 N 7.01 -1.20 -3.65 6.30 0.00 -0.57 -4.23 120.51 124.17 3lrs n ALA 96 Ca -0.02 0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.78 3lrs n ALA 96 Cb 0.46 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 3lrs n ALA 96 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3lrs s GLY 97 N -0.67 -0.33 0.21 0.00 0.00 -1.26 -0.19 107.32 105.07 3lrs s GLY 97 Ca 0.62 0.55 -0.23 0.00 0.00 0.00 0.00 44.72 45.66 3lrs s GLY 97 CO 0.58 0.15 0.91 -0.32 0.00 0.00 0.00 173.10 174.42 3lrs s GLY 98 N -2.75 -0.08 0.00 0.20 0.00 -1.26 -4.94 107.32 98.49 3lrs s GLY 98 Ca 0.10 -0.14 -0.11 0.00 0.00 0.00 0.00 44.72 44.56 3lrs s GLY 98 CO -0.03 0.35 0.89 -1.05 0.00 0.00 0.00 173.10 173.26 3lrs n PRO 99 N -0.52 0.00 0.00 2.90 -0.02 -1.26 -4.76 135.00 131.34 3lrs n PRO 99 Ca -0.05 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 3lrs n PRO 99 Cb 0.60 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 3lrs n PRO 99 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3lrs n TYR 100 N 5.48 0.00 -2.77 6.00 4.01 -1.26 -5.22 117.16 123.40 3lrs n TYR 100 Ca 0.17 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.50 3lrs n TYR 100 Cb 0.30 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.29 3lrs n TYR 100 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3lrs s ASN 100 N 0.00 7.37 0.00 7.72 -0.87 -1.26 -4.35 114.94 123.56 3lrs s ASN 100 Ca 0.00 1.65 0.22 0.00 -1.57 0.00 0.00 52.86 53.17 3lrs s ASN 100 Cb 0.00 -2.55 -0.01 0.00 -0.02 0.00 0.00 41.25 38.67 3lrs s ASN 100 CO 0.00 -0.14 1.07 -1.22 -2.57 0.00 0.00 177.10 174.24 3lrs n TYR 100 N 3.33 0.00 -2.20 2.20 0.53 0.73 -4.98 117.16 116.78 3lrs n TYR 100 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.91 3lrs n TYR 100 Cb 0.50 -0.02 0.00 0.00 -1.03 0.00 0.00 39.34 38.79 3lrs n TYR 100 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 3lrs n HIS 100 N -0.72 0.00 -3.51 -0.72 8.25 -1.26 -5.01 115.22 112.25 3lrs n HIS 100 Ca 0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.42 3lrs n HIS 100 Cb 0.40 -0.90 -0.02 0.00 1.12 0.00 0.00 29.99 30.59 3lrs n HIS 100 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3lrs s TYR 100 N -2.82 -0.46 -0.40 4.41 -0.85 -1.26 -5.06 117.35 110.91 3lrs s TYR 100 Ca 0.00 0.20 -0.14 0.00 -0.52 0.00 0.00 57.07 56.61 3lrs s TYR 100 Cb 0.00 0.59 0.02 0.00 0.38 0.00 0.00 41.96 42.95 3lrs s TYR 100 CO 0.00 -0.93 0.29 -1.64 -1.52 0.00 0.00 175.55 171.75 3lrs s MET 100 N -3.78 2.99 0.00 -3.49 -1.94 -1.26 -1.51 119.30 110.31 3lrs s MET 100 Ca 0.03 -1.00 0.20 0.00 -1.71 0.00 0.00 55.69 53.21 3lrs s MET 100 Cb -0.02 -3.95 -0.11 0.00 2.01 0.00 0.00 34.83 32.77 3lrs s MET 100 CO -0.09 -0.73 0.92 -0.40 -0.01 0.00 0.00 175.02 174.72 3lrs n ASP 101 N 5.14 1.43 -3.78 3.03 5.75 -1.05 -4.89 116.55 122.18 3lrs n ASP 101 Ca -0.11 -1.22 -0.17 0.00 -0.01 0.00 0.00 54.79 53.28 3lrs n ASP 101 Cb 0.47 0.73 -0.16 0.00 -1.03 0.00 0.00 41.12 41.13 3lrs n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3lrs s VAL 102 N -2.56 0.07 0.06 2.12 1.01 -1.26 -4.98 120.40 114.85 3lrs s VAL 102 Ca 0.12 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.35 3lrs s VAL 102 Cb 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 3lrs s VAL 102 CO 0.66 0.14 -0.17 0.26 0.00 0.00 0.00 175.10 175.99 3lrs s TRP 103 N 1.28 1.46 0.50 5.22 0.52 -1.26 -0.96 118.94 125.69 3lrs s TRP 103 Ca -0.06 -0.39 -0.01 0.00 0.02 0.00 0.00 56.10 55.66 3lrs s TRP 103 Cb -0.13 -0.85 0.00 0.00 -1.15 0.00 0.00 33.47 31.35 3lrs s TRP 103 CO -0.03 0.08 0.74 0.20 0.02 0.00 0.00 176.95 177.96 3lrs s GLY 104 N -1.39 1.61 -0.54 0.98 0.00 -1.00 -4.57 107.32 102.40 3lrs s GLY 104 Ca 0.03 -1.01 -0.25 0.00 0.00 0.00 0.00 44.72 43.49 3lrs s GLY 104 CO 0.02 -0.80 0.99 1.25 0.00 0.00 0.00 173.10 174.56 3lrs s LYS 105 N -4.68 3.40 1.25 2.90 2.47 -1.26 -4.72 119.74 119.10 3lrs s LYS 105 Ca 0.51 -0.08 -0.19 0.00 -1.56 0.00 0.00 55.97 54.65 3lrs s LYS 105 Cb -0.10 -4.02 0.27 0.00 -1.46 0.00 0.00 37.83 32.52 3lrs s LYS 105 CO 0.40 -1.48 0.63 0.41 0.16 0.00 0.00 175.35 175.46 3lrs n GLY 106 N 5.07 -3.02 3.61 5.54 0.00 -1.26 -4.47 105.19 110.67 3lrs n GLY 106 Ca 0.04 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 3lrs n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3lrs s THR 107 N -2.16 3.90 -0.10 2.61 -1.32 -0.55 -4.82 115.64 113.20 3lrs s THR 107 Ca 0.57 -0.41 -0.16 0.00 -1.21 0.00 0.00 61.69 60.48 3lrs s THR 107 Cb -0.13 -2.61 -0.05 0.00 -1.51 0.00 0.00 72.50 68.21 3lrs s THR 107 CO 0.53 0.60 0.41 0.42 -2.21 0.00 0.00 174.62 174.37 3lrs s THR 108 N -0.84 5.17 -0.21 5.08 -4.23 -1.26 -0.43 115.64 118.92 3lrs s THR 108 Ca 0.13 0.83 -0.03 0.00 -1.18 0.00 0.00 61.69 61.44 3lrs s THR 108 Cb -0.11 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 69.99 3lrs s THR 108 CO 0.02 0.41 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.74 3lrs s VAL 109 N 0.13 3.04 -0.30 2.29 1.01 -0.52 -0.70 120.40 125.36 3lrs s VAL 109 Ca 0.23 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3lrs s VAL 109 Cb -0.15 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.89 3lrs s VAL 109 CO 0.10 0.43 0.02 -0.89 0.00 0.00 0.00 175.10 174.76 3lrs s THR 110 N 1.43 3.23 -0.43 3.92 2.01 -0.75 -1.85 115.64 123.20 3lrs s THR 110 Ca 0.05 -1.21 -0.17 0.00 0.31 0.00 0.00 61.69 60.67 3lrs s THR 110 Cb -0.14 -2.80 0.03 0.00 0.01 0.00 0.00 72.50 69.59 3lrs s THR 110 CO -0.06 -0.06 0.42 -0.69 -0.69 0.00 0.00 174.62 173.54 3lrs s VAL 111 N 1.32 5.12 -0.09 3.82 1.01 -1.26 -1.06 120.40 129.26 3lrs s VAL 111 Ca -0.03 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 3lrs s VAL 111 Cb -0.19 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.19 3lrs s VAL 111 CO -0.00 -0.43 0.37 -0.55 0.00 0.00 0.00 175.10 174.48 3lrs s SER 112 N 1.87 -0.33 0.00 3.32 0.15 -0.24 -4.37 113.70 114.10 3lrs s SER 112 Ca 0.10 0.49 0.16 0.00 0.70 0.00 0.00 55.95 57.41 3lrs s SER 112 Cb -0.18 0.58 0.54 0.00 -1.71 0.00 0.00 66.02 65.25 3lrs s SER 112 CO 0.12 -0.28 1.41 -1.54 1.20 0.00 0.00 173.24 174.15 3lrs n SER 113 N 2.14 1.83 -4.92 5.45 3.41 -1.26 -4.33 113.62 115.93 3lrs n SER 113 Ca -0.17 -1.85 -0.28 0.00 -0.26 0.00 0.00 58.87 56.31 3lrs n SER 113 Cb 0.57 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 3lrs n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lrs s ALA 114 N -1.65 3.82 0.00 7.33 0.00 -1.26 -5.05 121.76 124.95 3lrs s ALA 114 Ca 0.29 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3lrs s ALA 114 Cb 0.15 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.26 3lrs s ALA 114 CO 0.22 0.45 0.00 -1.13 0.00 0.00 0.00 175.76 175.30 3lrs n SER 115 N -0.59 0.00 -3.82 0.00 3.41 -1.26 -4.98 113.62 106.38 3lrs n SER 115 Ca -0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.27 3lrs n SER 115 Cb 0.54 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 3lrs n SER 115 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3lrs s THR 116 N 0.65 1.60 -0.27 6.66 2.01 -1.26 -4.38 115.64 120.66 3lrs s THR 116 Ca 0.00 -2.27 -0.13 0.00 0.31 0.00 0.00 61.69 59.60 3lrs s THR 116 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 3lrs s THR 116 CO 0.00 -0.75 0.28 -0.75 -0.69 0.00 0.00 174.62 172.71 3lrs s LYS 117 N 0.76 3.99 0.48 4.92 2.47 0.16 -4.74 119.74 127.78 3lrs s LYS 117 Ca 0.14 -0.14 -0.21 0.00 -1.56 0.00 0.00 55.97 54.20 3lrs s LYS 117 Cb -0.21 -3.65 -0.09 0.00 -1.46 0.00 0.00 37.83 32.42 3lrs s LYS 117 CO -0.09 -0.21 1.04 0.20 0.16 0.00 0.00 175.35 176.45 3lrs s GLY 118 N 1.65 2.52 0.47 5.54 0.00 -1.26 -1.79 107.32 114.46 3lrs s GLY 118 Ca 0.11 0.61 -0.20 0.00 0.00 0.00 0.00 44.72 45.24 3lrs s GLY 118 CO 0.10 0.94 0.99 -4.14 0.00 0.00 0.00 173.10 170.99 3lrs s PRO 119 N -3.17 3.98 0.21 2.90 0.02 -1.26 -4.66 135.00 133.02 3lrs s PRO 119 Ca 0.66 1.17 -0.21 0.00 0.02 0.00 0.00 61.00 62.64 3lrs s PRO 119 Cb -0.17 -2.14 -0.08 0.00 0.02 0.00 0.00 34.50 32.14 3lrs s PRO 119 CO 0.20 -0.25 0.74 -1.12 -0.33 0.00 0.00 177.00 176.23 3lrs s SER 120 N -2.33 7.14 -0.26 2.53 0.01 -0.41 -4.95 113.70 115.43 3lrs s SER 120 Ca 0.63 1.47 0.02 0.00 1.31 0.00 0.00 55.95 59.38 3lrs s SER 120 Cb -0.12 -2.44 0.07 0.00 0.21 0.00 0.00 66.02 63.74 3lrs s SER 120 CO 0.20 0.08 -0.04 -0.69 0.41 0.00 0.00 173.24 173.20 3lrs s VAL 121 N -1.43 1.77 -0.14 3.43 1.01 -1.26 -1.40 120.40 122.38 3lrs s VAL 121 Ca 0.41 -1.53 -0.05 0.00 0.00 0.00 0.00 61.98 60.81 3lrs s VAL 121 Cb -0.18 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3lrs s VAL 121 CO 0.22 -0.21 0.06 -0.36 0.00 0.00 0.00 175.10 174.81 3lrs s PHE 122 N 1.26 3.30 -0.05 5.22 0.08 -0.36 -4.92 117.98 122.51 3lrs s PHE 122 Ca -0.03 0.21 -0.30 0.00 0.12 0.00 0.00 56.93 56.93 3lrs s PHE 122 Cb -0.19 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 3lrs s PHE 122 CO -0.08 0.39 0.99 -2.14 -0.10 0.00 0.00 175.22 174.29 3lrs s PRO 123 N -0.37 4.49 -0.78 0.24 0.02 -1.26 -0.93 135.00 136.41 3lrs s PRO 123 Ca 0.09 1.41 -0.20 0.00 0.02 0.00 0.00 61.00 62.32 3lrs s PRO 123 Cb -0.12 -3.50 0.11 0.00 0.02 0.00 0.00 34.50 31.01 3lrs s PRO 123 CO 0.02 -0.18 0.98 -0.51 -0.33 0.00 0.00 177.00 176.98 3lrs s LEU 124 N 1.50 5.02 0.56 -5.54 1.43 0.09 -4.94 118.68 116.80 3lrs s LEU 124 Ca 0.50 -1.66 -0.18 0.00 -1.03 0.00 0.00 54.13 51.76 3lrs s LEU 124 Cb -0.20 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 3lrs s LEU 124 CO 0.23 -1.16 1.07 0.00 0.23 0.00 0.00 176.35 176.73 3lrs s ALA 125 N 2.94 2.74 0.04 4.21 0.00 -1.26 -0.83 121.76 129.59 3lrs s ALA 125 Ca 0.25 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 3lrs s ALA 125 Cb -0.12 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 3lrs s ALA 125 CO -0.01 -0.71 1.57 -1.25 0.00 0.00 0.00 175.76 175.36 3lrs s PRO 126 N -3.68 4.22 0.76 0.00 0.04 -1.26 -4.83 135.00 130.26 3lrs s PRO 126 Ca 0.67 2.20 -0.11 0.00 0.04 0.00 0.00 61.00 63.80 3lrs s PRO 126 Cb -0.18 -3.62 0.05 0.00 0.04 0.00 0.00 34.50 30.79 3lrs s PRO 126 CO 0.31 -0.69 1.09 -1.54 0.04 0.00 0.00 177.00 176.21 3lrs s SER 127 N 2.30 4.83 -0.16 6.66 1.04 -1.26 -4.76 113.70 122.35 3lrs s SER 127 Ca 0.71 1.28 -0.32 0.00 0.48 0.00 0.00 55.95 58.10 3lrs s SER 127 Cb -0.37 -2.04 -0.09 0.00 0.10 0.00 0.00 66.02 63.62 3lrs s SER 127 CO 0.30 -1.75 2.07 -1.20 0.98 0.00 0.00 173.24 173.64 3lrs n SER 128 N -3.29 3.26 0.00 7.02 7.64 -1.26 -5.01 113.62 121.97 3lrs n SER 128 Ca 0.07 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.55 3lrs n SER 128 Cb 0.56 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 3lrs n SER 128 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3lrs n LYS 129 N 7.79 0.00 -3.58 1.43 5.02 -1.26 -5.19 118.16 122.37 3lrs n LYS 129 Ca 0.28 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.51 3lrs n LYS 129 Cb 0.35 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.34 3lrs n LYS 129 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3lrs s GLY 133 N -0.22 -0.39 0.00 0.72 0.00 -1.26 -5.05 107.32 101.13 3lrs s GLY 133 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.53 3lrs s GLY 133 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.96 3lrs n GLY 134 N -0.31 -0.28 3.63 0.20 0.00 -1.26 -4.71 105.19 102.46 3lrs n GLY 134 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3lrs n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lrs s THR 135 N 0.00 4.28 -0.12 2.61 2.01 -1.26 -2.17 115.64 120.99 3lrs s THR 135 Ca 0.00 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 61.74 3lrs s THR 135 Cb 0.00 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 3lrs s THR 135 CO 0.00 0.55 -0.05 0.00 -0.69 0.00 0.00 174.62 174.43 3lrs s ALA 136 N -0.37 2.99 -0.16 7.40 0.00 0.63 -4.81 121.76 127.44 3lrs s ALA 136 Ca 0.07 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 3lrs s ALA 136 Cb -0.12 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.59 3lrs s ALA 136 CO 0.02 0.38 -0.13 0.00 0.00 0.00 0.00 175.76 176.03 3lrs s ALA 137 N -0.17 2.57 0.19 0.00 0.00 -1.26 -0.86 121.76 122.22 3lrs s ALA 137 Ca 0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 3lrs s ALA 137 Cb -0.13 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 3lrs s ALA 137 CO 0.03 -0.04 0.11 -0.48 0.00 0.00 0.00 175.76 175.37 3lrs s LEU 138 N 0.83 1.32 0.00 0.00 0.05 -1.10 -4.23 118.68 115.56 3lrs s LEU 138 Ca -0.04 -1.35 0.00 0.00 0.05 0.00 0.00 54.13 52.79 3lrs s LEU 138 Cb -0.15 0.34 0.00 0.00 -2.05 0.00 0.00 46.19 44.33 3lrs s LEU 138 CO 0.00 -0.81 0.00 0.61 -0.55 0.00 0.00 176.35 175.60 3lrs n GLY 139 N -0.24 1.06 2.97 -3.48 0.00 -0.01 -1.57 105.19 103.92 3lrs n GLY 139 Ca 0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 3lrs n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lrs s LEU 141 N 0.29 3.80 -0.58 0.00 2.96 -0.10 -2.11 118.68 122.94 3lrs s LEU 141 Ca -0.04 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 3lrs s LEU 141 Cb -0.09 -1.92 0.15 0.00 0.50 0.00 0.00 46.19 44.83 3lrs s LEU 141 CO 0.00 -0.15 0.41 -0.69 -1.32 0.00 0.00 176.35 174.60 3lrs s VAL 142 N 1.56 3.89 0.40 1.68 1.01 -0.08 -1.22 120.40 127.64 3lrs s VAL 142 Ca 0.04 -2.55 0.06 0.00 0.00 0.00 0.00 61.98 59.53 3lrs s VAL 142 Cb -0.17 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 3lrs s VAL 142 CO 0.04 -0.84 0.02 -1.59 0.00 0.00 0.00 175.10 172.73 3lrs s LYS 143 N 0.42 1.93 -0.99 2.72 -2.85 -0.49 -0.91 119.74 119.58 3lrs s LYS 143 Ca 0.13 -2.11 -0.00 0.00 -1.00 0.00 0.00 55.97 53.00 3lrs s LYS 143 Cb -0.21 -1.47 -0.00 0.00 -2.06 0.00 0.00 37.83 34.09 3lrs s LYS 143 CO -0.04 -0.11 0.82 -0.25 0.10 0.00 0.00 175.35 175.87 3lrs n ASP 144 N -0.95 -2.08 -4.28 0.03 8.00 0.34 -1.29 116.55 116.31 3lrs n ASP 144 Ca -0.06 -0.51 -0.19 0.00 0.71 0.00 0.00 54.79 54.74 3lrs n ASP 144 Cb 0.67 -4.31 -0.11 0.00 -0.02 0.00 0.00 41.12 37.35 3lrs n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3lrs s TYR 145 N -3.30 1.55 -0.28 1.24 -0.85 -0.92 -4.32 117.35 110.47 3lrs s TYR 145 Ca 0.00 -0.56 -0.18 0.00 -0.52 0.00 0.00 57.07 55.82 3lrs s TYR 145 Cb -0.00 -0.78 0.11 0.00 0.38 0.00 0.00 41.96 41.67 3lrs s TYR 145 CO 0.60 0.22 0.85 0.12 -1.52 0.00 0.00 175.55 175.82 3lrs s PHE 146 N -2.39 -0.77 0.43 -3.49 5.36 -0.74 -1.02 117.98 115.36 3lrs s PHE 146 Ca 0.14 1.61 -0.02 0.00 -0.96 0.00 0.00 56.93 57.70 3lrs s PHE 146 Cb -0.04 0.45 0.09 0.00 -0.34 0.00 0.00 43.02 43.19 3lrs s PHE 146 CO 0.04 -0.38 0.59 -0.35 -1.46 0.00 0.00 175.22 173.66 3lrs n PRO 147 N 3.65 0.02 -1.74 10.12 -0.04 -1.26 0.38 135.00 146.13 3lrs n PRO 147 Ca -0.18 -1.42 -0.32 0.00 -0.04 0.00 0.00 63.50 61.54 3lrs n PRO 147 Cb 0.58 -0.45 0.04 0.00 -0.04 0.00 0.00 33.50 33.63 3lrs n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3lrs s GLU 148 N -4.03 3.06 0.45 0.54 2.02 -1.26 -4.74 118.70 114.74 3lrs s GLU 148 Ca 0.38 1.05 0.07 0.00 0.02 0.00 0.00 54.97 56.49 3lrs s GLU 148 Cb -0.02 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 3lrs s GLU 148 CO 0.25 -1.01 0.35 -1.25 0.02 0.00 0.00 175.26 173.62 3lrs s PRO 149 N -4.68 2.38 0.07 0.39 0.04 -1.26 -4.94 135.00 126.99 3lrs s PRO 149 Ca 0.60 -1.74 0.09 0.00 0.04 0.00 0.00 61.00 59.99 3lrs s PRO 149 Cb -0.15 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3lrs s PRO 149 CO 0.48 -0.31 -0.24 0.54 0.04 0.00 0.00 177.00 177.51 3lrs s VAL 150 N -2.59 1.99 0.09 -0.36 0.11 -1.26 -4.29 120.40 114.09 3lrs s VAL 150 Ca 0.43 -1.44 0.07 0.00 -2.93 0.00 0.00 61.98 58.10 3lrs s VAL 150 Cb -0.01 -1.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.06 3lrs s VAL 150 CO 0.25 0.21 -0.10 0.28 -3.33 0.00 0.00 175.10 172.41 3lrs s THR 151 N -0.90 3.35 -0.04 5.04 -1.32 -0.57 -4.98 115.64 116.22 3lrs s THR 151 Ca 0.11 -1.22 -0.01 0.00 -1.21 0.00 0.00 61.69 59.36 3lrs s THR 151 Cb -0.10 -2.55 0.03 0.00 -1.51 0.00 0.00 72.50 68.37 3lrs s THR 151 CO 0.03 0.15 0.01 -0.69 -2.21 0.00 0.00 174.62 171.92 3lrs s VAL 152 N -1.18 0.16 0.42 5.08 1.01 -1.26 -1.57 120.40 123.06 3lrs s VAL 152 Ca 0.21 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.42 3lrs s VAL 152 Cb -0.11 -0.31 -0.07 0.00 0.00 0.00 0.00 36.38 35.90 3lrs s VAL 152 CO 0.13 0.18 0.03 -0.94 0.00 0.00 0.00 175.10 174.49 3lrs s SER 153 N 1.52 3.96 -0.05 3.32 1.04 -0.39 -4.98 113.70 118.13 3lrs s SER 153 Ca -0.03 -1.38 0.04 0.00 0.48 0.00 0.00 55.95 55.06 3lrs s SER 153 Cb -0.13 -0.28 -0.00 0.00 0.10 0.00 0.00 66.02 65.71 3lrs s SER 153 CO -0.03 -0.51 -0.17 0.26 0.98 0.00 0.00 173.24 173.77 3lrs s TRP 154 N -2.72 1.70 -1.62 5.02 0.52 -1.26 -0.59 118.94 119.99 3lrs s TRP 154 Ca 0.32 -0.50 -0.12 0.00 0.02 0.00 0.00 56.10 55.81 3lrs s TRP 154 Cb 0.08 -1.15 0.11 0.00 -1.15 0.00 0.00 33.47 31.36 3lrs s TRP 154 CO 0.16 -0.18 0.62 0.09 0.02 0.00 0.00 176.95 177.67 3lrs n ASN 155 N 3.19 -2.13 -2.90 2.95 4.13 0.51 -0.86 115.26 120.14 3lrs n ASN 155 Ca -0.18 -1.04 -0.22 0.00 1.68 0.00 0.00 54.58 54.82 3lrs n ASN 155 Cb 0.53 -2.72 0.03 0.00 -1.54 0.00 0.00 39.78 36.08 3lrs n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3lrs n SER 156 N -2.76 -6.06 0.00 6.41 7.64 -1.26 -1.88 113.62 115.71 3lrs n SER 156 Ca -0.06 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.56 3lrs n SER 156 Cb 0.56 -4.89 0.00 0.00 -1.01 0.00 0.00 64.21 58.87 3lrs n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lrs n GLY 157 N -1.47 1.44 0.02 0.23 0.00 -0.04 -4.88 105.19 100.49 3lrs n GLY 157 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3lrs n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lrs n ALA 158 N -0.50 2.11 -3.82 4.61 0.00 -0.79 -4.58 120.51 117.53 3lrs n ALA 158 Ca 0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 3lrs n ALA 158 Cb 0.00 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 17.88 3lrs n ALA 158 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3lrs s LEU 159 N -3.26 2.05 0.00 0.00 2.96 -1.04 -4.97 118.68 114.43 3lrs s LEU 159 Ca 0.11 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 3lrs s LEU 159 Cb 0.15 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.43 3lrs s LEU 159 CO 0.46 0.04 0.00 0.35 -1.32 0.00 0.00 176.35 175.88 3lrs n THR 160 N 4.28 0.00 -2.33 3.68 -2.24 -1.26 -4.28 114.28 112.14 3lrs n THR 160 Ca -0.20 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.20 3lrs n THR 160 Cb 0.51 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 3lrs n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3lrs s SER 161 N -2.18 6.66 -1.12 3.42 0.15 -1.26 -3.43 113.70 115.94 3lrs s SER 161 Ca 0.00 2.33 0.00 0.00 0.70 0.00 0.00 55.95 58.98 3lrs s SER 161 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3lrs s SER 161 CO 0.00 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.47 3lrs n GLY 162 N 0.69 0.29 3.39 9.45 0.00 -1.26 -4.73 105.19 113.02 3lrs n GLY 162 Ca 0.03 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 3lrs n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lrs s VAL 163 N -2.57 4.08 -0.40 1.61 1.01 -1.22 -0.38 120.40 122.54 3lrs s VAL 163 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 3lrs s VAL 163 Cb 0.00 -2.97 0.10 0.00 0.00 0.00 0.00 36.38 33.51 3lrs s VAL 163 CO 0.00 0.26 0.18 -1.00 0.00 0.00 0.00 175.10 174.54 3lrs s HIS 164 N 1.56 3.57 -0.31 5.22 3.76 0.22 -5.00 115.29 124.30 3lrs s HIS 164 Ca 0.05 -2.37 -0.17 0.00 -0.15 0.00 0.00 55.06 52.42 3lrs s HIS 164 Cb -0.16 -3.12 -0.02 0.00 1.11 0.00 0.00 32.58 30.39 3lrs s HIS 164 CO 0.02 -0.96 0.47 0.99 -0.85 0.00 0.00 174.74 174.42 3lrs s THR 165 N 1.15 5.07 0.48 1.30 2.01 -1.26 -1.14 115.64 123.25 3lrs s THR 165 Ca 0.07 0.48 -0.03 0.00 0.31 0.00 0.00 61.69 62.52 3lrs s THR 165 Cb -0.22 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 3lrs s THR 165 CO -0.04 -0.06 0.75 -0.36 -0.69 0.00 0.00 174.62 174.22 3lrs s PHE 166 N 2.28 3.38 0.79 4.92 0.40 -0.05 -5.00 117.98 124.70 3lrs s PHE 166 Ca 0.18 0.54 -0.10 0.00 -0.60 0.00 0.00 56.93 56.94 3lrs s PHE 166 Cb -0.16 -2.36 0.07 0.00 0.51 0.00 0.00 43.02 41.09 3lrs s PHE 166 CO 0.12 -0.38 1.10 -2.14 0.70 0.00 0.00 175.22 174.61 3lrs s PRO 167 N -4.69 2.07 0.07 0.24 0.02 -1.26 -4.33 135.00 127.12 3lrs s PRO 167 Ca 0.48 1.21 -0.22 0.00 0.02 0.00 0.00 61.00 62.50 3lrs s PRO 167 Cb -0.10 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 3lrs s PRO 167 CO 0.42 -1.79 0.66 0.00 -0.33 0.00 0.00 177.00 175.96 3lrs s ALA 168 N -2.87 3.49 0.06 -1.55 0.00 -1.26 -4.65 121.76 114.98 3lrs s ALA 168 Ca 0.62 0.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 3lrs s ALA 168 Cb -0.18 -2.80 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 3lrs s ALA 168 CO 0.56 0.25 0.38 0.08 0.00 0.00 0.00 175.76 177.03 3lrs s VAL 169 N -0.67 5.12 -0.29 0.00 1.01 -0.17 -4.93 120.40 120.47 3lrs s VAL 169 Ca 0.33 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.58 3lrs s VAL 169 Cb -0.20 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3lrs s VAL 169 CO 0.21 0.33 0.44 -0.22 0.00 0.00 0.00 175.10 175.85 3lrs s LEU 170 N -1.81 4.12 0.87 3.92 2.96 -1.26 -1.90 118.68 125.58 3lrs s LEU 170 Ca 0.31 0.26 -0.12 0.00 -0.22 0.00 0.00 54.13 54.37 3lrs s LEU 170 Cb -0.14 -2.52 0.16 0.00 0.50 0.00 0.00 46.19 44.19 3lrs s LEU 170 CO 0.17 -0.28 1.21 -1.10 -1.32 0.00 0.00 176.35 175.04 3lrs s GLN 171 N 2.19 1.15 0.49 1.98 -0.21 -0.38 -4.94 119.66 119.94 3lrs s GLN 171 Ca 0.17 -0.48 0.17 0.00 0.02 0.00 0.00 55.36 55.24 3lrs s GLN 171 Cb -0.16 -1.99 1.19 0.00 1.00 0.00 0.00 33.01 33.06 3lrs s GLN 171 CO 0.10 -2.02 2.08 1.03 -2.12 0.00 0.00 175.29 174.37 3lrs h SER 172 N -1.25 0.00 0.34 5.90 0.87 -1.98 -3.00 113.55 114.42 3lrs h SER 172 Ca -0.43 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.03 3lrs h SER 172 Cb 1.26 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 3lrs h SER 172 CO 0.44 0.09 -0.42 0.77 -0.53 0.00 0.00 176.83 177.17 3lrs h SER 173 N 0.00 0.11 0.00 6.23 4.64 -2.00 -3.46 113.55 119.07 3lrs h SER 173 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3lrs h SER 173 Cb 0.16 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3lrs h SER 173 CO 0.01 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 3lrs n GLY 174 N -0.25 0.85 3.64 -0.77 0.00 -1.13 -4.83 105.19 102.70 3lrs n GLY 174 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3lrs n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lrs s LEU 175 N 0.00 3.20 0.11 0.99 1.43 -1.26 -4.84 118.68 118.32 3lrs s LEU 175 Ca 0.00 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3lrs s LEU 175 Cb 0.00 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 3lrs s LEU 175 CO 0.00 0.03 0.32 -0.31 0.23 0.00 0.00 176.35 176.62 3lrs s TYR 176 N -2.10 3.49 0.04 0.29 1.51 -0.19 -1.25 117.35 119.15 3lrs s TYR 176 Ca 0.30 0.44 0.05 0.00 -1.01 0.00 0.00 57.07 56.84 3lrs s TYR 176 Cb -0.07 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 3lrs s TYR 176 CO 0.19 0.49 -0.14 -1.12 -1.11 0.00 0.00 175.55 173.86 3lrs s SER 177 N -2.48 1.65 0.25 2.29 0.01 -0.80 -0.51 113.70 114.12 3lrs s SER 177 Ca 0.39 -0.48 -0.07 0.00 1.31 0.00 0.00 55.95 57.10 3lrs s SER 177 Cb -0.12 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 3lrs s SER 177 CO 0.26 0.02 0.37 -1.48 0.41 0.00 0.00 173.24 172.81 3lrs s LEU 178 N -1.22 0.73 0.08 2.44 0.05 -0.09 -1.00 118.68 119.68 3lrs s LEU 178 Ca 0.01 -1.19 0.02 0.00 0.05 0.00 0.00 54.13 53.02 3lrs s LEU 178 Cb -0.08 1.26 -0.04 0.00 -2.05 0.00 0.00 46.19 45.28 3lrs s LEU 178 CO 0.01 -1.07 -0.07 -0.44 -0.55 0.00 0.00 176.35 174.23 3lrs s SER 179 N -3.11 1.06 -0.06 1.48 0.01 -1.26 -0.90 113.70 110.91 3lrs s SER 179 Ca 0.29 -0.86 -0.03 0.00 1.31 0.00 0.00 55.95 56.66 3lrs s SER 179 Cb 0.02 0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.36 3lrs s SER 179 CO 0.12 -0.38 0.13 -0.55 0.41 0.00 0.00 173.24 172.97 3lrs s SER 180 N -2.59 0.27 0.20 2.44 0.15 -0.90 -0.87 113.70 112.39 3lrs s SER 180 Ca 0.05 0.26 0.11 0.00 0.70 0.00 0.00 55.95 57.07 3lrs s SER 180 Cb 0.01 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 3lrs s SER 180 CO -0.03 -0.18 -0.20 0.68 1.20 0.00 0.00 173.24 174.70 3lrs s VAL 181 N 1.58 2.56 -0.00 4.45 -7.23 -0.29 -1.31 120.40 120.16 3lrs s VAL 181 Ca -0.04 -1.96 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 3lrs s VAL 181 Cb -0.12 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 3lrs s VAL 181 CO -0.05 -0.13 -0.14 0.54 -0.31 0.00 0.00 175.10 175.01 3lrs s VAL 182 N -1.73 1.08 -0.29 1.32 0.11 -0.61 -0.61 120.40 119.67 3lrs s VAL 182 Ca 0.22 -0.63 -0.11 0.00 -2.93 0.00 0.00 61.98 58.53 3lrs s VAL 182 Cb -0.08 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 3lrs s VAL 182 CO 0.11 0.27 0.18 -0.89 -3.33 0.00 0.00 175.10 171.45 3lrs s THR 183 N -0.38 5.14 0.24 5.04 2.01 0.49 -2.70 115.64 125.48 3lrs s THR 183 Ca 0.05 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.08 3lrs s THR 183 Cb -0.06 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 3lrs s THR 183 CO -0.00 0.19 0.05 0.68 -0.69 0.00 0.00 174.62 174.85 3lrs s VAL 184 N 1.73 0.78 0.28 3.82 -7.23 -0.04 -4.70 120.40 115.04 3lrs s VAL 184 Ca 0.07 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 3lrs s VAL 184 Cb -0.16 -2.48 -0.10 0.00 0.56 0.00 0.00 36.38 34.20 3lrs s VAL 184 CO 0.10 -0.17 1.10 -2.84 -0.31 0.00 0.00 175.10 172.97 3lrs s PRO 185 N -3.95 4.63 0.52 4.82 0.02 -1.26 -0.27 135.00 139.51 3lrs s PRO 185 Ca 0.33 1.79 0.18 0.00 0.02 0.00 0.00 61.00 63.32 3lrs s PRO 185 Cb 0.07 -3.17 1.33 0.00 0.02 0.00 0.00 34.50 32.75 3lrs s PRO 185 CO 0.11 0.20 2.15 0.77 -0.33 0.00 0.00 177.00 179.90 3lrs h SER 186 N 3.77 0.00 0.70 2.53 0.02 -1.72 -1.80 113.55 117.06 3lrs h SER 186 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3lrs h SER 186 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3lrs h SER 186 CO 0.67 0.02 0.00 0.77 -1.14 0.00 0.00 176.83 177.14 3lrs h SER 187 N 0.00 0.00 -0.08 3.07 4.64 -1.85 -2.59 113.55 116.73 3lrs h SER 187 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lrs h SER 187 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3lrs h SER 187 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 3lrs n SER 188 N -2.83 1.63 -4.72 4.97 3.41 -0.68 -4.77 113.62 110.64 3lrs n SER 188 Ca 0.00 -1.59 -0.41 0.00 -0.26 0.00 0.00 58.87 56.60 3lrs n SER 188 Cb 0.23 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 3lrs n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3lrs s LEU 189 N -1.83 4.44 0.00 1.04 1.43 -0.98 -0.60 118.68 122.18 3lrs s LEU 189 Ca 0.36 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 3lrs s LEU 189 Cb 0.20 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.84 3lrs s LEU 189 CO 0.31 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.32 3lrs n GLY 190 N 2.55 2.19 0.21 -3.19 0.00 -1.26 -4.80 105.19 100.89 3lrs n GLY 190 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 3lrs n GLY 190 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3lrs n THR 191 N -2.00 0.06 -2.06 2.61 5.66 -1.04 -5.02 114.28 112.49 3lrs n THR 191 Ca 0.00 -0.02 -0.32 0.00 -3.05 0.00 0.00 64.05 60.66 3lrs n THR 191 Cb 0.00 -0.75 -0.00 0.00 -1.55 0.00 0.00 70.33 68.03 3lrs n THR 191 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 3lrs s GLN 192 N -2.02 3.57 -0.19 1.09 2.00 0.24 -5.07 119.66 119.28 3lrs s GLN 192 Ca -0.01 0.95 -0.00 0.00 -2.00 0.00 0.00 55.36 54.30 3lrs s GLN 192 Cb 0.00 -2.08 0.01 0.00 0.80 0.00 0.00 33.01 31.75 3lrs s GLN 192 CO 0.02 -0.59 -0.15 0.99 -0.50 0.00 0.00 175.29 175.06 3lrs s THR 193 N -2.80 2.47 -0.45 -0.34 2.01 -1.26 -4.82 115.64 110.46 3lrs s THR 193 Ca 0.59 -0.80 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 3lrs s THR 193 Cb -0.12 -2.07 0.08 0.00 0.01 0.00 0.00 72.50 70.40 3lrs s THR 193 CO 0.42 0.51 0.33 -0.31 -0.69 0.00 0.00 174.62 174.88 3lrs s TYR 194 N 1.29 3.29 -0.06 4.92 2.02 -1.26 -4.90 117.35 122.65 3lrs s TYR 194 Ca 0.04 -1.22 0.03 0.00 -0.37 0.00 0.00 57.07 55.55 3lrs s TYR 194 Cb -0.14 -3.08 -0.03 0.00 -0.40 0.00 0.00 41.96 38.32 3lrs s TYR 194 CO -0.09 -0.82 -0.13 0.42 -1.57 0.00 0.00 175.55 173.36 3lrs s ILE 195 N 1.54 3.15 -0.10 2.71 1.01 -1.26 -0.56 121.20 127.70 3lrs s ILE 195 Ca 0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 3lrs s ILE 195 Cb -0.24 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 3lrs s ILE 195 CO 0.04 0.58 -0.06 0.00 0.00 0.00 0.00 174.94 175.51 3lrs s ASN 197 N -0.45 4.76 -0.20 0.00 -0.87 0.25 -2.02 114.94 116.41 3lrs s ASN 197 Ca 0.07 -0.61 -0.02 0.00 -1.57 0.00 0.00 52.86 50.73 3lrs s ASN 197 Cb -0.12 -1.81 -0.00 0.00 -0.02 0.00 0.00 41.25 39.30 3lrs s ASN 197 CO 0.02 -0.12 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.65 3lrs s VAL 198 N 1.47 3.07 -0.19 1.60 1.01 0.20 -1.26 120.40 126.29 3lrs s VAL 198 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3lrs s VAL 198 Cb -0.16 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.87 3lrs s VAL 198 CO -0.00 0.46 -0.17 0.21 0.00 0.00 0.00 175.10 175.61 3lrs s ASN 199 N 1.23 3.40 -0.91 3.32 2.47 -0.61 -1.17 114.94 122.66 3lrs s ASN 199 Ca 0.03 -0.62 -0.06 0.00 0.42 0.00 0.00 52.86 52.62 3lrs s ASN 199 Cb -0.14 -1.53 0.23 0.00 -1.45 0.00 0.00 41.25 38.35 3lrs s ASN 199 CO -0.03 -0.01 0.84 -2.28 -3.72 0.00 0.00 177.10 171.89 3lrs s HIS 200 N 1.32 3.92 0.25 0.43 5.65 -0.01 -1.51 115.29 125.35 3lrs s HIS 200 Ca 0.05 -2.69 -0.05 0.00 0.25 0.00 0.00 55.06 52.62 3lrs s HIS 200 Cb -0.13 -3.53 0.49 0.00 -1.18 0.00 0.00 32.58 28.23 3lrs s HIS 200 CO -0.11 -0.87 1.64 0.87 -0.65 0.00 0.00 174.74 175.63 3lrs h LYS 201 N 6.68 0.14 -0.04 2.88 1.57 -1.83 -1.90 116.57 124.07 3lrs h LYS 201 Ca 0.13 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3lrs h LYS 201 Cb 0.89 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.11 3lrs h LYS 201 CO 0.87 0.09 -0.46 -1.35 -0.57 0.00 0.00 179.45 178.03 3lrs h PRO 202 N 0.14 -0.56 -0.39 3.15 0.11 -1.91 -0.97 132.00 131.58 3lrs h PRO 202 Ca 0.44 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3lrs h PRO 202 Cb 0.80 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3lrs h PRO 202 CO -0.65 -0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 175.64 3lrs n SER 203 N -5.45 1.54 -4.16 -2.05 3.41 -0.99 -4.91 113.62 101.00 3lrs n SER 203 Ca -0.06 -2.07 -0.33 0.00 -0.26 0.00 0.00 58.87 56.16 3lrs n SER 203 Cb 0.38 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 3lrs n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3lrs n ASN 204 N 0.18 -0.57 -4.18 4.04 4.13 -0.37 -4.86 115.26 113.64 3lrs n ASN 204 Ca 0.08 -1.21 -0.34 0.00 1.68 0.00 0.00 54.58 54.79 3lrs n ASN 204 Cb 0.28 -2.02 -0.15 0.00 -1.54 0.00 0.00 39.78 36.35 3lrs n ASN 204 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3lrs s THR 205 N -4.09 2.52 -0.08 3.41 2.01 -1.14 -5.01 115.64 113.26 3lrs s THR 205 Ca 0.12 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.24 3lrs s THR 205 Cb -0.06 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 3lrs s THR 205 CO 0.96 0.42 -0.11 -0.54 -0.69 0.00 0.00 174.62 174.67 3lrs s LYS 206 N 1.33 2.81 -0.09 4.92 1.02 -1.26 -0.83 119.74 127.64 3lrs s LYS 206 Ca 0.03 -0.63 -0.09 0.00 0.02 0.00 0.00 55.97 55.31 3lrs s LYS 206 Cb -0.14 -2.53 0.02 0.00 -0.52 0.00 0.00 37.83 34.66 3lrs s LYS 206 CO -0.09 0.55 0.25 0.08 -0.92 0.00 0.00 175.35 175.22 3lrs s VAL 207 N -0.52 0.00 -0.10 3.17 1.01 -0.32 -5.00 120.40 118.65 3lrs s VAL 207 Ca 0.07 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3lrs s VAL 207 Cb -0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 3lrs s VAL 207 CO 0.02 -0.00 -0.19 -1.81 0.00 0.00 0.00 175.10 173.11 3lrs s ASP 208 N 0.11 3.53 -0.14 3.32 1.01 -1.26 -0.63 116.67 122.60 3lrs s ASP 208 Ca -0.00 -0.43 -0.00 0.00 0.71 0.00 0.00 52.55 52.83 3lrs s ASP 208 Cb -0.02 -1.31 0.03 0.00 1.01 0.00 0.00 42.92 42.63 3lrs s ASP 208 CO 0.00 0.20 -0.09 -0.75 0.21 0.00 0.00 175.17 174.74 3lrs s LYS 209 N 0.13 1.73 0.08 8.23 2.36 -0.86 -4.93 119.74 126.49 3lrs s LYS 209 Ca -0.10 -0.46 -0.31 0.00 -2.55 0.00 0.00 55.97 52.56 3lrs s LYS 209 Cb -0.16 -1.91 -0.07 0.00 -1.05 0.00 0.00 37.83 34.64 3lrs s LYS 209 CO 0.06 -0.32 1.41 1.03 1.55 0.00 0.00 175.35 179.07 3lrs s ARG 210 N 1.60 4.31 -0.32 4.03 0.52 -1.26 -2.42 118.95 125.41 3lrs s ARG 210 Ca 0.03 2.06 -0.10 0.00 -0.52 0.00 0.00 55.73 57.21 3lrs s ARG 210 Cb -0.14 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 31.99 3lrs s ARG 210 CO -0.09 -0.49 0.15 0.08 0.02 0.00 0.00 175.30 174.98 3lrs s VAL 211 N 1.50 4.53 0.19 3.52 1.01 0.28 -4.91 120.40 126.52 3lrs s VAL 211 Ca 0.65 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 62.17 3lrs s VAL 211 Cb -0.36 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3lrs s VAL 211 CO 0.29 0.01 -0.14 -1.61 0.00 0.00 0.00 175.10 173.65 3lrs s GLU 212 N 1.59 1.29 0.00 2.72 0.41 -1.26 -4.47 118.70 118.98 3lrs s GLU 212 Ca 0.04 -1.55 0.16 0.00 -0.41 0.00 0.00 54.97 53.21 3lrs s GLU 212 Cb -0.17 -1.08 0.96 0.00 -1.78 0.00 0.00 34.13 32.06 3lrs s GLU 212 CO 0.06 0.18 1.37 -2.30 -0.49 0.00 0.00 175.26 174.08