#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h42 s VAL 2 N 0.00 2.97 -0.14 3.84 1.01 -1.26 -4.09 120.40 122.73 3h42 s VAL 2 Ca 0.00 0.74 -0.17 0.00 0.00 0.00 0.00 61.98 62.55 3h42 s VAL 2 Cb 0.00 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.95 3h42 s VAL 2 CO 0.00 0.09 0.46 -1.58 0.00 0.00 0.00 175.10 174.06 3h42 s GLN 3 N 0.44 0.60 -0.04 2.72 0.74 -0.17 -4.99 119.66 118.95 3h42 s GLN 3 Ca 0.63 0.49 0.02 0.00 0.05 0.00 0.00 55.36 56.54 3h42 s GLN 3 Cb -0.40 0.29 0.02 0.00 1.10 0.00 0.00 33.01 34.02 3h42 s GLN 3 CO 0.36 -0.10 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.41 3h42 s LEU 4 N -0.11 1.51 -0.24 3.68 1.43 -1.26 -1.59 118.68 122.10 3h42 s LEU 4 Ca -0.03 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3h42 s LEU 4 Cb -0.03 -0.56 0.07 0.00 0.03 0.00 0.00 46.19 45.70 3h42 s LEU 4 CO 0.02 -0.01 0.03 -0.69 0.23 0.00 0.00 176.35 175.93 3h42 s VAL 5 N 0.69 0.93 0.29 -1.59 1.01 -0.61 -4.10 120.40 117.02 3h42 s VAL 5 Ca -0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.80 3h42 s VAL 5 Cb -0.14 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 3h42 s VAL 5 CO 0.01 -0.30 0.62 -1.83 0.00 0.00 0.00 175.10 173.60 3h42 s GLU 6 N 1.65 3.78 0.28 2.72 1.03 -1.26 -1.35 118.70 125.55 3h42 s GLU 6 Ca 0.00 0.29 -0.11 0.00 0.03 0.00 0.00 54.97 55.19 3h42 s GLU 6 Cb -0.18 -2.57 0.00 0.00 -0.80 0.00 0.00 34.13 30.59 3h42 s GLU 6 CO -0.12 0.20 0.50 -1.54 -1.33 0.00 0.00 175.26 172.97 3h42 s SER 7 N -2.72 0.13 0.00 0.83 1.04 0.81 -4.68 113.70 109.11 3h42 s SER 7 Ca 0.48 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.84 3h42 s SER 7 Cb -0.11 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3h42 s SER 7 CO 0.25 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.86 3h42 n GLY 8 N -0.43 0.60 3.63 7.32 0.00 -1.26 -0.96 105.19 114.08 3h42 n GLY 8 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3h42 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h42 s GLY 9 N -1.26 1.63 0.00 -0.02 0.00 -1.26 -4.68 107.32 101.73 3h42 s GLY 9 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.97 3h42 s GLY 9 CO 0.00 0.77 0.00 0.61 0.00 0.00 0.00 173.10 174.48 3h42 n GLY 10 N 0.12 -1.35 3.80 0.20 0.00 -0.67 -4.93 105.19 102.36 3h42 n GLY 10 Ca 0.08 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 3h42 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h42 s LEU 11 N 0.00 4.32 0.07 0.99 2.96 -1.26 -1.09 118.68 124.67 3h42 s LEU 11 Ca 0.00 0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 54.33 3h42 s LEU 11 Cb 0.00 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 3h42 s LEU 11 CO 0.00 0.27 0.11 0.54 -1.32 0.00 0.00 176.35 175.94 3h42 s VAL 12 N -0.32 0.16 0.33 1.68 0.11 -0.34 -4.97 120.40 117.04 3h42 s VAL 12 Ca 0.15 -1.35 -0.05 0.00 -2.93 0.00 0.00 61.98 57.80 3h42 s VAL 12 Cb -0.13 -1.31 -0.05 0.00 -1.53 0.00 0.00 36.38 33.37 3h42 s VAL 12 CO 0.04 -0.74 0.60 -0.54 -3.33 0.00 0.00 175.10 171.12 3h42 s LYS 13 N -3.63 3.63 0.26 1.54 1.02 -1.26 -1.35 119.74 119.96 3h42 s LYS 13 Ca 0.04 0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.79 3h42 s LYS 13 Cb 0.05 -2.59 -0.14 0.00 -0.52 0.00 0.00 37.83 34.63 3h42 s LYS 13 CO -0.09 0.14 1.14 -2.30 -0.92 0.00 0.00 175.35 173.32 3h42 n PRO 14 N -1.16 1.53 -0.01 -1.68 -0.02 -1.26 -1.10 135.00 131.29 3h42 n PRO 14 Ca -0.01 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3h42 n PRO 14 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3h42 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h42 n GLY 15 N 1.47 1.47 0.70 -1.23 0.00 0.11 -4.93 105.19 102.78 3h42 n GLY 15 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 3h42 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h42 n GLY 16 N -2.00 -0.30 3.06 -0.02 0.00 -0.26 -4.00 105.19 101.67 3h42 n GLY 16 Ca 0.00 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 3h42 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h42 s SER 17 N -1.81 0.92 0.02 1.61 0.01 -1.26 -1.79 113.70 111.40 3h42 s SER 17 Ca 0.13 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 56.82 3h42 s SER 17 Cb -0.01 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 3h42 s SER 17 CO 0.09 -0.17 0.07 -0.76 0.41 0.00 0.00 173.24 172.88 3h42 s LEU 18 N -1.48 1.85 -0.22 2.44 1.43 -0.42 -5.01 118.68 117.27 3h42 s LEU 18 Ca -0.08 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3h42 s LEU 18 Cb -0.09 0.49 0.05 0.00 0.03 0.00 0.00 46.19 46.66 3h42 s LEU 18 CO 0.01 -0.41 -0.09 -0.60 0.23 0.00 0.00 176.35 175.49 3h42 s ARG 19 N -1.93 1.92 0.20 1.70 3.52 -1.26 -0.54 118.95 122.56 3h42 s ARG 19 Ca -0.11 -0.99 -0.12 0.00 -0.13 0.00 0.00 55.73 54.38 3h42 s ARG 19 Cb -0.05 -2.56 -0.07 0.00 -1.56 0.00 0.00 34.95 30.70 3h42 s ARG 19 CO -0.02 -0.51 0.57 -0.51 -0.81 0.00 0.00 175.30 174.02 3h42 s LEU 20 N 1.34 4.24 0.20 -0.88 1.43 -0.08 -4.63 118.68 120.31 3h42 s LEU 20 Ca -0.04 1.04 0.09 0.00 -1.03 0.00 0.00 54.13 54.18 3h42 s LEU 20 Cb -0.18 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 3h42 s LEU 20 CO -0.07 -0.01 -0.16 -0.44 0.23 0.00 0.00 176.35 175.90 3h42 s SER 21 N -2.05 2.77 -0.09 2.29 0.01 -0.13 -1.54 113.70 114.96 3h42 s SER 21 Ca 0.44 -0.97 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 3h42 s SER 21 Cb -0.13 -0.17 0.05 0.00 0.21 0.00 0.00 66.02 65.98 3h42 s SER 21 CO 0.20 -0.10 0.15 0.00 0.41 0.00 0.00 173.24 173.90 3h42 s ALA 23 N 2.27 3.58 0.06 0.00 0.00 -0.46 -1.12 121.76 126.09 3h42 s ALA 23 Ca 0.04 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3h42 s ALA 23 Cb -0.12 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 3h42 s ALA 23 CO -0.06 0.11 0.12 0.00 0.00 0.00 0.00 175.76 175.92 3h42 s ALA 24 N 0.48 3.69 0.07 0.00 0.00 -0.49 -1.58 121.76 123.94 3h42 s ALA 24 Ca 0.06 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.88 3h42 s ALA 24 Cb -0.12 -1.57 0.05 0.00 0.00 0.00 0.00 23.12 21.48 3h42 s ALA 24 CO -0.00 0.76 0.48 -1.54 0.00 0.00 0.00 175.76 175.46 3h42 s SER 25 N -2.30 -0.38 0.00 0.00 1.04 -0.62 -4.88 113.70 106.56 3h42 s SER 25 Ca 0.30 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.75 3h42 s SER 25 Cb -0.12 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3h42 s SER 25 CO 0.22 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.29 3h42 n GLY 26 N 0.23 0.77 3.69 7.32 0.00 -1.26 -1.00 105.19 114.93 3h42 n GLY 26 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 3h42 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h42 s PHE 27 N -2.90 0.17 -1.22 1.61 -0.71 -1.26 -4.27 117.98 109.40 3h42 s PHE 27 Ca 0.00 -0.57 -0.19 0.00 -1.04 0.00 0.00 56.93 55.13 3h42 s PHE 27 Cb 0.00 0.37 0.06 0.00 -1.21 0.00 0.00 43.02 42.24 3h42 s PHE 27 CO 0.00 -1.09 1.68 0.99 -1.34 0.00 0.00 175.22 175.47 3h42 s THR 28 N -3.96 4.04 0.41 -4.49 2.01 -1.26 -4.82 115.64 107.56 3h42 s THR 28 Ca 0.18 -1.58 0.15 0.00 0.31 0.00 0.00 61.69 60.75 3h42 s THR 28 Cb -0.03 -5.13 0.36 0.00 0.01 0.00 0.00 72.50 67.72 3h42 s THR 28 CO 0.08 -1.95 1.88 0.15 -0.69 0.00 0.00 174.62 174.09 3h42 h PHE 29 N 8.24 0.59 0.00 4.92 3.57 -1.95 -2.18 116.94 130.14 3h42 h PHE 29 Ca 0.38 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3h42 h PHE 29 Cb 0.91 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.46 3h42 h PHE 29 CO 1.38 0.19 0.00 0.43 -2.23 0.00 0.00 178.31 178.09 3h42 n SER 30 N -4.51 0.00 -0.78 0.41 7.64 -1.26 -1.95 113.62 113.17 3h42 n SER 30 Ca 0.17 -0.03 0.08 0.00 1.01 0.00 0.00 58.87 60.10 3h42 n SER 30 Cb 0.59 -0.30 0.15 0.00 -1.01 0.00 0.00 64.21 63.63 3h42 n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3h42 n SER 31 N -1.30 2.84 -4.47 6.43 7.64 -0.82 -4.71 113.62 119.24 3h42 n SER 31 Ca 0.11 -1.84 -0.33 0.00 1.01 0.00 0.00 58.87 57.82 3h42 n SER 31 Cb 0.20 -0.18 -0.13 0.00 -1.01 0.00 0.00 64.21 63.09 3h42 n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3h42 s TYR 32 N -1.14 2.75 0.64 1.43 1.51 -0.82 -2.30 117.35 119.42 3h42 s TYR 32 Ca 0.26 -0.21 -0.13 0.00 -1.01 0.00 0.00 57.07 55.98 3h42 s TYR 32 Cb 0.15 -1.68 -0.02 0.00 -0.11 0.00 0.00 41.96 40.31 3h42 s TYR 32 CO 0.21 0.14 1.06 -1.12 -1.11 0.00 0.00 175.55 174.73 3h42 s SER 33 N -0.56 5.59 0.15 2.29 0.01 0.41 -3.86 113.70 117.72 3h42 s SER 33 Ca 0.08 1.72 0.06 0.00 1.31 0.00 0.00 55.95 59.12 3h42 s SER 33 Cb -0.11 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 3h42 s SER 33 CO 0.01 -1.30 -0.14 -0.04 0.41 0.00 0.00 173.24 172.19 3h42 s MET 34 N -4.54 1.12 -0.01 12.44 -1.94 0.08 -1.55 119.30 124.91 3h42 s MET 34 Ca 0.61 -1.36 -0.07 0.00 -1.71 0.00 0.00 55.69 53.16 3h42 s MET 34 Cb -0.15 -0.96 0.00 0.00 2.01 0.00 0.00 34.83 35.74 3h42 s MET 34 CO 0.45 0.17 0.13 -0.80 -0.01 0.00 0.00 175.02 174.97 3h42 s ASN 35 N -2.76 0.00 -0.15 3.03 0.01 0.03 -0.77 114.94 114.35 3h42 s ASN 35 Ca 0.14 -0.13 -0.03 0.00 -0.71 0.00 0.00 52.86 52.12 3h42 s ASN 35 Cb -0.03 0.22 -0.03 0.00 0.41 0.00 0.00 41.25 41.82 3h42 s ASN 35 CO 0.04 -0.31 -0.03 0.26 -1.51 0.00 0.00 177.10 175.55 3h42 s TRP 36 N -1.13 3.04 -0.03 2.20 0.52 -0.19 -1.36 118.94 122.00 3h42 s TRP 36 Ca -0.12 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 55.80 3h42 s TRP 36 Cb -0.07 -1.94 -0.00 0.00 -1.15 0.00 0.00 33.47 30.31 3h42 s TRP 36 CO 0.01 0.03 -0.13 0.08 0.02 0.00 0.00 176.95 176.96 3h42 s VAL 37 N 0.22 1.11 0.26 4.03 1.01 0.12 -0.77 120.40 126.37 3h42 s VAL 37 Ca -0.02 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 61.51 3h42 s VAL 37 Cb -0.14 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 3h42 s VAL 37 CO 0.03 0.33 -0.18 0.00 0.00 0.00 0.00 175.10 175.27 3h42 s ARG 38 N 0.02 1.57 -0.21 2.72 1.70 0.07 0.46 118.95 125.28 3h42 s ARG 38 Ca -0.01 -1.72 -0.04 0.00 -0.47 0.00 0.00 55.73 53.49 3h42 s ARG 38 Cb -0.09 -1.56 0.10 0.00 -0.57 0.00 0.00 34.95 32.83 3h42 s ARG 38 CO 0.01 0.28 0.25 -1.14 -1.08 0.00 0.00 175.30 173.62 3h42 s GLN 39 N -3.56 0.22 0.46 3.89 0.74 0.46 -0.46 119.66 121.41 3h42 s GLN 39 Ca 0.28 0.29 -0.23 0.00 0.05 0.00 0.00 55.36 55.74 3h42 s GLN 39 Cb -0.03 -1.02 -0.07 0.00 1.10 0.00 0.00 33.01 32.98 3h42 s GLN 39 CO 0.12 -0.64 1.19 0.00 -0.55 0.00 0.00 175.29 175.42 3h42 s ALA 40 N 2.37 2.99 0.07 1.58 0.00 -1.26 -1.01 121.76 126.49 3h42 s ALA 40 Ca 0.08 0.98 -0.35 0.00 0.00 0.00 0.00 51.96 52.68 3h42 s ALA 40 Cb -0.16 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.43 3h42 s ALA 40 CO -0.13 -0.72 1.64 -2.30 0.00 0.00 0.00 175.76 174.26 3h42 n PRO 41 N -0.46 2.00 -1.06 0.00 -0.02 -1.26 -0.34 135.00 133.86 3h42 n PRO 41 Ca 0.07 0.73 -0.02 0.00 -2.02 0.00 0.00 63.50 62.26 3h42 n PRO 41 Cb 0.47 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.45 3h42 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h42 n GLY 42 N 3.60 0.50 1.82 -1.23 0.00 -1.26 -5.01 105.19 103.62 3h42 n GLY 42 Ca 0.19 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 3h42 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h42 n LYS 43 N -2.08 1.36 -2.48 1.61 4.76 0.53 -5.15 118.16 116.71 3h42 n LYS 43 Ca -0.02 -1.86 -0.25 0.00 -2.87 0.00 0.00 58.31 53.32 3h42 n LYS 43 Cb 0.17 0.51 0.04 0.00 -1.84 0.00 0.00 35.03 33.91 3h42 n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3h42 s GLY 44 N -2.40 1.67 0.32 0.72 0.00 -1.26 -4.73 107.32 101.64 3h42 s GLY 44 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 3h42 s GLY 44 CO 0.00 -0.65 1.30 1.08 0.00 0.00 0.00 173.10 174.82 3h42 s LEU 45 N -4.95 4.44 -0.10 0.66 1.43 -1.26 -4.38 118.68 114.51 3h42 s LEU 45 Ca 0.56 2.64 -0.01 0.00 -1.03 0.00 0.00 54.13 56.29 3h42 s LEU 45 Cb -0.10 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.50 3h42 s LEU 45 CO 0.42 -0.51 -0.03 -0.70 0.23 0.00 0.00 176.35 175.76 3h42 s GLU 46 N -1.62 1.04 0.24 1.70 2.12 0.39 -4.98 118.70 117.59 3h42 s GLU 46 Ca 0.49 -0.13 -0.30 0.00 0.36 0.00 0.00 54.97 55.39 3h42 s GLU 46 Cb -0.39 -1.39 -0.10 0.00 0.26 0.00 0.00 34.13 32.51 3h42 s GLU 46 CO 0.51 -0.33 1.49 -0.46 -0.54 0.00 0.00 175.26 175.94 3h42 s TRP 47 N 1.83 2.97 -0.17 5.30 -0.00 -1.26 -0.75 118.94 126.86 3h42 s TRP 47 Ca 0.04 0.91 -0.08 0.00 -0.00 0.00 0.00 56.10 56.97 3h42 s TRP 47 Cb -0.13 -3.89 -0.07 0.00 -0.00 0.00 0.00 33.47 29.38 3h42 s TRP 47 CO -0.07 -2.99 -0.21 0.28 -0.00 0.00 0.00 176.95 173.96 3h42 n VAL 48 N 2.59 0.92 -3.55 5.86 0.31 0.05 -4.58 118.33 119.93 3h42 n VAL 48 Ca 0.08 -0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 64.07 3h42 n VAL 48 Cb 0.39 -1.70 -0.04 0.00 -0.91 0.00 0.00 33.84 31.59 3h42 n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3h42 s SER 49 N -6.46 -0.37 0.02 4.52 0.15 -1.12 -1.24 113.70 109.19 3h42 s SER 49 Ca -0.23 0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.68 3h42 s SER 49 Cb 0.09 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.72 3h42 s SER 49 CO 0.30 -0.46 -0.05 -0.44 1.20 0.00 0.00 173.24 173.79 3h42 s SER 50 N -1.67 0.60 -0.03 5.45 0.01 -0.85 -1.02 113.70 116.19 3h42 s SER 50 Ca 0.01 -0.32 -0.01 0.00 1.31 0.00 0.00 55.95 56.94 3h42 s SER 50 Cb -0.01 0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.26 3h42 s SER 50 CO -0.02 -0.09 0.06 -0.51 0.41 0.00 0.00 173.24 173.09 3h42 s ILE 51 N -0.78 -0.06 0.89 1.44 2.07 0.05 -2.26 121.20 122.56 3h42 s ILE 51 Ca -0.05 0.20 -0.13 0.00 -1.41 0.00 0.00 60.65 59.26 3h42 s ILE 51 Cb -0.06 -0.13 0.13 0.00 0.13 0.00 0.00 42.46 42.53 3h42 s ILE 51 CO -0.00 0.08 1.19 -0.94 -1.91 0.00 0.00 174.94 173.36 3h42 s SER 52 N 1.08 3.77 0.36 4.50 1.04 -0.15 -0.74 113.70 123.56 3h42 s SER 52 Ca -0.09 0.74 0.04 0.00 0.48 0.00 0.00 55.95 57.12 3h42 s SER 52 Cb -0.12 -1.16 0.70 0.00 0.10 0.00 0.00 66.02 65.54 3h42 s SER 52 CO -0.04 -2.37 1.98 0.77 0.98 0.00 0.00 173.24 174.57 3h42 h SER 53 N -1.38 0.69 -0.59 7.02 4.64 -1.87 -0.99 113.55 121.07 3h42 h SER 53 Ca -0.47 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3h42 h SER 53 Cb 1.31 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3h42 h SER 53 CO 0.58 0.47 0.00 -1.54 -0.87 0.00 0.00 176.83 175.47 3h42 n SER 54 N -4.46 3.72 -0.60 4.97 3.41 -1.26 -4.90 113.62 114.49 3h42 n SER 54 Ca 0.09 -2.07 -0.08 0.00 -0.26 0.00 0.00 58.87 56.55 3h42 n SER 54 Cb 0.15 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3h42 n SER 54 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3h42 n SER 55 N 1.18 -4.54 0.03 4.04 7.64 -0.38 -4.88 113.62 116.72 3h42 n SER 55 Ca 0.21 0.19 0.12 0.00 1.01 0.00 0.00 58.87 60.40 3h42 n SER 55 Cb 0.60 -2.73 0.22 0.00 -1.01 0.00 0.00 64.21 61.28 3h42 n SER 55 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3h42 n SER 56 N -0.16 0.59 -4.28 6.43 3.41 -1.26 -4.58 113.62 113.76 3h42 n SER 56 Ca -0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.20 3h42 n SER 56 Cb 0.36 0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 64.33 3h42 n SER 56 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3h42 s TYR 57 N -3.10 2.84 -0.02 7.33 1.51 -1.26 -5.02 117.35 119.63 3h42 s TYR 57 Ca 0.08 -0.99 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 3h42 s TYR 57 Cb 0.15 -1.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.08 3h42 s TYR 57 CO 0.70 -0.47 -0.00 0.42 -1.11 0.00 0.00 175.55 175.09 3h42 s ILE 58 N 0.94 0.12 0.14 2.71 1.01 -1.26 -0.97 121.20 123.90 3h42 s ILE 58 Ca -0.02 0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 3h42 s ILE 58 Cb -0.15 -0.19 0.01 0.00 0.01 0.00 0.00 42.46 42.14 3h42 s ILE 58 CO -0.01 0.10 0.32 -0.94 0.00 0.00 0.00 174.94 174.41 3h42 s SER 59 N 0.66 -0.04 0.01 3.58 1.04 -0.96 -5.00 113.70 112.99 3h42 s SER 59 Ca -0.06 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.74 3h42 s SER 59 Cb -0.09 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 3h42 s SER 59 CO -0.01 -0.87 -0.04 -0.31 0.98 0.00 0.00 173.24 172.99 3h42 s TYR 60 N -3.89 0.37 0.56 5.02 2.02 -1.26 -2.00 117.35 118.17 3h42 s TYR 60 Ca 0.10 -0.26 -0.21 0.00 -0.37 0.00 0.00 57.07 56.33 3h42 s TYR 60 Cb 0.03 -0.23 -0.04 0.00 -0.40 0.00 0.00 41.96 41.31 3h42 s TYR 60 CO -0.06 -0.06 1.32 0.00 -1.57 0.00 0.00 175.55 175.18 3h42 s ALA 61 N -0.67 2.72 0.33 3.71 0.00 -0.37 -4.89 121.76 122.59 3h42 s ALA 61 Ca -0.05 1.26 0.07 0.00 0.00 0.00 0.00 51.96 53.24 3h42 s ALA 61 Cb -0.05 -3.54 0.75 0.00 0.00 0.00 0.00 23.12 20.27 3h42 s ALA 61 CO -0.00 -1.36 1.83 -0.44 0.00 0.00 0.00 175.76 175.79 3h42 h ASP 62 N 1.26 0.75 0.60 0.00 3.45 -1.94 -2.50 116.42 118.04 3h42 h ASP 62 Ca -0.51 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.01 3h42 h ASP 62 Cb 1.30 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 3h42 h ASP 62 CO 0.56 0.34 0.00 0.77 -1.57 0.00 0.00 179.24 179.35 3h42 h SER 63 N 0.77 0.00 0.00 6.45 4.64 -1.96 -2.52 113.55 120.93 3h42 h SER 63 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3h42 h SER 63 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3h42 h SER 63 CO -0.27 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.02 3h42 n VAL 64 N -2.30 0.11 -1.71 0.95 0.24 -0.98 -5.00 118.33 109.64 3h42 n VAL 64 Ca 0.01 -0.54 -0.42 0.00 -2.04 0.00 0.00 64.34 61.35 3h42 n VAL 64 Cb 0.19 0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 33.50 3h42 n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3h42 n LYS 65 N -0.05 2.77 0.00 7.34 3.00 -0.95 -1.56 118.16 128.70 3h42 n LYS 65 Ca 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.31 3h42 n LYS 65 Cb 0.03 -2.86 0.00 0.00 0.00 0.00 0.00 35.03 32.21 3h42 n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3h42 n GLY 66 N 4.01 2.35 0.06 3.14 0.00 -1.26 -4.80 105.19 108.69 3h42 n GLY 66 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 3h42 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h42 n ARG 67 N -2.00 0.68 -3.92 1.61 1.74 -0.60 -5.01 116.66 109.15 3h42 n ARG 67 Ca 0.00 0.06 -0.34 0.00 -0.77 0.00 0.00 57.85 56.80 3h42 n ARG 67 Cb 0.00 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.14 3h42 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3h42 s PHE 68 N -2.25 3.53 -0.09 -1.55 2.99 -0.76 -1.64 117.98 118.22 3h42 s PHE 68 Ca -0.15 0.36 -0.00 0.00 0.00 0.00 0.00 56.93 57.14 3h42 s PHE 68 Cb 0.04 -1.83 0.02 0.00 0.00 0.00 0.00 43.02 41.26 3h42 s PHE 68 CO 0.31 0.65 -0.05 0.99 -0.00 0.00 0.00 175.22 177.11 3h42 s THR 69 N -1.29 0.79 0.16 0.64 2.01 0.18 -4.90 115.64 113.25 3h42 s THR 69 Ca 0.26 -0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 3h42 s THR 69 Cb -0.12 -0.84 -0.06 0.00 0.01 0.00 0.00 72.50 71.49 3h42 s THR 69 CO 0.17 0.32 0.40 -0.51 -0.69 0.00 0.00 174.62 174.31 3h42 s ILE 70 N 1.59 5.14 0.21 1.82 2.07 -1.26 -0.96 121.20 129.82 3h42 s ILE 70 Ca 0.01 0.05 -0.23 0.00 -1.41 0.00 0.00 60.65 59.07 3h42 s ILE 70 Cb -0.13 -3.63 0.04 0.00 0.13 0.00 0.00 42.46 38.87 3h42 s ILE 70 CO -0.05 -0.00 0.85 -0.94 -1.91 0.00 0.00 174.94 172.89 3h42 s SER 71 N -2.50 -0.20 0.09 4.50 1.04 -0.98 -4.99 113.70 110.65 3h42 s SER 71 Ca 0.42 -0.52 -0.11 0.00 0.48 0.00 0.00 55.95 56.22 3h42 s SER 71 Cb -0.12 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.61 3h42 s SER 71 CO 0.25 -1.12 0.24 0.00 0.98 0.00 0.00 173.24 173.59 3h42 s ARG 72 N -3.52 0.87 -0.31 4.02 1.70 -1.26 0.02 118.95 120.46 3h42 s ARG 72 Ca 0.12 -0.84 -0.02 0.00 -0.47 0.00 0.00 55.73 54.52 3h42 s ARG 72 Cb -0.03 0.36 0.11 0.00 -0.57 0.00 0.00 34.95 34.81 3h42 s ARG 72 CO 0.05 -0.29 0.13 0.34 -1.08 0.00 0.00 175.30 174.45 3h42 s ASP 73 N -2.71 3.68 0.35 -2.89 -1.08 0.50 -4.99 116.67 109.54 3h42 s ASP 73 Ca 0.03 -1.58 0.08 0.00 -0.52 0.00 0.00 52.55 50.55 3h42 s ASP 73 Cb 0.03 -0.59 0.67 0.00 -1.46 0.00 0.00 42.92 41.57 3h42 s ASP 73 CO -0.10 -0.41 1.86 0.78 0.52 0.00 0.00 175.17 177.82 3h42 h ASN 74 N 8.07 0.29 0.20 -0.34 2.35 -1.94 -1.30 115.58 122.91 3h42 h ASN 74 Ca -0.14 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.49 3h42 h ASN 74 Cb 1.00 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 3h42 h ASN 74 CO 0.44 0.48 -0.20 0.00 -1.65 0.00 0.00 177.43 176.50 3h42 h ALA 75 N 1.55 1.66 -0.61 -0.83 0.00 -1.95 -2.23 119.26 116.85 3h42 h ALA 75 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3h42 h ALA 75 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3h42 h ALA 75 CO 0.03 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.17 3h42 n LYS 76 N -4.30 2.66 -4.08 0.00 5.02 -0.59 -4.97 118.16 111.90 3h42 n LYS 76 Ca -0.02 -2.51 -0.27 0.00 -2.02 0.00 0.00 58.31 53.49 3h42 n LYS 76 Cb 0.26 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 3h42 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3h42 n ASN 77 N 1.51 0.05 -4.05 4.39 3.02 -0.61 -4.83 115.26 114.74 3h42 n ASN 77 Ca 0.22 -1.10 -0.16 0.00 -0.03 0.00 0.00 54.58 53.52 3h42 n ASN 77 Cb 0.60 -2.56 -0.13 0.00 -0.61 0.00 0.00 39.78 37.09 3h42 n ASN 77 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3h42 s SER 78 N -4.35 1.00 -0.03 6.41 0.01 -0.84 -1.39 113.70 114.51 3h42 s SER 78 Ca 0.02 -0.40 0.07 0.00 1.31 0.00 0.00 55.95 56.95 3h42 s SER 78 Cb -0.01 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 3h42 s SER 78 CO 0.93 -0.07 -0.24 -0.22 0.41 0.00 0.00 173.24 174.05 3h42 s LEU 79 N -1.06 2.18 0.10 2.44 2.96 -0.28 -0.37 118.68 124.65 3h42 s LEU 79 Ca -0.04 -0.42 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 3h42 s LEU 79 Cb -0.07 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 3h42 s LEU 79 CO 0.00 0.32 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.84 3h42 s TYR 80 N -0.61 1.75 -0.19 5.38 1.51 0.10 -0.74 117.35 124.55 3h42 s TYR 80 Ca 0.10 -0.42 -0.02 0.00 -1.01 0.00 0.00 57.07 55.71 3h42 s TYR 80 Cb -0.10 -0.96 0.06 0.00 -0.11 0.00 0.00 41.96 40.85 3h42 s TYR 80 CO -0.01 0.20 0.02 -1.17 -1.11 0.00 0.00 175.55 173.48 3h42 s LEU 81 N -1.91 1.37 -0.32 -1.29 2.96 -0.59 -2.33 118.68 116.58 3h42 s LEU 81 Ca 0.06 -0.84 -0.22 0.00 -0.22 0.00 0.00 54.13 52.92 3h42 s LEU 81 Cb -0.10 -0.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.91 3h42 s LEU 81 CO 0.04 -0.29 0.71 -1.58 -1.32 0.00 0.00 176.35 173.91 3h42 s GLN 82 N 1.79 3.88 -0.26 1.98 2.00 -0.13 -0.90 119.66 128.02 3h42 s GLN 82 Ca -0.01 0.38 -0.05 0.00 -2.00 0.00 0.00 55.36 53.67 3h42 s GLN 82 Cb -0.17 -3.75 -0.00 0.00 0.80 0.00 0.00 33.01 29.89 3h42 s GLN 82 CO -0.08 -0.66 0.03 -1.64 -0.50 0.00 0.00 175.29 172.44 3h42 s MET 83 N 2.81 3.25 0.31 1.67 -1.94 0.30 -0.64 119.30 125.05 3h42 s MET 83 Ca 0.28 -0.73 0.10 0.00 -1.71 0.00 0.00 55.69 53.63 3h42 s MET 83 Cb -0.14 -3.22 -0.05 0.00 2.01 0.00 0.00 34.83 33.43 3h42 s MET 83 CO 0.13 -0.32 -0.03 -0.80 -0.01 0.00 0.00 175.02 173.99 3h42 s ASN 84 N 1.49 4.18 -1.46 3.03 0.01 -0.65 -1.30 114.94 120.24 3h42 s ASN 84 Ca 0.04 -0.90 -0.06 0.00 -0.71 0.00 0.00 52.86 51.23 3h42 s ASN 84 Cb -0.16 -0.58 0.04 0.00 0.41 0.00 0.00 41.25 40.96 3h42 s ASN 84 CO 0.00 -0.12 0.64 -1.20 -1.51 0.00 0.00 177.10 174.92 3h42 n SER 85 N -0.88 -1.82 -4.75 -1.22 7.64 -1.04 -4.67 113.62 106.88 3h42 n SER 85 Ca -0.05 -0.93 -0.38 0.00 1.01 0.00 0.00 58.87 58.52 3h42 n SER 85 Cb 0.61 -3.35 0.04 0.00 -1.01 0.00 0.00 64.21 60.50 3h42 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h42 s LEU 86 N -7.02 3.82 0.29 -3.43 1.43 -0.74 -4.60 118.68 108.43 3h42 s LEU 86 Ca 0.25 2.76 0.06 0.00 -1.03 0.00 0.00 54.13 56.18 3h42 s LEU 86 Cb -0.13 -4.31 -0.06 0.00 0.03 0.00 0.00 46.19 41.71 3h42 s LEU 86 CO 0.87 -1.63 -0.04 -0.13 0.23 0.00 0.00 176.35 175.65 3h42 s ARG 87 N -2.96 1.59 0.27 1.70 0.52 -1.26 0.05 118.95 118.86 3h42 s ARG 87 Ca 0.73 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 3h42 s ARG 87 Cb -0.40 -1.15 0.53 0.00 0.52 0.00 0.00 34.95 34.45 3h42 s ARG 87 CO 0.47 0.00 1.82 0.00 0.02 0.00 0.00 175.30 177.61 3h42 h ALA 88 N 2.23 1.43 0.00 2.13 0.00 -1.97 -0.11 119.26 122.96 3h42 h ALA 88 Ca -0.40 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h42 h ALA 88 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3h42 h ALA 88 CO 0.68 0.14 0.00 0.39 0.00 0.00 0.00 179.25 180.46 3h42 n GLU 89 N -4.69 0.06 0.00 0.00 4.71 -1.26 -1.22 120.64 118.24 3h42 n GLU 89 Ca 0.18 0.41 0.15 0.00 -0.01 0.00 0.00 57.16 57.89 3h42 n GLU 89 Cb 0.37 -1.63 0.80 0.00 -1.01 0.00 0.00 31.44 29.96 3h42 n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3h42 n ASP 90 N -1.75 0.52 -4.68 1.62 8.00 -0.05 -4.85 116.55 115.35 3h42 n ASP 90 Ca 0.02 -1.17 -0.42 0.00 0.71 0.00 0.00 54.79 53.92 3h42 n ASP 90 Cb 0.11 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 3h42 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h42 s THR 91 N -2.00 3.30 0.00 -3.53 2.01 -0.36 -4.87 115.64 110.19 3h42 s THR 91 Ca 0.45 0.67 0.00 0.00 0.31 0.00 0.00 61.69 63.11 3h42 s THR 91 Cb 0.22 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.30 3h42 s THR 91 CO 0.36 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.27 3h42 n ALA 92 N 5.86 0.00 -2.43 7.40 0.00 -0.30 -4.37 120.51 126.66 3h42 n ALA 92 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 3h42 n ALA 92 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 3h42 n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3h42 s VAL 93 N -2.00 4.68 -0.23 0.00 1.01 -0.18 -1.44 120.40 122.24 3h42 s VAL 93 Ca 0.00 1.93 -0.06 0.00 0.00 0.00 0.00 61.98 63.85 3h42 s VAL 93 Cb 0.00 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3h42 s VAL 93 CO 0.00 0.28 0.02 -0.31 0.00 0.00 0.00 175.10 175.10 3h42 s TYR 94 N 0.29 3.04 -0.01 5.22 2.02 -0.25 -0.40 117.35 127.26 3h42 s TYR 94 Ca 0.46 -0.57 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3h42 s TYR 94 Cb -0.22 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 3h42 s TYR 94 CO 0.27 -0.38 0.08 -0.06 -1.57 0.00 0.00 175.55 173.90 3h42 s PHE 95 N 1.42 3.30 0.08 2.71 0.08 0.17 -1.63 117.98 124.11 3h42 s PHE 95 Ca 0.05 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.32 3h42 s PHE 95 Cb -0.15 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 3h42 s PHE 95 CO 0.01 0.56 0.23 0.00 -0.10 0.00 0.00 175.22 175.92 3h42 s ALA 97 N -1.57 -0.96 0.18 0.00 0.00 -0.46 -1.18 121.76 117.76 3h42 s ALA 97 Ca 0.35 0.70 0.04 0.00 0.00 0.00 0.00 51.96 53.04 3h42 s ALA 97 Cb -0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 3h42 s ALA 97 CO 0.28 -0.25 0.29 -0.98 0.00 0.00 0.00 175.76 175.10 3h42 s ARG 98 N -0.81 3.37 -0.11 0.00 1.70 -0.82 -0.79 118.95 121.49 3h42 s ARG 98 Ca -0.09 -0.68 -0.08 0.00 -0.47 0.00 0.00 55.73 54.40 3h42 s ARG 98 Cb -0.04 -2.90 0.04 0.00 -0.57 0.00 0.00 34.95 31.48 3h42 s ARG 98 CO 0.04 0.49 0.28 0.16 -1.08 0.00 0.00 175.30 175.19 3h42 s ASP 99 N -3.43 -0.30 0.38 -2.89 -4.77 -0.59 -2.60 116.67 102.47 3h42 s ASP 99 Ca 0.34 0.58 -0.28 0.00 -3.30 0.00 0.00 52.55 49.89 3h42 s ASP 99 Cb -0.10 0.54 -0.11 0.00 -1.09 0.00 0.00 42.92 42.16 3h42 s ASP 99 CO 0.28 -0.13 1.49 0.00 0.70 0.00 0.00 175.17 177.52 3h42 n TYR 100 N 3.44 3.01 -2.81 2.11 9.36 -1.26 -0.45 117.16 130.55 3h42 n TYR 100 Ca -0.17 0.44 -0.43 0.00 3.32 0.00 0.00 57.90 61.06 3h42 n TYR 100 Cb 0.56 -2.53 -0.04 0.00 -0.63 0.00 0.00 39.34 36.70 3h42 n TYR 100 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3h42 s ASP 101 N -0.14 6.30 -0.06 2.98 -1.08 -0.97 -4.66 116.67 119.02 3h42 s ASP 101 Ca 0.54 -0.48 0.16 0.00 -0.52 0.00 0.00 52.55 52.25 3h42 s ASP 101 Cb -0.47 -2.45 0.57 0.00 -1.46 0.00 0.00 42.92 39.12 3h42 s ASP 101 CO 0.64 -1.32 1.46 0.49 0.52 0.00 0.00 175.17 176.96 3h42 n PHE 102 N 7.68 1.10 -3.67 -5.34 3.72 -1.26 -4.95 117.46 114.74 3h42 n PHE 102 Ca 0.01 -0.46 -0.25 0.00 -0.05 0.00 0.00 57.45 56.70 3h42 n PHE 102 Cb 0.47 -0.15 0.07 0.00 -0.94 0.00 0.00 39.48 38.93 3h42 n PHE 102 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3h42 n TRP 103 N 1.00 -2.72 -0.87 1.38 7.02 -1.26 -1.21 117.44 120.78 3h42 n TRP 103 Ca 0.21 0.99 0.00 0.00 -1.02 0.00 0.00 57.50 57.68 3h42 n TRP 103 Cb 0.68 -4.79 0.00 0.00 -2.42 0.00 0.00 31.31 24.77 3h42 n TRP 103 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3h42 n SER 104 N -2.98 -0.70 0.17 -0.99 3.41 -1.26 -4.86 113.62 106.40 3h42 n SER 104 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 3h42 n SER 104 Cb 0.56 -0.91 0.31 0.00 -0.26 0.00 0.00 64.21 63.90 3h42 n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h42 h ALA 105 N 0.00 1.25 -2.19 7.33 0.00 -1.58 -3.44 119.26 120.62 3h42 h ALA 105 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3h42 h ALA 105 Cb 0.06 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 17.57 3h42 h ALA 105 CO 0.00 0.55 0.04 -0.47 0.00 0.00 0.00 179.25 179.37 3h42 s TYR 106 N -4.00 -0.64 -0.41 0.00 6.14 -1.26 -5.12 117.35 112.06 3h42 s TYR 106 Ca -0.02 1.43 -0.08 0.00 0.64 0.00 0.00 57.07 59.04 3h42 s TYR 106 Cb 0.14 0.27 0.08 0.00 0.42 0.00 0.00 41.96 42.87 3h42 s TYR 106 CO 0.73 -0.40 0.24 0.71 0.64 0.00 0.00 175.55 177.47 3h42 s TYR 107 N -0.17 3.37 0.76 4.97 1.51 -1.26 -4.45 117.35 122.08 3h42 s TYR 107 Ca -0.04 -1.70 -0.08 0.00 -1.01 0.00 0.00 57.07 54.25 3h42 s TYR 107 Cb -0.03 -2.98 0.09 0.00 -0.11 0.00 0.00 41.96 38.93 3h42 s TYR 107 CO 0.03 -0.87 1.08 0.34 -1.11 0.00 0.00 175.55 175.02 3h42 s ASP 108 N 2.07 4.45 0.69 2.29 2.15 -1.26 -5.05 116.67 122.00 3h42 s ASP 108 Ca 0.03 0.36 -0.12 0.00 0.43 0.00 0.00 52.55 53.25 3h42 s ASP 108 Cb -0.23 -0.86 0.01 0.00 -0.30 0.00 0.00 42.92 41.54 3h42 s ASP 108 CO 0.01 -1.85 1.07 0.00 -0.17 0.00 0.00 175.17 174.24 3h42 s ALA 109 N -3.37 2.55 -0.78 3.66 0.00 -1.26 -4.96 121.76 117.59 3h42 s ALA 109 Ca 0.63 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.58 3h42 s ALA 109 Cb -0.09 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.83 3h42 s ALA 109 CO 0.46 -1.30 1.34 -0.06 0.00 0.00 0.00 175.76 176.20 3h42 s PHE 110 N -2.81 2.29 -0.56 0.00 2.99 -1.26 -4.55 117.98 114.08 3h42 s PHE 110 Ca 0.61 -0.14 0.23 0.00 0.00 0.00 0.00 56.93 57.63 3h42 s PHE 110 Cb -0.16 -4.61 0.15 0.00 0.00 0.00 0.00 43.02 38.40 3h42 s PHE 110 CO 0.50 -2.06 1.13 -0.40 -0.00 0.00 0.00 175.22 174.39 3h42 n ASP 111 N 9.48 0.66 -3.88 1.36 5.75 -1.07 -4.78 116.55 124.06 3h42 n ASP 111 Ca 0.09 -0.01 -0.18 0.00 -0.01 0.00 0.00 54.79 54.69 3h42 n ASP 111 Cb 0.49 0.52 -0.16 0.00 -1.03 0.00 0.00 41.12 40.95 3h42 n ASP 111 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3h42 s VAL 112 N -3.21 0.38 0.22 2.12 1.01 -1.26 -5.04 120.40 114.61 3h42 s VAL 112 Ca 0.04 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.06 3h42 s VAL 112 Cb 0.13 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 3h42 s VAL 112 CO 0.77 0.17 -0.21 0.26 0.00 0.00 0.00 175.10 176.09 3h42 s TRP 113 N 0.70 2.34 0.38 5.22 0.52 -1.26 -1.95 118.94 124.88 3h42 s TRP 113 Ca -0.08 -0.33 -0.04 0.00 0.02 0.00 0.00 56.10 55.66 3h42 s TRP 113 Cb -0.11 -1.11 0.08 0.00 -1.15 0.00 0.00 33.47 31.18 3h42 s TRP 113 CO -0.01 0.57 0.51 0.41 0.02 0.00 0.00 176.95 178.46 3h42 n GLY 114 N -0.07 -0.54 0.00 0.98 0.00 -0.33 -4.61 105.19 100.62 3h42 n GLY 114 Ca -0.10 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.23 3h42 n GLY 114 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h42 n GLN 115 N -2.04 0.00 0.00 1.61 1.13 -1.26 -4.84 117.38 111.99 3h42 n GLN 115 Ca 0.07 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 3h42 n GLN 115 Cb 0.25 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.10 3h42 n GLN 115 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h42 n GLY 116 N 1.50 0.79 3.02 1.08 0.00 -1.26 -4.99 105.19 105.33 3h42 n GLY 116 Ca 0.05 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 3h42 n GLY 116 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h42 s THR 117 N -2.79 0.68 0.07 2.61 -1.32 -0.65 -4.83 115.64 109.41 3h42 s THR 117 Ca 0.00 -0.39 -0.19 0.00 -1.21 0.00 0.00 61.69 59.91 3h42 s THR 117 Cb 0.00 -0.57 -0.07 0.00 -1.51 0.00 0.00 72.50 70.35 3h42 s THR 117 CO 0.00 0.18 0.55 -0.32 -2.21 0.00 0.00 174.62 172.82 3h42 s MET 118 N -0.24 4.16 -0.08 7.08 1.75 -1.26 -1.09 119.30 129.61 3h42 s MET 118 Ca 0.03 0.69 -0.01 0.00 -1.25 0.00 0.00 55.69 55.16 3h42 s MET 118 Cb -0.03 -3.22 0.03 0.00 2.84 0.00 0.00 34.83 34.45 3h42 s MET 118 CO -0.00 0.63 -0.04 0.08 -0.65 0.00 0.00 175.02 175.04 3h42 s VAL 119 N -1.13 0.67 -0.11 10.11 1.01 -0.52 -1.68 120.40 128.76 3h42 s VAL 119 Ca 0.29 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.20 3h42 s VAL 119 Cb -0.19 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 3h42 s VAL 119 CO 0.18 0.30 -0.19 -0.89 0.00 0.00 0.00 175.10 174.51 3h42 s THR 120 N 1.68 2.54 -0.28 3.92 2.01 -0.25 -1.15 115.64 124.10 3h42 s THR 120 Ca 0.02 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.17 3h42 s THR 120 Cb -0.13 -2.02 0.05 0.00 0.01 0.00 0.00 72.50 70.41 3h42 s THR 120 CO -0.05 0.54 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.69 3h42 s VAL 121 N 0.31 2.68 -0.05 3.82 1.01 -1.26 -1.20 120.40 125.71 3h42 s VAL 121 Ca -0.14 -1.45 -0.09 0.00 0.00 0.00 0.00 61.98 60.29 3h42 s VAL 121 Cb -0.17 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.69 3h42 s VAL 121 CO 0.07 -0.06 0.22 -0.55 0.00 0.00 0.00 175.10 174.79 3h42 s SER 122 N 1.20 -0.16 0.02 3.32 0.15 -0.46 -4.27 113.70 113.51 3h42 s SER 122 Ca -0.06 0.20 0.19 0.00 0.70 0.00 0.00 55.95 56.97 3h42 s SER 122 Cb -0.20 0.37 0.79 0.00 -1.71 0.00 0.00 66.02 65.27 3h42 s SER 122 CO -0.03 -0.24 1.59 -1.54 1.20 0.00 0.00 173.24 174.22 3h42 n SER 123 N 2.17 0.06 -4.80 5.45 3.41 -1.26 -4.02 113.62 114.62 3h42 n SER 123 Ca -0.17 0.51 -0.38 0.00 -0.26 0.00 0.00 58.87 58.57 3h42 n SER 123 Cb 0.57 -0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 3h42 n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h42 s ALA 124 N -3.02 3.60 0.64 7.33 0.00 -1.26 -5.02 121.76 124.03 3h42 s ALA 124 Ca 0.08 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 3h42 s ALA 124 Cb 0.12 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 3h42 s ALA 124 CO 0.34 0.35 1.04 -1.12 0.00 0.00 0.00 175.76 176.37 3h42 s SER 125 N -0.76 5.92 0.41 0.00 0.01 -1.26 -4.99 113.70 113.03 3h42 s SER 125 Ca 0.27 1.26 -0.25 0.00 1.31 0.00 0.00 55.95 58.54 3h42 s SER 125 Cb -0.18 -2.23 -0.08 0.00 0.21 0.00 0.00 66.02 63.74 3h42 s SER 125 CO 0.16 -1.04 1.23 0.28 0.41 0.00 0.00 173.24 174.28 3h42 s THR 126 N -3.22 2.88 -0.03 1.44 -1.32 -1.26 -4.86 115.64 109.27 3h42 s THR 126 Ca 0.56 0.75 -0.01 0.00 -1.21 0.00 0.00 61.69 61.78 3h42 s THR 126 Cb -0.11 -3.42 0.03 0.00 -1.51 0.00 0.00 72.50 67.49 3h42 s THR 126 CO 0.52 0.08 0.05 -0.75 -2.21 0.00 0.00 174.62 172.31 3h42 s LYS 127 N -2.34 -0.05 0.81 7.08 2.20 -0.29 -4.97 119.74 122.18 3h42 s LYS 127 Ca 0.58 0.29 -0.11 0.00 -0.36 0.00 0.00 55.97 56.38 3h42 s LYS 127 Cb -0.34 -0.40 0.08 0.00 -1.51 0.00 0.00 37.83 35.66 3h42 s LYS 127 CO 0.43 -0.26 1.09 0.20 -0.36 0.00 0.00 175.35 176.45 3h42 s GLY 128 N 1.69 1.65 0.38 5.54 0.00 -1.26 -1.60 107.32 113.72 3h42 s GLY 128 Ca -0.01 0.13 -0.18 0.00 0.00 0.00 0.00 44.72 44.66 3h42 s GLY 128 CO -0.03 0.53 0.86 2.56 0.00 0.00 0.00 173.10 177.01 3h42 s PRO 129 N -4.93 4.14 -0.03 2.90 0.04 -1.26 -4.54 135.00 131.31 3h42 s PRO 129 Ca 0.62 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 62.37 3h42 s PRO 129 Cb -0.17 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 3h42 s PRO 129 CO 0.56 0.05 0.62 -1.12 0.04 0.00 0.00 177.00 177.16 3h42 s SER 130 N -2.21 6.96 -0.17 6.66 0.01 -0.26 -4.88 113.70 119.81 3h42 s SER 130 Ca 0.59 1.15 -0.01 0.00 1.31 0.00 0.00 55.95 58.98 3h42 s SER 130 Cb -0.10 -2.38 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 3h42 s SER 130 CO 0.15 0.03 -0.10 -0.69 0.41 0.00 0.00 173.24 173.04 3h42 s VAL 131 N 0.15 3.08 0.04 3.43 1.01 -1.26 -0.14 120.40 126.71 3h42 s VAL 131 Ca 0.33 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.77 3h42 s VAL 131 Cb -0.18 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3h42 s VAL 131 CO 0.17 0.49 -0.25 -0.36 0.00 0.00 0.00 175.10 175.15 3h42 s PHE 132 N 0.85 2.16 0.25 5.22 0.08 -0.19 -4.96 117.98 121.39 3h42 s PHE 132 Ca -0.03 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.32 3h42 s PHE 132 Cb -0.15 -1.31 -0.09 0.00 -0.57 0.00 0.00 43.02 40.90 3h42 s PHE 132 CO 0.00 0.09 1.12 -1.25 -0.10 0.00 0.00 175.22 175.09 3h42 s PRO 133 N -1.13 4.60 -0.60 0.24 0.04 -1.26 0.28 135.00 137.17 3h42 s PRO 133 Ca 0.10 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 3h42 s PRO 133 Cb -0.10 -3.21 0.15 0.00 0.04 0.00 0.00 34.50 31.39 3h42 s PRO 133 CO 0.02 0.13 0.46 -0.51 0.04 0.00 0.00 177.00 177.13 3h42 s LEU 134 N -1.06 5.71 0.35 -3.56 1.43 0.12 -4.82 118.68 116.86 3h42 s LEU 134 Ca 0.47 -2.44 -0.27 0.00 -1.03 0.00 0.00 54.13 50.86 3h42 s LEU 134 Cb -0.32 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 43.83 3h42 s LEU 134 CO 0.39 -0.54 1.17 0.00 0.23 0.00 0.00 176.35 177.61 3h42 s ALA 135 N 0.56 3.29 0.43 4.21 0.00 -1.26 -1.36 121.76 127.63 3h42 s ALA 135 Ca 0.13 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 52.82 3h42 s ALA 135 Cb -0.20 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 3h42 s ALA 135 CO -0.04 -0.43 1.39 -1.25 0.00 0.00 0.00 175.76 175.43 3h42 s PRO 136 N -1.97 3.80 0.79 0.00 0.04 -1.26 -4.88 135.00 131.53 3h42 s PRO 136 Ca 0.52 2.34 -0.12 0.00 0.04 0.00 0.00 61.00 63.78 3h42 s PRO 136 Cb -0.32 -2.71 0.07 0.00 0.04 0.00 0.00 34.50 31.58 3h42 s PRO 136 CO 0.41 -0.69 1.12 0.45 0.04 0.00 0.00 177.00 178.34 3h42 s SER 137 N -0.57 4.12 -1.44 6.66 0.15 -1.26 -4.25 113.70 117.11 3h42 s SER 137 Ca 0.59 2.01 -0.11 0.00 0.70 0.00 0.00 55.95 59.15 3h42 s SER 137 Cb -0.42 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.39 3h42 s SER 137 CO 0.54 -2.30 2.35 -1.20 1.20 0.00 0.00 173.24 173.83 3h42 n SER 138 N -3.46 5.88 -0.51 5.45 7.64 -1.26 -4.97 113.62 122.38 3h42 n SER 138 Ca 0.11 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 57.11 3h42 n SER 138 Cb 0.52 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 3h42 n SER 138 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3h42 n LYS 139 N 4.39 0.70 -3.51 1.43 4.01 -1.26 -5.20 118.16 118.73 3h42 n LYS 139 Ca 0.57 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 58.09 3h42 n LYS 139 Cb 0.33 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.71 3h42 n LYS 139 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3h42 s GLY 143 N -0.42 0.48 0.00 0.72 0.00 -1.26 -5.06 107.32 101.78 3h42 s GLY 143 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3h42 s GLY 143 CO 0.00 2.15 0.00 0.61 0.00 0.00 0.00 173.10 175.86 3h42 n GLY 144 N 5.02 0.72 3.74 0.20 0.00 -1.26 -4.85 105.19 108.76 3h42 n GLY 144 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 3h42 n GLY 144 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h42 s THR 145 N 2.25 4.12 0.12 2.61 -4.23 -1.26 -1.26 115.64 117.98 3h42 s THR 145 Ca 0.00 -1.36 0.07 0.00 -1.18 0.00 0.00 61.69 59.22 3h42 s THR 145 Cb 0.00 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 3h42 s THR 145 CO 0.00 -0.19 -0.16 0.00 -0.54 0.00 0.00 174.62 173.72 3h42 s ALA 146 N -1.90 1.62 -0.14 3.99 0.00 0.19 -4.65 121.76 120.87 3h42 s ALA 146 Ca 0.30 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 3h42 s ALA 146 Cb -0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3h42 s ALA 146 CO 0.22 0.19 -0.01 0.00 0.00 0.00 0.00 175.76 176.16 3h42 s ALA 147 N -1.79 3.15 0.06 0.00 0.00 -1.26 -0.76 121.76 121.16 3h42 s ALA 147 Ca 0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 3h42 s ALA 147 Cb -0.07 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 3h42 s ALA 147 CO 0.04 0.33 0.03 -0.48 0.00 0.00 0.00 175.76 175.67 3h42 s LEU 148 N -0.02 2.22 0.00 0.00 0.05 -0.87 -4.04 118.68 116.01 3h42 s LEU 148 Ca 0.03 -0.91 0.00 0.00 0.05 0.00 0.00 54.13 53.30 3h42 s LEU 148 Cb -0.13 0.41 0.00 0.00 -2.05 0.00 0.00 46.19 44.42 3h42 s LEU 148 CO 0.02 -0.63 0.00 0.61 -0.55 0.00 0.00 176.35 175.80 3h42 n GLY 149 N 0.08 2.03 3.04 -3.48 0.00 -0.47 -0.21 105.19 106.19 3h42 n GLY 149 Ca -0.14 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 3h42 n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h42 s LEU 151 N -0.72 3.91 -0.39 0.00 2.96 0.14 -2.25 118.68 122.33 3h42 s LEU 151 Ca -0.08 0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3h42 s LEU 151 Cb -0.05 -2.05 0.09 0.00 0.50 0.00 0.00 46.19 44.69 3h42 s LEU 151 CO 0.01 0.04 0.19 -0.69 -1.32 0.00 0.00 176.35 174.57 3h42 s VAL 152 N 1.17 3.49 -0.08 1.68 1.01 -0.02 -1.02 120.40 126.63 3h42 s VAL 152 Ca 0.06 -1.77 -0.02 0.00 0.00 0.00 0.00 61.98 60.25 3h42 s VAL 152 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3h42 s VAL 152 CO 0.05 -0.54 0.04 -0.54 0.00 0.00 0.00 175.10 174.10 3h42 s LYS 153 N 1.24 3.06 -1.14 2.72 1.02 0.81 -1.23 119.74 126.22 3h42 s LYS 153 Ca 0.04 -0.38 -0.04 0.00 0.02 0.00 0.00 55.97 55.61 3h42 s LYS 153 Cb -0.22 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 3h42 s LYS 153 CO -0.02 0.70 0.91 -0.25 -0.92 0.00 0.00 175.35 175.78 3h42 n ASP 154 N 1.94 -4.29 -4.70 2.83 8.00 -0.30 -1.10 116.55 118.93 3h42 n ASP 154 Ca -0.18 -0.72 -0.24 0.00 0.71 0.00 0.00 54.79 54.36 3h42 n ASP 154 Cb 0.54 -4.90 -0.08 0.00 -0.02 0.00 0.00 41.12 36.66 3h42 n ASP 154 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3h42 s TYR 155 N -3.42 2.61 -0.28 1.24 -0.85 0.02 -4.48 117.35 112.18 3h42 s TYR 155 Ca 0.25 -0.51 -0.25 0.00 -0.52 0.00 0.00 57.07 56.04 3h42 s TYR 155 Cb -0.04 -1.76 0.12 0.00 0.38 0.00 0.00 41.96 40.66 3h42 s TYR 155 CO 0.75 0.30 1.02 0.12 -1.52 0.00 0.00 175.55 176.23 3h42 s PHE 156 N -2.55 -0.49 0.18 -3.49 2.19 -0.63 -0.14 117.98 113.06 3h42 s PHE 156 Ca 0.38 1.19 -0.02 0.00 0.33 0.00 0.00 56.93 58.81 3h42 s PHE 156 Cb 0.02 0.36 0.04 0.00 -1.31 0.00 0.00 43.02 42.13 3h42 s PHE 156 CO 0.22 -0.23 0.25 -0.35 1.83 0.00 0.00 175.22 176.93 3h42 n PRO 157 N 2.24 0.10 -1.19 10.12 -0.04 -1.26 -1.13 135.00 143.84 3h42 n PRO 157 Ca -0.13 -0.51 -0.31 0.00 -0.04 0.00 0.00 63.50 62.51 3h42 n PRO 157 Cb 0.56 -0.22 0.10 0.00 -0.04 0.00 0.00 33.50 33.90 3h42 n PRO 157 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3h42 s GLU 158 N -3.29 2.04 0.35 0.54 0.41 -1.26 -4.74 118.70 112.76 3h42 s GLU 158 Ca 0.15 1.28 0.07 0.00 -0.41 0.00 0.00 54.97 56.06 3h42 s GLU 158 Cb -0.01 -1.87 -0.01 0.00 -1.78 0.00 0.00 34.13 30.47 3h42 s GLU 158 CO 0.10 -1.82 0.42 -1.25 -0.49 0.00 0.00 175.26 172.22 3h42 s PRO 159 N -4.77 2.91 0.11 0.39 0.04 -1.26 -4.94 135.00 127.48 3h42 s PRO 159 Ca 0.63 -1.17 0.09 0.00 0.04 0.00 0.00 61.00 60.59 3h42 s PRO 159 Cb -0.19 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 3h42 s PRO 159 CO 0.55 0.01 -0.18 0.14 0.04 0.00 0.00 177.00 177.56 3h42 s VAL 160 N -2.26 2.86 0.06 -0.36 -7.23 -1.26 -4.44 120.40 107.77 3h42 s VAL 160 Ca 0.45 -1.48 0.05 0.00 -1.81 0.00 0.00 61.98 59.19 3h42 s VAL 160 Cb -0.08 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 3h42 s VAL 160 CO 0.30 0.11 -0.04 0.42 -0.31 0.00 0.00 175.10 175.57 3h42 s THR 161 N -1.14 3.76 -0.06 5.32 -4.23 -0.25 -4.97 115.64 114.08 3h42 s THR 161 Ca 0.18 -0.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 3h42 s THR 161 Cb -0.11 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 71.01 3h42 s THR 161 CO 0.10 0.21 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.57 3h42 s VAL 162 N -1.19 1.16 0.30 2.29 1.01 -1.26 -1.00 120.40 121.70 3h42 s VAL 162 Ca 0.22 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3h42 s VAL 162 Cb -0.11 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 3h42 s VAL 162 CO 0.14 0.36 -0.01 -0.94 0.00 0.00 0.00 175.10 174.64 3h42 s SER 163 N 0.58 2.62 -0.04 3.32 1.04 -0.47 -4.96 113.70 115.79 3h42 s SER 163 Ca -0.13 -1.26 0.05 0.00 0.48 0.00 0.00 55.95 55.08 3h42 s SER 163 Cb -0.15 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.82 3h42 s SER 163 CO 0.04 -0.45 -0.19 0.26 0.98 0.00 0.00 173.24 173.87 3h42 s TRP 164 N -3.12 1.87 -1.66 5.02 0.52 -1.26 0.45 118.94 120.76 3h42 s TRP 164 Ca 0.32 -0.52 -0.12 0.00 0.02 0.00 0.00 56.10 55.80 3h42 s TRP 164 Cb 0.06 -1.24 0.11 0.00 -1.15 0.00 0.00 33.47 31.25 3h42 s TRP 164 CO 0.13 -0.16 0.48 0.09 0.02 0.00 0.00 176.95 177.51 3h42 n ASN 165 N 3.04 -1.32 -2.34 2.95 3.02 0.12 -1.27 115.26 119.47 3h42 n ASN 165 Ca -0.18 -1.14 -0.19 0.00 -0.03 0.00 0.00 54.58 53.05 3h42 n ASN 165 Cb 0.53 -2.23 0.01 0.00 -0.61 0.00 0.00 39.78 37.48 3h42 n ASN 165 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3h42 n SER 166 N -2.72 -5.41 0.00 6.41 7.64 -1.26 -1.99 113.62 116.29 3h42 n SER 166 Ca -0.08 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.67 3h42 n SER 166 Cb 0.57 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 59.40 3h42 n SER 166 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h42 n GLY 167 N -1.21 0.99 0.24 0.23 0.00 -0.39 -4.89 105.19 100.16 3h42 n GLY 167 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3h42 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h42 h ALA 168 N 0.00 1.05 -3.43 4.61 0.00 -1.36 -3.40 119.26 116.73 3h42 h ALA 168 Ca 0.00 -0.14 -0.68 0.00 0.00 0.00 0.00 54.91 54.09 3h42 h ALA 168 Cb 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 17.79 17.44 3h42 h ALA 168 CO 0.00 0.19 -0.72 -1.17 0.00 0.00 0.00 179.25 177.54 3h42 s LEU 169 N -6.70 3.59 0.00 0.00 2.96 -1.07 -4.90 118.68 112.56 3h42 s LEU 169 Ca 0.00 -1.12 0.00 0.00 -0.22 0.00 0.00 54.13 52.80 3h42 s LEU 169 Cb 0.10 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 45.11 3h42 s LEU 169 CO 0.60 -0.20 0.00 0.35 -1.32 0.00 0.00 176.35 175.78 3h42 n THR 170 N 4.63 0.00 -2.33 3.68 -2.24 -1.26 -4.14 114.28 112.62 3h42 n THR 170 Ca -0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3h42 n THR 170 Cb 0.45 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 68.04 3h42 n THR 170 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3h42 s SER 171 N -2.39 6.98 0.00 3.42 0.15 -1.26 -2.83 113.70 117.78 3h42 s SER 171 Ca 0.00 2.11 0.00 0.00 0.70 0.00 0.00 55.95 58.76 3h42 s SER 171 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3h42 s SER 171 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.50 3h42 n GLY 172 N 3.34 0.81 3.69 9.45 0.00 -1.26 -4.75 105.19 116.46 3h42 n GLY 172 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3h42 n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h42 s VAL 173 N -3.21 4.96 -0.20 1.61 1.01 -1.13 -1.18 120.40 122.26 3h42 s VAL 173 Ca 0.00 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.52 3h42 s VAL 173 Cb 0.00 -4.10 0.06 0.00 0.00 0.00 0.00 36.38 32.34 3h42 s VAL 173 CO 0.00 0.14 0.00 -2.28 0.00 0.00 0.00 175.10 172.96 3h42 s HIS 174 N 1.48 1.47 -0.29 5.22 2.46 0.16 -4.99 115.29 120.80 3h42 s HIS 174 Ca 0.38 -1.13 -0.12 0.00 0.47 0.00 0.00 55.06 54.67 3h42 s HIS 174 Cb -0.17 -1.20 -0.04 0.00 -0.13 0.00 0.00 32.58 31.03 3h42 s HIS 174 CO 0.16 -0.65 0.24 0.99 -2.47 0.00 0.00 174.74 173.01 3h42 s THR 175 N 1.71 5.27 0.35 0.89 2.01 -1.26 -0.78 115.64 123.83 3h42 s THR 175 Ca -0.02 0.22 -0.16 0.00 0.31 0.00 0.00 61.69 62.04 3h42 s THR 175 Cb -0.17 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 3h42 s THR 175 CO -0.07 0.19 0.79 -0.36 -0.69 0.00 0.00 174.62 174.48 3h42 s PHE 176 N 1.84 3.36 0.43 4.92 0.40 0.32 -4.99 117.98 124.27 3h42 s PHE 176 Ca 0.09 1.30 -0.26 0.00 -0.60 0.00 0.00 56.93 57.46 3h42 s PHE 176 Cb -0.16 -2.61 -0.09 0.00 0.51 0.00 0.00 43.02 40.67 3h42 s PHE 176 CO 0.11 0.03 1.43 -2.14 0.70 0.00 0.00 175.22 175.34 3h42 s PRO 177 N -3.09 3.81 0.63 0.24 0.02 -1.26 -4.35 135.00 131.00 3h42 s PRO 177 Ca 0.56 2.42 -0.17 0.00 0.02 0.00 0.00 61.00 63.83 3h42 s PRO 177 Cb -0.10 -2.74 -0.01 0.00 0.02 0.00 0.00 34.50 31.67 3h42 s PRO 177 CO 0.17 -0.72 1.16 0.00 -0.33 0.00 0.00 177.00 177.28 3h42 s ALA 178 N -1.19 2.47 0.04 -1.55 0.00 -1.26 -4.81 121.76 115.45 3h42 s ALA 178 Ca 0.59 0.79 -0.09 0.00 0.00 0.00 0.00 51.96 53.25 3h42 s ALA 178 Cb -0.44 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 3h42 s ALA 178 CO 0.57 -1.26 0.35 0.54 0.00 0.00 0.00 175.76 175.97 3h42 s VAL 179 N -1.95 5.16 -0.26 0.00 0.11 0.45 -4.94 120.40 118.97 3h42 s VAL 179 Ca 0.72 0.42 -0.12 0.00 -2.93 0.00 0.00 61.98 60.07 3h42 s VAL 179 Cb -0.25 -3.62 -0.05 0.00 -1.53 0.00 0.00 36.38 30.93 3h42 s VAL 179 CO 0.37 0.36 0.24 -0.22 -3.33 0.00 0.00 175.10 172.52 3h42 s LEU 180 N -1.72 4.06 0.42 2.54 2.96 -1.26 -2.16 118.68 123.51 3h42 s LEU 180 Ca 0.30 0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 54.22 3h42 s LEU 180 Cb -0.14 -2.21 -0.07 0.00 0.50 0.00 0.00 46.19 44.27 3h42 s LEU 180 CO 0.16 -0.05 0.80 -1.10 -1.32 0.00 0.00 176.35 174.84 3h42 s GLN 181 N 1.63 3.81 0.44 1.98 -0.21 0.32 -4.94 119.66 122.69 3h42 s GLN 181 Ca 0.10 0.54 0.27 0.00 0.02 0.00 0.00 55.36 56.29 3h42 s GLN 181 Cb -0.15 -2.35 1.33 0.00 1.00 0.00 0.00 33.01 32.83 3h42 s GLN 181 CO 0.09 -0.07 1.71 0.77 -2.12 0.00 0.00 175.29 175.67 3h42 h SER 182 N 1.22 0.28 0.51 5.90 0.02 -1.98 0.50 113.55 119.99 3h42 h SER 182 Ca -0.47 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3h42 h SER 182 Cb 1.19 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3h42 h SER 182 CO 0.63 -0.04 0.00 -1.54 -1.14 0.00 0.00 176.83 174.75 3h42 n SER 183 N -4.55 0.47 0.00 3.07 3.41 -1.26 -4.85 113.62 109.91 3h42 n SER 183 Ca 0.31 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 3h42 n SER 183 Cb 1.20 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3h42 n SER 183 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h42 n GLY 184 N -0.32 0.78 3.95 5.00 0.00 0.17 -5.06 105.19 109.71 3h42 n GLY 184 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3h42 n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h42 s LEU 185 N 0.00 4.12 0.10 0.99 1.43 -1.26 -4.83 118.68 119.24 3h42 s LEU 185 Ca 0.00 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.44 3h42 s LEU 185 Cb 0.00 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3h42 s LEU 185 CO 0.00 -0.22 0.04 -0.31 0.23 0.00 0.00 176.35 176.09 3h42 s TYR 186 N -2.19 3.06 0.01 0.29 2.02 0.80 -0.52 117.35 120.83 3h42 s TYR 186 Ca 0.38 0.00 0.01 0.00 -0.37 0.00 0.00 57.07 57.09 3h42 s TYR 186 Cb -0.09 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 3h42 s TYR 186 CO 0.33 0.50 -0.03 -1.12 -1.57 0.00 0.00 175.55 173.66 3h42 s SER 187 N -2.45 0.36 0.26 2.29 0.01 -0.92 -0.80 113.70 112.45 3h42 s SER 187 Ca 0.28 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.27 3h42 s SER 187 Cb -0.12 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 3h42 s SER 187 CO 0.20 -0.12 0.16 -1.48 0.41 0.00 0.00 173.24 172.41 3h42 s LEU 188 N -0.79 1.47 0.02 2.44 0.05 -0.36 -0.41 118.68 121.11 3h42 s LEU 188 Ca -0.07 -1.50 0.04 0.00 0.05 0.00 0.00 54.13 52.65 3h42 s LEU 188 Cb -0.05 0.31 -0.02 0.00 -2.05 0.00 0.00 46.19 44.38 3h42 s LEU 188 CO -0.00 -0.88 -0.13 -0.44 -0.55 0.00 0.00 176.35 174.35 3h42 s SER 189 N -3.28 1.56 -0.09 1.48 0.01 -1.26 -0.84 113.70 111.27 3h42 s SER 189 Ca 0.38 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 57.29 3h42 s SER 189 Cb 0.06 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.17 3h42 s SER 189 CO 0.17 0.06 -0.21 -0.55 0.41 0.00 0.00 173.24 173.12 3h42 s SER 190 N -0.89 2.73 0.08 2.44 0.15 -0.95 -0.52 113.70 116.73 3h42 s SER 190 Ca 0.02 -0.49 0.08 0.00 0.70 0.00 0.00 55.95 56.26 3h42 s SER 190 Cb -0.07 -1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 62.96 3h42 s SER 190 CO 0.01 0.12 -0.21 -0.69 1.20 0.00 0.00 173.24 173.66 3h42 s VAL 191 N 0.47 1.73 -0.02 4.45 1.01 0.04 -0.98 120.40 127.11 3h42 s VAL 191 Ca -0.17 -1.40 0.04 0.00 0.00 0.00 0.00 61.98 60.46 3h42 s VAL 191 Cb -0.17 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3h42 s VAL 191 CO 0.07 0.08 -0.14 0.54 0.00 0.00 0.00 175.10 175.65 3h42 s VAL 192 N -0.98 1.11 -0.23 2.92 0.11 0.71 0.35 120.40 124.40 3h42 s VAL 192 Ca 0.07 -0.58 -0.13 0.00 -2.93 0.00 0.00 61.98 58.41 3h42 s VAL 192 Cb -0.09 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 3h42 s VAL 192 CO 0.03 0.32 0.27 -0.89 -3.33 0.00 0.00 175.10 171.50 3h42 s THR 193 N -0.17 5.28 0.14 5.04 2.01 -0.32 -2.05 115.64 125.56 3h42 s THR 193 Ca 0.02 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.46 3h42 s THR 193 Cb -0.07 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3h42 s THR 193 CO 0.00 0.29 -0.05 0.68 -0.69 0.00 0.00 174.62 174.86 3h42 s VAL 194 N 1.25 0.78 0.13 3.82 -7.23 0.06 -4.66 120.40 114.56 3h42 s VAL 194 Ca 0.13 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.01 3h42 s VAL 194 Cb -0.14 -1.88 -0.10 0.00 0.56 0.00 0.00 36.38 34.81 3h42 s VAL 194 CO 0.06 -0.70 1.74 -2.84 -0.31 0.00 0.00 175.10 173.05 3h42 s PRO 195 N -3.85 4.16 0.33 4.82 0.02 -1.26 0.53 135.00 139.75 3h42 s PRO 195 Ca 0.17 2.51 0.25 0.00 0.02 0.00 0.00 61.00 63.96 3h42 s PRO 195 Cb 0.05 -3.44 1.17 0.00 0.02 0.00 0.00 34.50 32.31 3h42 s PRO 195 CO -0.00 -0.77 1.76 0.66 -0.33 0.00 0.00 177.00 178.31 3h42 h SER 196 N 7.96 0.00 1.26 2.53 4.64 -1.44 -1.43 113.55 127.06 3h42 h SER 196 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.79 3h42 h SER 196 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3h42 h SER 196 CO 0.94 0.00 -0.40 0.77 -0.87 0.00 0.00 176.83 177.27 3h42 h SER 197 N 0.00 0.00 1.85 4.97 4.64 -1.89 -3.07 113.55 120.05 3h42 h SER 197 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3h42 h SER 197 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3h42 h SER 197 CO 0.00 0.40 -0.04 0.77 -0.87 0.00 0.00 176.83 177.08 3h42 h SER 198 N 0.00 0.00 -2.25 4.97 4.64 -1.64 -3.45 113.55 115.82 3h42 h SER 198 Ca -0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.73 3h42 h SER 198 Cb 1.13 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.27 3h42 h SER 198 CO 0.05 0.04 0.88 0.18 -0.87 0.00 0.00 176.83 177.12 3h42 n LEU 199 N -3.11 3.24 0.00 5.97 4.77 -1.16 -1.45 117.00 125.25 3h42 n LEU 199 Ca 0.03 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 3h42 n LEU 199 Cb 0.52 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 3h42 n LEU 199 CO 0.34 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3h42 n GLY 200 N 3.67 0.80 0.11 -0.72 0.00 -1.26 -4.79 105.19 103.00 3h42 n GLY 200 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3h42 n GLY 200 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h42 n THR 201 N -2.00 0.00 -2.99 2.61 -2.24 -0.72 -5.02 114.28 103.92 3h42 n THR 201 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3h42 n THR 201 Cb 0.00 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 67.60 3h42 n THR 201 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3h42 s GLN 202 N -1.97 4.48 -0.06 -0.78 2.00 -0.53 -5.06 119.66 117.75 3h42 s GLN 202 Ca 0.00 1.04 -0.11 0.00 -2.00 0.00 0.00 55.36 54.29 3h42 s GLN 202 Cb 0.00 -3.38 -0.05 0.00 0.80 0.00 0.00 33.01 30.39 3h42 s GLN 202 CO 0.00 0.25 0.28 0.95 -0.50 0.00 0.00 175.29 176.27 3h42 s THR 203 N 0.08 5.25 -0.16 -0.34 -4.23 -1.26 -4.76 115.64 110.22 3h42 s THR 203 Ca 0.38 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 3h42 s THR 203 Cb -0.20 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.07 3h42 s THR 203 CO 0.22 0.59 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.42 3h42 s TYR 204 N -1.01 2.77 -0.09 3.99 1.51 -1.26 -4.96 117.35 118.31 3h42 s TYR 204 Ca 0.20 -1.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.14 3h42 s TYR 204 Cb -0.14 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 3h42 s TYR 204 CO 0.09 -0.52 -0.09 0.42 -1.11 0.00 0.00 175.55 174.33 3h42 s ILE 205 N 0.89 1.04 -0.11 2.71 1.01 -1.26 -0.01 121.20 125.47 3h42 s ILE 205 Ca -0.04 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 3h42 s ILE 205 Cb -0.15 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 3h42 s ILE 205 CO -0.02 0.36 0.31 0.00 0.00 0.00 0.00 174.94 175.59 3h42 s ASN 207 N -0.12 5.27 -0.23 0.00 -0.87 0.17 -1.95 114.94 117.21 3h42 s ASN 207 Ca 0.19 -1.32 -0.09 0.00 -1.57 0.00 0.00 52.86 50.06 3h42 s ASN 207 Cb -0.14 -1.85 -0.04 0.00 -0.02 0.00 0.00 41.25 39.20 3h42 s ASN 207 CO 0.07 -0.37 0.13 -0.69 -2.57 0.00 0.00 177.10 173.66 3h42 s VAL 208 N 1.35 5.07 -0.16 1.60 1.01 0.41 -1.37 120.40 128.31 3h42 s VAL 208 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3h42 s VAL 208 Cb -0.20 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3h42 s VAL 208 CO 0.01 0.37 -0.20 0.21 0.00 0.00 0.00 175.10 175.49 3h42 s ASN 209 N 1.02 3.05 -0.47 3.32 3.84 -0.17 -0.74 114.94 124.79 3h42 s ASN 209 Ca 0.06 -0.61 0.03 0.00 0.21 0.00 0.00 52.86 52.56 3h42 s ASN 209 Cb -0.14 -1.42 0.13 0.00 -0.55 0.00 0.00 41.25 39.27 3h42 s ASN 209 CO 0.04 0.03 0.23 -2.28 -2.79 0.00 0.00 177.10 172.33 3h42 s HIS 210 N 1.10 2.80 0.26 0.43 5.65 0.03 -1.09 115.29 124.48 3h42 s HIS 210 Ca -0.00 -2.89 -0.02 0.00 0.25 0.00 0.00 55.06 52.40 3h42 s HIS 210 Cb -0.14 -2.50 0.32 0.00 -1.18 0.00 0.00 32.58 29.08 3h42 s HIS 210 CO -0.08 -0.77 1.76 0.87 -0.65 0.00 0.00 174.74 175.86 3h42 h LYS 211 N 6.70 0.81 -0.90 2.88 1.57 -1.80 -1.96 116.57 123.87 3h42 h LYS 211 Ca -0.06 -0.22 0.24 0.00 -1.87 0.00 0.00 60.65 58.74 3h42 h LYS 211 Cb 0.92 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 3h42 h LYS 211 CO 0.61 0.81 0.62 -1.35 -0.57 0.00 0.00 179.45 179.57 3h42 h PRO 212 N 0.76 0.19 -0.13 3.15 0.11 -1.90 -0.27 132.00 133.90 3h42 h PRO 212 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3h42 h PRO 212 Cb 0.45 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3h42 h PRO 212 CO 0.02 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 176.80 3h42 n SER 213 N -4.40 2.40 -3.61 -2.05 3.41 -1.08 -4.95 113.62 103.33 3h42 n SER 213 Ca 0.19 -1.68 -0.24 0.00 -0.26 0.00 0.00 58.87 56.88 3h42 n SER 213 Cb 0.84 -0.08 0.08 0.00 -0.26 0.00 0.00 64.21 64.79 3h42 n SER 213 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3h42 n ASN 214 N 0.74 -5.86 -4.34 4.04 4.13 -0.11 -4.88 115.26 108.98 3h42 n ASN 214 Ca 0.10 -0.57 -0.34 0.00 1.68 0.00 0.00 54.58 55.45 3h42 n ASN 214 Cb 0.37 -4.95 -0.14 0.00 -1.54 0.00 0.00 39.78 33.52 3h42 n ASN 214 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3h42 s THR 215 N -3.32 3.12 -0.07 3.41 2.01 -0.88 -5.02 115.64 114.88 3h42 s THR 215 Ca 0.54 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.95 3h42 s THR 215 Cb -0.24 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 3h42 s THR 215 CO 0.74 0.49 -0.13 -0.54 -0.69 0.00 0.00 174.62 174.49 3h42 s LYS 216 N 0.81 2.72 -0.05 4.92 1.02 -1.26 -0.79 119.74 127.11 3h42 s LYS 216 Ca -0.04 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.30 3h42 s LYS 216 Cb -0.15 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3h42 s LYS 216 CO 0.01 0.54 -0.12 0.08 -0.92 0.00 0.00 175.35 174.94 3h42 s VAL 217 N -0.51 1.05 -0.15 3.17 1.01 0.08 -5.00 120.40 120.05 3h42 s VAL 217 Ca 0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 3h42 s VAL 217 Cb -0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 3h42 s VAL 217 CO 0.02 0.33 -0.09 -1.81 0.00 0.00 0.00 175.10 173.54 3h42 s ASP 218 N 0.45 4.27 -0.09 3.32 1.01 -1.26 -0.44 116.67 123.93 3h42 s ASP 218 Ca -0.09 -0.28 -0.00 0.00 0.71 0.00 0.00 52.55 52.88 3h42 s ASP 218 Cb -0.13 -1.68 0.02 0.00 1.01 0.00 0.00 42.92 42.14 3h42 s ASP 218 CO 0.02 0.14 -0.06 -0.75 0.21 0.00 0.00 175.17 174.73 3h42 s LYS 219 N 0.54 1.25 0.07 8.23 2.47 -0.82 -4.99 119.74 126.50 3h42 s LYS 219 Ca -0.06 -0.16 -0.28 0.00 -1.56 0.00 0.00 55.97 53.91 3h42 s LYS 219 Cb -0.15 -1.36 -0.05 0.00 -1.46 0.00 0.00 37.83 34.81 3h42 s LYS 219 CO 0.03 -0.24 0.87 0.21 0.16 0.00 0.00 175.35 176.39 3h42 s LYS 220 N 1.62 4.60 -0.25 4.03 2.20 -1.26 -1.21 119.74 129.47 3h42 s LYS 220 Ca 0.02 1.27 -0.04 0.00 -0.36 0.00 0.00 55.97 56.86 3h42 s LYS 220 Cb -0.13 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3h42 s LYS 220 CO -0.06 0.23 -0.01 0.08 -0.36 0.00 0.00 175.35 175.23 3h42 s VAL 221 N 0.04 3.46 0.20 4.02 1.01 0.99 -4.90 120.40 125.22 3h42 s VAL 221 Ca 0.43 -0.67 0.11 0.00 0.00 0.00 0.00 61.98 61.85 3h42 s VAL 221 Cb -0.22 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3h42 s VAL 221 CO 0.27 0.26 -0.23 -1.61 0.00 0.00 0.00 175.10 173.78 3h42 s GLU 222 N 1.45 1.53 0.65 2.72 2.02 -1.26 -4.27 118.70 121.53 3h42 s GLU 222 Ca 0.03 -1.55 -0.18 0.00 0.02 0.00 0.00 54.97 53.30 3h42 s GLU 222 Cb -0.16 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.24 3h42 s GLU 222 CO -0.02 0.39 1.29 -2.14 0.02 0.00 0.00 175.26 174.80 3h42 s PRO 223 N -2.76 2.57 0.00 0.39 0.02 -1.26 -4.47 135.00 129.48 3h42 s PRO 223 Ca 0.21 2.05 0.16 0.00 0.02 0.00 0.00 61.00 63.44 3h42 s PRO 223 Cb -0.08 -1.85 0.95 0.00 0.02 0.00 0.00 34.50 33.54 3h42 s PRO 223 CO 0.10 -1.58 1.36 1.63 -0.33 0.00 0.00 177.00 178.17