#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m2k n ASP 2 N 0.00 2.04 0.20 7.83 3.85 -1.26 -5.00 116.55 124.22 1m2k n ASP 2 Ca 0.00 -2.43 0.07 0.00 -0.71 0.00 0.00 54.79 51.72 1m2k n ASP 2 Cb 0.00 -0.27 0.42 0.00 -1.35 0.00 0.00 41.12 39.91 1m2k n ASP 2 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1m2k h GLU 3 N 0.00 0.00 -0.47 0.11 5.08 -2.05 -2.55 114.58 114.70 1m2k h GLU 3 Ca -0.26 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 1m2k h GLU 3 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1m2k h GLU 3 CO 0.38 0.32 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.37 1m2k h LYS 4 N 0.00 0.91 -0.16 2.33 3.64 -1.99 -0.76 116.57 120.54 1m2k h LYS 4 Ca -0.00 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.00 1m2k h LYS 4 Cb 0.74 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1m2k h LYS 4 CO 0.04 1.00 0.01 1.25 -2.27 0.00 0.00 179.45 179.48 1m2k h LEU 5 N 0.75 0.28 -1.41 5.20 7.12 -1.90 -0.73 115.31 124.61 1m2k h LEU 5 Ca 0.12 -0.30 -0.01 0.00 0.13 0.00 0.00 57.88 57.82 1m2k h LEU 5 Cb 0.67 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.70 1m2k h LEU 5 CO 0.05 0.50 0.23 -0.07 -0.13 0.00 0.00 178.44 179.02 1m2k h LEU 6 N 0.04 0.56 -0.25 2.25 3.38 -1.39 -2.20 115.31 117.70 1m2k h LEU 6 Ca 0.05 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1m2k h LEU 6 Cb 0.36 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1m2k h LEU 6 CO 0.01 0.47 -0.20 0.50 0.09 0.00 0.00 178.44 179.31 1m2k h LYS 7 N 0.63 0.57 -0.88 1.13 3.64 -0.92 -0.77 116.57 119.97 1m2k h LYS 7 Ca 0.16 -0.28 0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1m2k h LYS 7 Cb 0.05 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 1m2k h LYS 7 CO -0.02 0.86 0.53 1.15 -2.27 0.00 0.00 179.45 179.70 1m2k h THR 8 N 0.28 0.95 0.21 1.00 2.02 -0.60 0.33 112.91 117.10 1m2k h THR 8 Ca 0.04 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1m2k h THR 8 Cb 0.74 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1m2k h THR 8 CO 0.05 0.16 -0.10 0.40 0.37 0.00 0.00 175.52 176.40 1m2k h ILE 9 N 0.90 0.28 -0.84 3.11 2.04 -1.35 -3.01 117.51 118.64 1m2k h ILE 9 Ca 0.41 -0.93 0.14 0.00 1.00 0.00 0.00 64.86 65.49 1m2k h ILE 9 Cb 0.33 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1m2k h ILE 9 CO -0.23 0.08 0.55 0.00 0.00 0.00 0.00 178.15 178.55 1m2k h ALA 10 N -0.86 1.92 -0.60 1.87 0.00 -1.07 -1.78 119.26 118.75 1m2k h ALA 10 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1m2k h ALA 10 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1m2k h ALA 10 CO 0.05 -0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.54 1m2k n GLU 11 N -4.53 2.47 -1.97 0.00 1.02 0.10 -4.98 120.64 112.75 1m2k n GLU 11 Ca 0.16 -2.27 -0.36 0.00 -0.02 0.00 0.00 57.16 54.67 1m2k n GLU 11 Cb 0.48 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.44 1m2k n GLU 11 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1m2k s SER 12 N -1.08 5.09 -0.14 1.62 1.04 -0.67 -4.96 113.70 114.60 1m2k s SER 12 Ca 0.42 2.44 0.09 0.00 0.48 0.00 0.00 55.95 59.38 1m2k s SER 12 Cb 0.22 -2.60 -0.23 0.00 0.10 0.00 0.00 66.02 63.51 1m2k s SER 12 CO 0.29 -1.66 0.30 0.29 0.98 0.00 0.00 173.24 173.44 1m2k n LYS 13 N -1.63 0.67 -3.21 4.02 5.02 -1.26 -4.79 118.16 116.98 1m2k n LYS 13 Ca 0.14 0.17 -0.11 0.00 -2.02 0.00 0.00 58.31 56.49 1m2k n LYS 13 Cb 0.49 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 1m2k n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1m2k s TYR 14 N -2.55 -0.73 -0.04 2.13 5.04 -1.26 -5.02 117.35 114.92 1m2k s TYR 14 Ca -0.14 -0.71 -0.15 0.00 -2.44 0.00 0.00 57.07 53.63 1m2k s TYR 14 Cb 0.07 -0.15 -0.05 0.00 0.35 0.00 0.00 41.96 42.18 1m2k s TYR 14 CO 0.78 -1.06 0.41 -1.17 -1.34 0.00 0.00 175.55 173.17 1m2k s LEU 15 N 1.24 4.41 0.36 6.97 0.20 -1.24 -1.86 118.68 128.76 1m2k s LEU 15 Ca 0.21 0.89 0.04 0.00 0.69 0.00 0.00 54.13 55.96 1m2k s LEU 15 Cb -0.07 -2.59 -0.05 0.00 -0.43 0.00 0.00 46.19 43.05 1m2k s LEU 15 CO -0.06 0.23 0.08 0.68 -0.29 0.00 0.00 176.35 176.99 1m2k s VAL 16 N -0.52 0.95 0.02 1.68 -7.23 -0.69 -0.63 120.40 113.98 1m2k s VAL 16 Ca 0.24 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1m2k s VAL 16 Cb -0.16 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 1m2k s VAL 16 CO 0.12 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 174.93 1m2k s ALA 17 N -3.26 0.00 -0.13 1.32 0.00 -0.81 -1.56 121.76 117.31 1m2k s ALA 17 Ca 0.30 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1m2k s ALA 17 Cb 0.06 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1m2k s ALA 17 CO 0.14 -0.20 -0.13 -1.17 0.00 0.00 0.00 175.76 174.41 1m2k s LEU 18 N -1.56 1.61 0.23 0.00 2.96 0.08 -0.17 118.68 121.83 1m2k s LEU 18 Ca -0.14 -0.44 0.12 0.00 -0.22 0.00 0.00 54.13 53.45 1m2k s LEU 18 Cb -0.08 -1.10 -0.05 0.00 0.50 0.00 0.00 46.19 45.47 1m2k s LEU 18 CO -0.01 -0.05 -0.22 0.42 -1.32 0.00 0.00 176.35 175.17 1m2k s THR 19 N 1.40 2.44 0.09 3.68 -4.23 0.09 -1.57 115.64 117.54 1m2k s THR 19 Ca 0.02 -2.19 0.01 0.00 -1.18 0.00 0.00 61.69 58.35 1m2k s THR 19 Cb -0.13 -2.22 -0.00 0.00 1.34 0.00 0.00 72.50 71.48 1m2k s THR 19 CO -0.08 -0.24 0.03 0.61 -0.54 0.00 0.00 174.62 174.39 1m2k n GLY 20 N -0.14 3.94 0.35 3.99 0.00 -0.39 -1.61 105.19 111.34 1m2k n GLY 20 Ca -0.09 -2.01 0.18 0.00 0.00 0.00 0.00 46.02 44.11 1m2k n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m2k h ALA 21 N 1.13 1.82 0.00 4.61 0.00 -1.78 -2.23 119.26 122.83 1m2k h ALA 21 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1m2k h ALA 21 Cb 0.27 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1m2k h ALA 21 CO 0.12 -0.42 -0.08 0.78 0.00 0.00 0.00 179.25 179.65 1m2k h GLY 22 N 0.00 0.00 1.83 0.00 0.00 -0.99 -1.96 103.07 101.95 1m2k h GLY 22 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1m2k h GLY 22 CO -0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 1m2k n VAL 23 N -4.04 0.32 0.44 4.60 0.24 -0.84 -2.92 118.33 116.14 1m2k n VAL 23 Ca -0.03 0.08 0.05 0.00 -2.04 0.00 0.00 64.34 62.41 1m2k n VAL 23 Cb 0.17 -0.67 0.02 0.00 -1.47 0.00 0.00 33.84 31.89 1m2k n VAL 23 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1m2k n SER 24 N -1.42 1.56 -0.34 -1.34 7.64 -0.75 -4.57 113.62 114.40 1m2k n SER 24 Ca 0.08 -1.28 -0.00 0.00 1.01 0.00 0.00 58.87 58.68 1m2k n SER 24 Cb 0.24 0.23 0.16 0.00 -1.01 0.00 0.00 64.21 63.83 1m2k n SER 24 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1m2k h ALA 25 N 1.92 1.35 0.00 -0.43 0.00 -1.39 -1.27 119.26 119.44 1m2k h ALA 25 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1m2k h ALA 25 Cb 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1m2k h ALA 25 CO 0.00 0.58 0.00 0.39 0.00 0.00 0.00 179.25 180.22 1m2k n GLU 26 N -4.41 0.73 -0.09 0.00 1.02 -1.26 -1.45 120.64 115.17 1m2k n GLU 26 Ca 0.12 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1m2k n GLU 26 Cb 0.06 -1.22 0.12 0.00 -0.02 0.00 0.00 31.44 30.38 1m2k n GLU 26 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1m2k n SER 27 N -0.72 2.68 0.00 1.62 7.64 -0.49 -4.82 113.62 119.53 1m2k n SER 27 Ca 0.08 -1.78 0.00 0.00 1.01 0.00 0.00 58.87 58.17 1m2k n SER 27 Cb 0.03 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1m2k n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m2k n GLY 28 N 0.89 0.75 3.65 0.23 0.00 -0.53 -4.55 105.19 105.64 1m2k n GLY 28 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1m2k n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1m2k s ILE 29 N -2.43 5.15 0.61 -0.61 -1.09 -1.16 -5.04 121.20 116.62 1m2k s ILE 29 Ca 0.00 0.79 -0.19 0.00 -2.23 0.00 0.00 60.65 59.03 1m2k s ILE 29 Cb 0.00 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 1m2k s ILE 29 CO 0.00 0.19 1.23 -2.84 -1.23 0.00 0.00 174.94 172.29 1m2k s PRO 30 N 1.64 2.88 0.85 2.79 0.02 -1.26 -3.68 135.00 138.23 1m2k s PRO 30 Ca 0.20 1.87 -0.07 0.00 0.02 0.00 0.00 61.00 63.03 1m2k s PRO 30 Cb -0.15 -1.91 0.18 0.00 0.02 0.00 0.00 34.50 32.64 1m2k s PRO 30 CO 0.09 -1.29 1.16 0.95 -0.33 0.00 0.00 177.00 177.57 1m2k s THR 31 N -1.56 2.00 -0.17 0.99 -4.23 -1.26 -4.86 115.64 106.56 1m2k s THR 31 Ca 0.78 -0.39 -0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1m2k s THR 31 Cb -0.32 -2.61 -0.23 0.00 1.34 0.00 0.00 72.50 70.68 1m2k s THR 31 CO 0.34 0.00 0.17 0.49 -0.54 0.00 0.00 174.62 175.08 1m2k n PHE 32 N -3.27 0.73 -4.33 3.99 3.72 -1.26 0.10 117.46 117.13 1m2k n PHE 32 Ca 0.17 0.17 -0.25 0.00 -0.05 0.00 0.00 57.45 57.49 1m2k n PHE 32 Cb 0.60 -1.10 -0.12 0.00 -0.94 0.00 0.00 39.48 37.92 1m2k n PHE 32 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1m2k s ARG 33 N -2.54 1.25 0.29 -1.08 0.52 -1.26 -0.43 118.95 115.69 1m2k s ARG 33 Ca -0.24 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 53.68 1m2k s ARG 33 Cb 0.07 -1.53 0.00 0.00 0.52 0.00 0.00 34.95 34.02 1m2k s ARG 33 CO 0.72 0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.80 1m2k n GLY 34 N 0.80 -1.79 3.68 -3.53 0.00 -1.26 -4.58 105.19 98.51 1m2k n GLY 34 Ca -0.17 -1.90 -0.55 0.00 0.00 0.00 0.00 46.02 43.40 1m2k n GLY 34 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m2k n LYS 35 N 0.00 1.33 -1.31 1.61 2.85 -1.26 -0.02 118.16 121.35 1m2k n LYS 35 Ca 0.00 0.48 -0.11 0.00 -1.05 0.00 0.00 58.31 57.64 1m2k n LYS 35 Cb 0.00 -2.18 -0.05 0.00 -0.65 0.00 0.00 35.03 32.15 1m2k n LYS 35 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1m2k n ASP 36 N 4.90 -5.21 -4.75 -5.58 10.43 -1.26 -4.78 116.55 110.31 1m2k n ASP 36 Ca 0.24 0.27 -0.41 0.00 2.57 0.00 0.00 54.79 57.45 1m2k n ASP 36 Cb 0.17 -3.65 -0.02 0.00 1.84 0.00 0.00 41.12 39.46 1m2k n ASP 36 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1m2k s GLY 37 N -2.52 2.27 0.45 0.44 0.00 0.97 -4.49 107.32 104.44 1m2k s GLY 37 Ca 0.00 1.51 0.18 0.00 0.00 0.00 0.00 44.72 46.41 1m2k s GLY 37 CO 0.00 2.44 1.93 1.41 0.00 0.00 0.00 173.10 178.88 1m2k h LEU 38 N 4.67 0.30 -0.08 0.66 3.38 -0.03 0.49 115.31 124.69 1m2k h LEU 38 Ca -0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1m2k h LEU 38 Cb 1.22 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1m2k h LEU 38 CO 0.77 0.15 -0.03 0.79 0.09 0.00 0.00 178.44 180.22 1m2k n TRP 39 N -4.45 0.00 0.44 1.13 5.03 0.42 -0.72 117.44 119.29 1m2k n TRP 39 Ca 0.14 0.00 0.11 0.00 3.03 0.00 0.00 57.50 60.79 1m2k n TRP 39 Cb 0.58 -0.18 0.04 0.00 -1.03 0.00 0.00 31.31 30.72 1m2k n TRP 39 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 1m2k n ASN 40 N -1.09 0.65 0.00 -0.99 3.02 0.16 -4.55 115.26 112.45 1m2k n ASN 40 Ca 0.17 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1m2k n ASN 40 Cb 0.22 0.63 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 1m2k n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1m2k n ARG 41 N -2.17 0.00 -1.99 3.52 1.74 -1.09 -5.04 116.66 111.63 1m2k n ARG 41 Ca 0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 1m2k n ARG 41 Cb 0.47 -0.35 0.05 0.00 -1.02 0.00 0.00 32.46 31.61 1m2k n ARG 41 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1m2k s TYR 42 N -0.95 3.24 -0.26 -1.55 1.51 0.10 -5.07 117.35 114.38 1m2k s TYR 42 Ca 0.00 0.91 -0.07 0.00 -1.01 0.00 0.00 57.07 56.90 1m2k s TYR 42 Cb 0.00 -3.07 -0.01 0.00 -0.11 0.00 0.00 41.96 38.77 1m2k s TYR 42 CO 0.00 -1.21 0.06 0.50 -1.11 0.00 0.00 175.55 173.79 1m2k s ARG 43 N -5.32 3.40 0.28 -0.62 3.52 -1.26 -4.34 118.95 114.61 1m2k s ARG 43 Ca 0.58 -0.64 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 1m2k s ARG 43 Cb -0.11 -3.30 0.56 0.00 -1.56 0.00 0.00 34.95 30.54 1m2k s ARG 43 CO 0.50 -0.29 1.83 -1.35 -0.81 0.00 0.00 175.30 175.18 1m2k h PRO 44 N 8.22 0.96 0.00 5.12 0.11 -1.92 -1.54 132.00 142.95 1m2k h PRO 44 Ca -0.36 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1m2k h PRO 44 Cb 1.15 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1m2k h PRO 44 CO 0.59 0.64 0.00 0.93 -0.21 0.00 0.00 178.00 179.95 1m2k h GLU 45 N 0.99 0.00 0.00 1.05 3.07 -1.95 0.10 114.58 117.85 1m2k h GLU 45 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1m2k h GLU 45 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1m2k h GLU 45 CO -0.27 0.00 -0.68 0.39 -1.40 0.00 0.00 179.01 177.05 1m2k n GLU 46 N -2.91 2.61 0.00 2.33 1.02 -0.60 -4.31 120.64 118.78 1m2k n GLU 46 Ca -0.03 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1m2k n GLU 46 Cb 0.07 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1m2k n GLU 46 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1m2k n LEU 47 N -1.35 2.50 -3.36 -4.62 4.77 -0.89 -4.78 117.00 109.27 1m2k n LEU 47 Ca 0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 1m2k n LEU 47 Cb 0.21 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1m2k n LEU 47 CO 0.26 0.41 0.34 0.00 -1.33 0.00 0.00 177.39 177.08 1m2k n ALA 48 N -2.40 4.58 -3.42 -1.18 0.00 0.31 -4.83 120.51 113.57 1m2k n ALA 48 Ca 0.00 -4.75 -0.14 0.00 0.00 0.00 0.00 53.44 48.56 1m2k n ALA 48 Cb 0.44 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 1m2k n ALA 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1m2k s ASN 49 N -2.63 -0.53 0.44 0.00 3.84 -1.25 -3.84 114.94 110.96 1m2k s ASN 49 Ca 0.42 0.99 0.10 0.00 0.21 0.00 0.00 52.86 54.58 1m2k s ASN 49 Cb 0.18 1.00 0.96 0.00 -0.55 0.00 0.00 41.25 42.84 1m2k s ASN 49 CO -0.05 -0.22 2.05 1.55 -2.79 0.00 0.00 177.10 177.64 1m2k h PRO 50 N 5.11 0.31 -0.26 0.43 0.13 -1.94 -0.23 132.00 135.56 1m2k h PRO 50 Ca -0.28 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.71 1m2k h PRO 50 Cb 1.17 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1m2k h PRO 50 CO 0.20 0.26 -0.29 1.96 -0.23 0.00 0.00 178.00 179.90 1m2k h GLN 51 N 0.32 0.66 -0.46 0.86 7.50 -1.96 -1.81 115.11 120.21 1m2k h GLN 51 Ca 0.08 -0.36 -0.05 0.00 0.50 0.00 0.00 58.65 58.83 1m2k h GLN 51 Cb 0.06 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 1m2k h GLN 51 CO -0.01 0.97 0.10 0.00 -1.50 0.00 0.00 178.83 178.38 1m2k h ALA 52 N 0.68 1.31 -0.20 3.87 0.00 -1.57 -0.28 119.26 123.08 1m2k h ALA 52 Ca 0.04 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1m2k h ALA 52 Cb 0.86 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1m2k h ALA 52 CO 0.07 0.48 -0.48 0.35 0.00 0.00 0.00 179.25 179.67 1m2k h PHE 53 N 0.67 0.63 -0.01 0.00 3.57 -0.93 -1.25 116.94 119.64 1m2k h PHE 53 Ca 0.15 -0.21 -0.16 0.00 3.53 0.00 0.00 57.97 61.29 1m2k h PHE 53 Cb 0.28 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1m2k h PHE 53 CO 0.01 0.90 -0.73 0.00 -2.23 0.00 0.00 178.31 176.27 1m2k h ALA 54 N 1.06 0.78 -0.00 2.41 0.00 -0.87 -2.26 119.26 120.38 1m2k h ALA 54 Ca 0.02 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 54.13 1m2k h ALA 54 Cb 1.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1m2k h ALA 54 CO 0.09 0.87 -0.61 -0.22 0.00 0.00 0.00 179.25 179.39 1m2k h LYS 55 N 0.04 0.42 -1.74 0.00 3.64 -0.90 -3.42 116.57 114.61 1m2k h LYS 55 Ca -0.01 -0.45 -0.46 0.00 -1.27 0.00 0.00 60.65 58.47 1m2k h LYS 55 Cb 1.28 0.13 -0.31 0.00 -0.41 0.00 0.00 32.23 32.91 1m2k h LYS 55 CO 0.10 1.11 -0.86 -3.47 -2.27 0.00 0.00 179.45 174.05 1m2k n ASP 56 N -4.21 -1.17 0.04 4.20 -0.08 -0.48 -5.00 116.55 109.85 1m2k n ASP 56 Ca -0.10 -2.66 0.09 0.00 -1.51 0.00 0.00 54.79 50.61 1m2k n ASP 56 Cb 0.68 0.14 0.53 0.00 2.34 0.00 0.00 41.12 44.80 1m2k n ASP 56 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1m2k h PRO 57 N 4.91 0.31 -0.40 -0.67 0.13 -1.60 -2.16 132.00 132.52 1m2k h PRO 57 Ca 0.13 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 65.09 1m2k h PRO 57 Cb 0.95 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1m2k h PRO 57 CO 0.32 0.20 -0.35 1.49 -0.23 0.00 0.00 178.00 179.43 1m2k h GLU 58 N 0.31 0.94 -0.37 0.86 4.81 -1.94 0.31 114.58 119.50 1m2k h GLU 58 Ca 0.17 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 1m2k h GLU 58 Cb 0.26 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1m2k h GLU 58 CO -0.04 1.14 0.11 -0.22 -0.73 0.00 0.00 179.01 179.28 1m2k h LYS 59 N 0.76 0.58 -0.36 1.92 3.64 -1.82 -0.80 116.57 120.50 1m2k h LYS 59 Ca 0.07 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1m2k h LYS 59 Cb 0.94 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1m2k h LYS 59 CO 0.09 0.60 -0.00 0.28 -2.27 0.00 0.00 179.45 178.14 1m2k h VAL 60 N 0.45 1.26 -0.54 2.00 2.07 -1.34 -2.72 116.25 117.43 1m2k h VAL 60 Ca 0.12 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1m2k h VAL 60 Cb 0.26 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1m2k h VAL 60 CO -0.00 0.33 0.02 -0.50 0.02 0.00 0.00 177.57 177.43 1m2k h TRP 61 N 0.46 0.97 -0.49 1.57 4.06 -0.83 -1.09 115.95 120.60 1m2k h TRP 61 Ca 0.10 -0.14 -0.06 0.00 2.06 0.00 0.00 58.89 60.85 1m2k h TRP 61 Cb 0.47 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.34 1m2k h TRP 61 CO 0.04 0.87 0.05 0.87 -3.56 0.00 0.00 178.44 176.70 1m2k h LYS 62 N 0.85 0.78 -0.27 0.49 1.57 -1.10 0.30 116.57 119.18 1m2k h LYS 62 Ca 0.16 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1m2k h LYS 62 Cb 0.47 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1m2k h LYS 62 CO 0.02 0.76 -0.12 2.35 -0.57 0.00 0.00 179.45 181.89 1m2k h TRP 63 N 0.74 0.65 -0.06 -1.35 7.01 -1.15 -2.32 115.95 119.47 1m2k h TRP 63 Ca 0.15 -0.16 -0.12 0.00 2.11 0.00 0.00 58.89 60.87 1m2k h TRP 63 Cb 0.39 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 1m2k h TRP 63 CO 0.02 0.81 -0.52 1.88 -2.79 0.00 0.00 178.44 177.84 1m2k h TYR 64 N 0.31 0.21 -0.29 2.65 -1.99 -0.90 -1.49 116.97 115.47 1m2k h TYR 64 Ca 0.06 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 1m2k h TYR 64 Cb 0.63 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.30 1m2k h TYR 64 CO 0.06 0.66 -0.09 0.00 -0.00 0.00 0.00 178.16 178.79 1m2k h ALA 65 N 1.33 1.32 -0.06 3.88 0.00 -0.32 0.18 119.26 125.59 1m2k h ALA 65 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1m2k h ALA 65 Cb 0.96 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1m2k h ALA 65 CO 0.08 0.46 -0.04 2.35 0.00 0.00 0.00 179.25 182.10 1m2k h TRP 66 N 0.44 0.15 -0.61 0.00 7.01 -1.08 -1.75 115.95 120.13 1m2k h TRP 66 Ca 0.09 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.09 1m2k h TRP 66 Cb 0.43 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.41 1m2k h TRP 66 CO 0.01 0.53 0.35 0.00 -2.79 0.00 0.00 178.44 176.55 1m2k h ARG 67 N -0.26 0.66 0.22 2.65 2.47 -0.88 -2.02 114.38 117.22 1m2k h ARG 67 Ca 0.01 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1m2k h ARG 67 Cb 0.49 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1m2k h ARG 67 CO 0.01 0.44 -0.10 0.52 0.56 0.00 0.00 179.97 181.39 1m2k h MET 68 N 0.68 -0.28 -0.79 0.04 2.86 -0.60 -1.75 114.93 115.09 1m2k h MET 68 Ca 0.26 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.99 1m2k h MET 68 Cb 0.08 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.74 1m2k h MET 68 CO -0.13 -0.14 0.46 1.49 1.06 0.00 0.00 176.91 179.64 1m2k h GLU 69 N -0.35 0.78 -0.10 1.72 4.81 -1.14 0.14 114.58 120.43 1m2k h GLU 69 Ca -0.03 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1m2k h GLU 69 Cb 0.27 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1m2k h GLU 69 CO 0.05 0.52 0.01 -0.22 -0.73 0.00 0.00 179.01 178.64 1m2k h LYS 70 N 0.80 0.05 -0.45 1.92 3.11 -1.19 -1.46 116.57 119.36 1m2k h LYS 70 Ca 0.37 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 58.11 1m2k h LYS 70 Cb 0.27 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 1m2k h LYS 70 CO -0.21 0.04 -0.08 0.28 -2.81 0.00 0.00 179.45 176.67 1m2k h VAL 71 N 0.06 1.27 0.00 2.00 2.07 -0.72 -2.16 116.25 118.77 1m2k h VAL 71 Ca 0.05 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 1m2k h VAL 71 Cb 0.04 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1m2k h VAL 71 CO -0.07 0.40 -0.17 -0.26 0.02 0.00 0.00 177.57 177.50 1m2k h PHE 72 N 0.68 0.00 -0.02 1.57 0.05 -0.59 -2.52 116.94 116.12 1m2k h PHE 72 Ca 0.12 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.91 1m2k h PHE 72 Cb 0.61 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.56 1m2k h PHE 72 CO 0.05 0.17 -0.30 0.09 -0.18 0.00 0.00 178.31 178.13 1m2k n ASN 73 N -3.82 1.91 -4.91 2.17 5.03 -0.56 -4.95 115.26 110.14 1m2k n ASN 73 Ca -0.02 -1.45 -0.28 0.00 0.87 0.00 0.00 54.58 53.70 1m2k n ASN 73 Cb 0.27 0.27 0.03 0.00 -1.02 0.00 0.00 39.78 39.33 1m2k n ASN 73 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1m2k s ALA 74 N -2.36 3.23 0.08 5.41 0.00 -0.83 -5.07 121.76 122.22 1m2k s ALA 74 Ca 0.23 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.73 1m2k s ALA 74 Cb 0.19 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1m2k s ALA 74 CO 0.49 -0.77 -0.21 -0.65 0.00 0.00 0.00 175.76 174.62 1m2k s GLN 75 N -5.02 1.81 0.55 0.00 -1.52 -1.26 -5.01 119.66 109.21 1m2k s GLN 75 Ca 0.53 -1.13 -0.22 0.00 -1.95 0.00 0.00 55.36 52.60 1m2k s GLN 75 Cb -0.11 -2.07 -0.05 0.00 -0.22 0.00 0.00 33.01 30.56 1m2k s GLN 75 CO 0.47 0.50 1.37 -2.14 -0.25 0.00 0.00 175.29 175.24 1m2k s PRO 76 N -1.71 3.10 0.36 2.91 0.02 -1.26 -4.71 135.00 133.70 1m2k s PRO 76 Ca 0.15 2.25 0.05 0.00 0.02 0.00 0.00 61.00 63.47 1m2k s PRO 76 Cb -0.10 -2.24 0.05 0.00 0.02 0.00 0.00 34.50 32.23 1m2k s PRO 76 CO 0.06 -1.23 0.41 0.27 -0.33 0.00 0.00 177.00 176.19 1m2k n ASN 77 N -1.08 1.60 0.17 2.53 0.23 -1.26 -4.92 115.26 112.54 1m2k n ASN 77 Ca 0.11 -2.04 0.15 0.00 -0.53 0.00 0.00 54.58 52.26 1m2k n ASN 77 Cb 0.45 -0.18 0.73 0.00 -2.08 0.00 0.00 39.78 38.70 1m2k n ASN 77 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1m2k h LYS 78 N 0.00 0.00 -0.09 -3.83 1.57 -1.91 -1.53 116.57 110.78 1m2k h LYS 78 Ca -0.19 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 1m2k h LYS 78 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 1m2k h LYS 78 CO 0.28 0.00 -0.10 0.00 -0.57 0.00 0.00 179.45 179.06 1m2k h ALA 79 N 1.86 0.13 -0.60 3.86 0.00 -1.79 -1.27 119.26 121.46 1m2k h ALA 79 Ca 0.10 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1m2k h ALA 79 Cb 0.43 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1m2k h ALA 79 CO -0.00 -0.02 0.36 0.45 0.00 0.00 0.00 179.25 180.04 1m2k h HIS 80 N -0.20 0.68 -0.86 0.00 3.86 -1.62 -1.50 115.15 115.51 1m2k h HIS 80 Ca 0.01 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1m2k h HIS 80 Cb 0.63 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 1m2k h HIS 80 CO 0.09 0.39 0.45 1.96 0.86 0.00 0.00 177.93 181.68 1m2k h GLN 81 N 0.71 1.22 -0.45 2.45 1.08 -1.27 -2.00 115.11 116.85 1m2k h GLN 81 Ca 0.24 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1m2k h GLN 81 Cb 0.03 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 1m2k h GLN 81 CO -0.10 0.91 0.21 0.00 -0.95 0.00 0.00 178.83 178.89 1m2k h ALA 82 N 1.24 0.58 -0.64 3.87 0.00 -0.66 -0.04 119.26 123.61 1m2k h ALA 82 Ca 0.30 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1m2k h ALA 82 Cb 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1m2k h ALA 82 CO -0.04 0.16 0.21 0.74 0.00 0.00 0.00 179.25 180.31 1m2k h PHE 83 N 0.59 0.98 -0.40 0.00 -1.00 -1.08 0.71 116.94 116.73 1m2k h PHE 83 Ca 0.15 -0.08 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 1m2k h PHE 83 Cb 0.14 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 1m2k h PHE 83 CO -0.01 0.78 0.10 0.00 -1.61 0.00 0.00 178.31 177.58 1m2k h ALA 84 N 1.29 0.53 -0.52 2.45 0.00 -0.95 -2.35 119.26 119.71 1m2k h ALA 84 Ca 0.21 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1m2k h ALA 84 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1m2k h ALA 84 CO -0.01 0.21 0.13 1.49 0.00 0.00 0.00 179.25 181.07 1m2k h GLU 85 N 0.51 0.83 0.00 0.00 4.57 -0.65 -0.63 114.58 119.22 1m2k h GLU 85 Ca 0.13 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1m2k h GLU 85 Cb 0.31 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1m2k h GLU 85 CO 0.00 0.79 -0.02 1.25 -1.18 0.00 0.00 179.01 179.85 1m2k h LEU 86 N 0.73 0.00 0.14 1.64 5.85 -0.71 0.65 115.31 123.62 1m2k h LEU 86 Ca 0.16 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.59 1m2k h LEU 86 Cb 0.33 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.39 1m2k h LEU 86 CO 0.00 0.02 -1.23 -0.08 -0.34 0.00 0.00 178.44 176.81 1m2k h GLU 87 N 0.00 0.58 -0.72 1.25 4.81 -0.87 -1.46 114.58 118.17 1m2k h GLU 87 Ca -0.00 -0.82 -0.00 0.00 -0.13 0.00 0.00 59.36 58.41 1m2k h GLU 87 Cb 0.04 0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1m2k h GLU 87 CO 0.00 1.37 0.43 -0.09 -0.73 0.00 0.00 179.01 180.00 1m2k h ARG 88 N 0.19 0.97 0.00 1.92 2.43 0.17 -0.47 114.38 119.59 1m2k h ARG 88 Ca -0.20 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1m2k h ARG 88 Cb 1.92 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 1m2k h ARG 88 CO 0.24 0.69 0.00 1.28 -1.51 0.00 0.00 179.97 180.66 1m2k n LEU 89 N -4.39 0.00 0.00 3.80 4.77 0.10 -4.87 117.00 116.41 1m2k n LEU 89 Ca 0.07 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1m2k n LEU 89 Cb 0.07 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1m2k n LEU 89 CO 0.37 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1m2k n GLY 90 N 0.21 0.67 0.09 -0.72 0.00 -0.18 -4.95 105.19 100.31 1m2k n GLY 90 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1m2k n GLY 90 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1m2k h VAL 91 N 0.00 0.97 -3.18 1.61 2.07 -1.57 -3.45 116.25 112.70 1m2k h VAL 91 Ca 0.00 -1.99 -0.58 0.00 0.82 0.00 0.00 66.70 64.95 1m2k h VAL 91 Cb 0.00 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 1m2k h VAL 91 CO 0.00 0.33 0.82 -0.22 0.02 0.00 0.00 177.57 178.52 1m2k s LEU 92 N -8.06 4.02 -0.04 2.57 2.96 -0.62 -3.66 118.68 115.86 1m2k s LEU 92 Ca -0.22 1.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.95 1m2k s LEU 92 Cb 0.03 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.92 1m2k s LEU 92 CO 0.53 -0.77 0.68 0.11 -1.32 0.00 0.00 176.35 175.58 1m2k h LYS 93 N 7.77 0.13 -2.22 1.98 1.79 -1.18 -3.39 116.57 121.45 1m2k h LYS 93 Ca -0.20 -0.23 -0.06 0.00 -2.18 0.00 0.00 60.65 57.98 1m2k h LYS 93 Cb 1.06 0.09 -0.22 0.00 -1.58 0.00 0.00 32.23 31.58 1m2k h LYS 93 CO 1.00 0.88 0.02 0.00 -1.08 0.00 0.00 179.45 180.27 1m2k s LEU 95 N 0.24 2.87 -0.20 0.00 0.20 -0.38 -1.93 118.68 119.47 1m2k s LEU 95 Ca -0.01 -0.66 -0.09 0.00 0.69 0.00 0.00 54.13 54.07 1m2k s LEU 95 Cb -0.04 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 1m2k s LEU 95 CO 0.01 -0.06 0.10 -0.63 -0.29 0.00 0.00 176.35 175.48 1m2k s ILE 96 N 1.37 5.01 0.06 6.68 1.01 0.76 -0.93 121.20 135.16 1m2k s ILE 96 Ca 0.03 0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1m2k s ILE 96 Cb -0.15 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1m2k s ILE 96 CO -0.06 0.42 -0.12 0.28 0.00 0.00 0.00 174.94 175.46 1m2k s THR 97 N 0.60 0.95 -0.98 2.92 -1.32 0.06 -0.73 115.64 117.14 1m2k s THR 97 Ca 0.05 -1.24 0.22 0.00 -1.21 0.00 0.00 61.69 59.51 1m2k s THR 97 Cb -0.13 -0.94 -0.15 0.00 -1.51 0.00 0.00 72.50 69.77 1m2k s THR 97 CO 0.01 -0.27 1.07 0.00 -2.21 0.00 0.00 174.62 173.22 1m2k n GLN 98 N 1.33 0.01 -2.24 7.08 6.02 -0.63 -1.41 117.38 127.54 1m2k n GLN 98 Ca -0.22 -0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.37 1m2k n GLN 98 Cb 0.54 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 1m2k n GLN 98 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1m2k s ASN 99 N -3.04 6.85 0.00 1.08 0.01 -1.26 -4.41 114.94 114.17 1m2k s ASN 99 Ca 0.09 2.51 0.25 0.00 -0.71 0.00 0.00 52.86 55.00 1m2k s ASN 99 Cb 0.16 -2.64 0.40 0.00 0.41 0.00 0.00 41.25 39.59 1m2k s ASN 99 CO 0.81 -0.46 1.37 1.33 -1.51 0.00 0.00 177.10 178.64 1m2k n VAL 100 N 0.76 0.00 -1.89 1.60 0.24 -1.26 -4.82 118.33 112.96 1m2k n VAL 100 Ca 0.01 -0.39 -0.29 0.00 -2.04 0.00 0.00 64.34 61.63 1m2k n VAL 100 Cb 0.43 1.17 0.10 0.00 -1.47 0.00 0.00 33.84 34.07 1m2k n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1m2k s ASP 101 N -2.09 4.38 -0.21 -1.34 1.47 -1.26 -0.35 116.67 117.27 1m2k s ASP 101 Ca 0.29 0.75 0.14 0.00 1.18 0.00 0.00 52.55 54.91 1m2k s ASP 101 Cb 0.20 -1.21 0.45 0.00 -0.34 0.00 0.00 42.92 42.02 1m2k s ASP 101 CO 0.36 -1.98 1.35 -0.90 0.68 0.00 0.00 175.17 174.67 1m2k n ASP 102 N -3.36 2.73 0.20 2.11 5.75 -1.26 -4.74 116.55 117.99 1m2k n ASP 102 Ca 0.08 -3.43 0.05 0.00 -0.01 0.00 0.00 54.79 51.48 1m2k n ASP 102 Cb 0.61 -0.55 0.43 0.00 -1.03 0.00 0.00 41.12 40.58 1m2k n ASP 102 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1m2k h LEU 103 N 1.00 0.00 -0.35 -2.12 3.38 -1.94 -1.34 115.31 113.95 1m2k h LEU 103 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1m2k h LEU 103 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1m2k h LEU 103 CO 0.20 0.31 -0.07 0.45 0.09 0.00 0.00 178.44 179.42 1m2k h HIS 104 N 0.00 0.74 -0.35 1.13 3.86 -1.93 -2.07 115.15 116.53 1m2k h HIS 104 Ca -0.00 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.04 1m2k h HIS 104 Cb 0.59 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 1m2k h HIS 104 CO 0.00 0.81 0.15 0.93 0.86 0.00 0.00 177.93 180.68 1m2k h GLU 105 N 0.45 0.51 0.00 2.45 3.07 -1.69 -1.60 114.58 117.77 1m2k h GLU 105 Ca 0.09 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1m2k h GLU 105 Cb 0.56 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1m2k h GLU 105 CO 0.03 0.49 0.00 0.00 -1.40 0.00 0.00 179.01 178.13 1m2k h ARG 106 N 0.42 0.00 0.00 2.33 3.08 -1.20 -0.57 114.38 118.44 1m2k h ARG 106 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1m2k h ARG 106 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1m2k h ARG 106 CO -0.01 0.00 -0.20 0.00 -1.07 0.00 0.00 179.97 178.69 1m2k n ALA 107 N -2.06 2.72 0.00 0.04 0.00 -0.78 -4.92 120.51 115.50 1m2k n ALA 107 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1m2k n ALA 107 Cb 0.23 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1m2k n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m2k n GLY 108 N 1.46 0.81 3.74 0.00 0.00 -0.22 -4.81 105.19 106.16 1m2k n GLY 108 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1m2k n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m2k s SER 109 N -1.28 6.47 -0.24 1.61 0.01 -0.64 -4.93 113.70 114.70 1m2k s SER 109 Ca 0.00 2.82 0.01 0.00 1.31 0.00 0.00 55.95 60.09 1m2k s SER 109 Cb 0.00 -2.62 -0.15 0.00 0.21 0.00 0.00 66.02 63.46 1m2k s SER 109 CO 0.00 -0.87 -0.22 0.54 0.41 0.00 0.00 173.24 173.11 1m2k n ARG 110 N 2.83 0.58 -3.40 12.44 1.74 -1.26 -4.47 116.66 125.13 1m2k n ARG 110 Ca 0.10 0.14 -0.45 0.00 -0.77 0.00 0.00 57.85 56.88 1m2k n ARG 110 Cb 0.38 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 1m2k n ARG 110 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1m2k s ASN 111 N -6.37 6.37 -0.08 0.55 3.04 -1.26 -5.02 114.94 112.16 1m2k s ASN 111 Ca -0.32 -2.48 0.03 0.00 0.04 0.00 0.00 52.86 50.12 1m2k s ASN 111 Cb 0.09 -2.15 0.01 0.00 -1.54 0.00 0.00 41.25 37.66 1m2k s ASN 111 CO 0.53 -0.61 -0.15 -0.69 -3.04 0.00 0.00 177.10 173.14 1m2k s VAL 112 N 0.50 1.39 -0.22 -5.21 1.01 -1.26 -1.25 120.40 115.37 1m2k s VAL 112 Ca 0.14 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1m2k s VAL 112 Cb -0.17 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1m2k s VAL 112 CO -0.05 0.41 0.00 -0.63 0.00 0.00 0.00 175.10 174.83 1m2k s ILE 113 N 0.62 3.86 -0.75 2.22 1.01 -0.11 -5.00 121.20 123.05 1m2k s ILE 113 Ca -0.15 -0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 1m2k s ILE 113 Cb -0.16 -2.76 0.16 0.00 0.01 0.00 0.00 42.46 39.71 1m2k s ILE 113 CO 0.05 0.41 0.79 -1.00 0.00 0.00 0.00 174.94 175.18 1m2k s HIS 114 N 1.27 3.39 0.32 3.97 3.76 -1.26 -0.76 115.29 125.98 1m2k s HIS 114 Ca 0.04 -1.54 0.01 0.00 -0.15 0.00 0.00 55.06 53.42 1m2k s HIS 114 Cb -0.15 -3.96 0.55 0.00 1.11 0.00 0.00 32.58 30.14 1m2k s HIS 114 CO 0.01 -1.16 1.94 -0.07 -0.85 0.00 0.00 174.74 174.61 1m2k h LEU 115 N 8.96 0.86 -3.39 0.89 3.38 -1.57 -3.03 115.31 121.41 1m2k h LEU 115 Ca -0.03 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1m2k h LEU 115 Cb 1.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1m2k h LEU 115 CO 0.94 0.58 0.03 1.41 0.09 0.00 0.00 178.44 181.50 1m2k n HIS 116 N -4.46 1.38 -2.18 1.13 8.25 -1.26 -4.79 115.22 113.29 1m2k n HIS 116 Ca 0.11 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.58 1m2k n HIS 116 Cb 0.14 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.83 1m2k n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1m2k n GLY 117 N -0.35 -1.71 3.42 -1.41 0.00 -1.15 -0.72 105.19 103.27 1m2k n GLY 117 Ca 0.27 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 1m2k n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m2k s SER 118 N -4.00 -0.51 0.25 1.61 0.15 -0.63 -4.42 113.70 106.15 1m2k s SER 118 Ca 0.00 0.76 0.25 0.00 0.70 0.00 0.00 55.95 57.66 1m2k s SER 118 Cb 0.00 0.77 0.94 0.00 -1.71 0.00 0.00 66.02 66.02 1m2k s SER 118 CO 0.00 -0.37 1.74 0.18 1.20 0.00 0.00 173.24 175.99 1m2k n LEU 119 N 1.89 0.74 0.15 3.45 4.77 0.52 -2.17 117.00 126.35 1m2k n LEU 119 Ca -0.17 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 1m2k n LEU 119 Cb 0.56 -0.50 0.39 0.00 -2.33 0.00 0.00 43.42 41.54 1m2k n LEU 119 CO 0.16 -0.46 0.87 0.03 -1.33 0.00 0.00 177.39 176.66 1m2k h ARG 120 N 0.00 0.00 -5.77 3.23 2.47 -1.90 -3.45 114.38 108.96 1m2k h ARG 120 Ca 0.00 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.05 1m2k h ARG 120 Cb 0.48 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.70 1m2k h ARG 120 CO 0.00 0.00 -0.53 0.08 0.56 0.00 0.00 179.97 180.08 1m2k s VAL 121 N -3.20 5.06 -0.02 2.04 1.01 -0.92 -0.39 120.40 123.98 1m2k s VAL 121 Ca 0.08 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1m2k s VAL 121 Cb 0.10 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1m2k s VAL 121 CO 0.57 0.61 -0.08 0.68 0.00 0.00 0.00 175.10 176.88 1m2k s VAL 122 N -0.98 0.72 0.10 2.92 -7.23 -0.41 0.27 120.40 115.79 1m2k s VAL 122 Ca 0.15 -0.34 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 1m2k s VAL 122 Cb -0.12 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 1m2k s VAL 122 CO 0.04 0.22 -0.03 0.00 -0.31 0.00 0.00 175.10 175.02 1m2k s ARG 123 N 0.13 0.84 0.35 4.82 1.70 -0.28 -1.60 118.95 124.91 1m2k s ARG 123 Ca -0.02 -1.35 -0.26 0.00 -0.47 0.00 0.00 55.73 53.63 1m2k s ARG 123 Cb -0.07 -0.07 -0.09 0.00 -0.57 0.00 0.00 34.95 34.15 1m2k s ARG 123 CO 0.00 -0.09 1.01 0.00 -1.08 0.00 0.00 175.30 175.15 1m2k n THR 125 N 0.37 0.68 0.01 0.00 -2.24 -0.88 -4.52 114.28 107.70 1m2k n THR 125 Ca 0.03 -0.15 -0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1m2k n THR 125 Cb 0.49 -0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1m2k n THR 125 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1m2k n SER 126 N -2.30 0.47 -4.84 3.42 3.41 -1.26 -5.08 113.62 107.44 1m2k n SER 126 Ca 0.05 0.06 -0.32 0.00 -0.26 0.00 0.00 58.87 58.40 1m2k n SER 126 Cb 0.38 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1m2k n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m2k n ASN 128 N -2.39 4.54 -3.75 0.00 4.13 -1.26 -4.39 115.26 112.15 1m2k n ASN 128 Ca 0.07 -2.88 -0.13 0.00 1.68 0.00 0.00 54.58 53.32 1m2k n ASN 128 Cb 0.54 -1.74 -0.14 0.00 -1.54 0.00 0.00 39.78 36.91 1m2k n ASN 128 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1m2k s ASN 129 N 4.55 -0.18 0.07 6.41 2.47 -1.26 -5.06 114.94 121.95 1m2k s ASN 129 Ca 0.56 0.39 -0.11 0.00 0.42 0.00 0.00 52.86 54.12 1m2k s ASN 129 Cb 0.04 0.29 0.01 0.00 -1.45 0.00 0.00 41.25 40.14 1m2k s ASN 129 CO 0.08 -0.15 0.25 -0.94 -3.72 0.00 0.00 177.10 172.63 1m2k s SER 130 N 1.11 -0.02 0.24 -4.21 1.04 -1.26 -0.88 113.70 109.72 1m2k s SER 130 Ca -0.08 -0.42 -0.22 0.00 0.48 0.00 0.00 55.95 55.71 1m2k s SER 130 Cb -0.10 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.41 1m2k s SER 130 CO -0.06 -0.68 0.75 0.72 0.98 0.00 0.00 173.24 174.95 1m2k s PHE 131 N -3.23 -0.22 0.12 5.02 -0.12 -0.62 -5.00 117.98 113.92 1m2k s PHE 131 Ca -0.00 -0.18 0.03 0.00 -0.05 0.00 0.00 56.93 56.73 1m2k s PHE 131 Cb 0.02 0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 43.05 1m2k s PHE 131 CO -0.08 -1.11 0.19 -1.21 -0.05 0.00 0.00 175.22 172.96 1m2k s GLU 132 N -3.78 3.18 0.17 1.99 2.02 -1.26 -1.29 118.70 119.73 1m2k s GLU 132 Ca 0.10 -0.66 0.09 0.00 0.02 0.00 0.00 54.97 54.52 1m2k s GLU 132 Cb -0.05 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1m2k s GLU 132 CO 0.04 0.54 -0.12 0.14 0.02 0.00 0.00 175.26 175.87 1m2k s VAL 133 N -1.63 3.07 -0.10 2.63 -7.23 0.48 -4.97 120.40 112.65 1m2k s VAL 133 Ca 0.33 -1.64 0.15 0.00 -1.81 0.00 0.00 61.98 59.00 1m2k s VAL 133 Cb -0.11 -2.49 -0.23 0.00 0.56 0.00 0.00 36.38 34.10 1m2k s VAL 133 CO 0.26 -0.06 0.48 -0.62 -0.31 0.00 0.00 175.10 174.85 1m2k n GLU 134 N 0.24 0.65 -4.02 4.82 -0.58 -1.26 -4.88 120.64 115.61 1m2k n GLU 134 Ca -0.12 0.19 -0.10 0.00 -0.42 0.00 0.00 57.16 56.71 1m2k n GLU 134 Cb 0.55 -1.71 -0.08 0.00 -0.57 0.00 0.00 31.44 29.63 1m2k n GLU 134 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1m2k s SER 135 N -5.86 0.11 0.39 1.62 1.04 -1.26 -5.05 113.70 104.70 1m2k s SER 135 Ca -0.06 -0.98 -0.26 0.00 0.48 0.00 0.00 55.95 55.13 1m2k s SER 135 Cb 0.07 0.40 -0.09 0.00 0.10 0.00 0.00 66.02 66.51 1m2k s SER 135 CO 0.83 -0.85 1.17 0.00 0.98 0.00 0.00 173.24 175.37 1m2k s ALA 136 N -4.00 3.19 0.68 5.32 0.00 -1.26 -5.03 121.76 120.66 1m2k s ALA 136 Ca 0.20 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 1m2k s ALA 136 Cb 0.04 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 1m2k s ALA 136 CO 0.01 -0.51 1.06 -1.25 0.00 0.00 0.00 175.76 175.07 1m2k s PRO 137 N -2.22 3.09 -0.16 0.00 0.04 -1.26 -5.03 135.00 129.47 1m2k s PRO 137 Ca 0.56 0.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 1m2k s PRO 137 Cb -0.31 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1m2k s PRO 137 CO 0.39 -0.92 0.32 0.15 0.04 0.00 0.00 177.00 176.99 1m2k s LYS 138 N -5.21 4.27 -0.11 4.56 -0.14 -1.26 -4.88 119.74 116.96 1m2k s LYS 138 Ca 0.57 0.14 0.02 0.00 -1.36 0.00 0.00 55.97 55.34 1m2k s LYS 138 Cb -0.12 -3.43 0.01 0.00 -1.68 0.00 0.00 37.83 32.61 1m2k s LYS 138 CO 0.53 0.22 -0.16 0.42 -0.76 0.00 0.00 175.35 175.60 1m2k s ILE 139 N 0.52 1.57 1.02 2.17 -1.09 -1.26 -3.61 121.20 120.52 1m2k s ILE 139 Ca 0.18 -0.68 -0.16 0.00 -2.23 0.00 0.00 60.65 57.76 1m2k s ILE 139 Cb -0.13 -1.43 0.21 0.00 -1.58 0.00 0.00 42.46 39.53 1m2k s ILE 139 CO 0.05 0.45 1.19 -2.16 -1.23 0.00 0.00 174.94 173.24 1m2k s PRO 140 N 0.97 0.20 0.80 2.79 0.04 -1.26 -4.94 135.00 133.61 1m2k s PRO 140 Ca -0.06 -0.06 -0.12 0.00 0.04 0.00 0.00 61.00 60.80 1m2k s PRO 140 Cb -0.15 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.70 1m2k s PRO 140 CO -0.02 -2.76 1.16 -1.25 0.04 0.00 0.00 177.00 174.16 1m2k s PRO 141 N -5.52 2.04 0.26 0.56 0.04 -1.24 -5.11 135.00 126.03 1m2k s PRO 141 Ca 0.69 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 1m2k s PRO 141 Cb -0.09 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1m2k s PRO 141 CO 0.54 -1.57 1.28 -0.51 0.04 0.00 0.00 177.00 176.78 1m2k s LEU 142 N -5.60 4.44 0.13 -3.56 1.43 -1.26 -4.89 118.68 109.37 1m2k s LEU 142 Ca 0.61 2.49 -0.31 0.00 -1.03 0.00 0.00 54.13 55.89 1m2k s LEU 142 Cb -0.12 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 1m2k s LEU 142 CO 0.50 -0.47 1.51 -2.84 0.23 0.00 0.00 176.35 175.28 1m2k s PRO 143 N -0.92 4.25 0.13 1.29 0.02 -1.26 -4.97 135.00 133.54 1m2k s PRO 143 Ca 0.52 2.24 0.09 0.00 0.02 0.00 0.00 61.00 63.87 1m2k s PRO 143 Cb -0.37 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 30.84 1m2k s PRO 143 CO 0.44 -0.57 -0.16 0.15 -0.33 0.00 0.00 177.00 176.53 1m2k s LYS 144 N 1.41 1.86 -0.07 5.54 3.01 -1.26 -0.62 119.74 129.60 1m2k s LYS 144 Ca 0.68 -1.18 -0.28 0.00 -1.01 0.00 0.00 55.97 54.18 1m2k s LYS 144 Cb -0.40 -2.14 -0.02 0.00 -1.01 0.00 0.00 37.83 34.26 1m2k s LYS 144 CO 0.31 0.48 0.91 0.00 0.51 0.00 0.00 175.35 177.55 1m2k h ASP 146 N 6.96 0.04 0.21 0.00 2.03 -2.00 -3.31 116.42 120.35 1m2k h ASP 146 Ca -0.36 -0.03 0.01 0.00 -0.73 0.00 0.00 57.03 55.92 1m2k h ASP 146 Cb 1.18 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 39.64 1m2k h ASP 146 CO 0.79 0.82 -0.30 0.11 -1.03 0.00 0.00 179.24 179.64 1m2k h LYS 147 N 0.02 -0.55 0.00 4.15 1.79 -1.98 -3.46 116.57 116.53 1m2k h LYS 147 Ca -0.01 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1m2k h LYS 147 Cb 1.42 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 1m2k h LYS 147 CO 0.11 -0.37 0.00 0.00 -1.08 0.00 0.00 179.45 178.11 1m2k s GLY 149 N 0.00 2.05 0.26 0.00 0.00 -1.26 -4.73 107.32 103.63 1m2k s GLY 149 Ca 0.00 -3.10 -0.21 0.00 0.00 0.00 0.00 44.72 41.41 1m2k s GLY 149 CO 0.00 1.58 0.78 -0.56 0.00 0.00 0.00 173.10 174.90 1m2k s SER 150 N -0.59 -0.22 0.45 1.64 0.01 -1.26 -5.03 113.70 108.70 1m2k s SER 150 Ca 0.27 -0.61 -0.13 0.00 1.31 0.00 0.00 55.95 56.78 1m2k s SER 150 Cb -0.04 0.69 -0.07 0.00 0.21 0.00 0.00 66.02 66.81 1m2k s SER 150 CO -0.16 -1.28 0.86 -0.76 0.41 0.00 0.00 173.24 172.32 1m2k s LEU 151 N -2.95 3.75 0.32 2.44 1.02 -1.26 -0.31 118.68 121.68 1m2k s LEU 151 Ca 0.12 1.33 0.01 0.00 0.02 0.00 0.00 54.13 55.61 1m2k s LEU 151 Cb -0.05 -4.24 -0.03 0.00 0.02 0.00 0.00 46.19 41.89 1m2k s LEU 151 CO 0.06 -0.47 0.51 -0.76 0.02 0.00 0.00 176.35 175.71 1m2k s LEU 152 N -3.90 4.08 0.05 1.79 1.43 0.21 -2.08 118.68 120.26 1m2k s LEU 152 Ca 0.55 0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1m2k s LEU 152 Cb -0.10 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1m2k s LEU 152 CO 0.30 -0.23 -0.03 0.00 0.23 0.00 0.00 176.35 176.62 1m2k s ARG 153 N -4.15 0.61 0.43 1.70 1.70 0.83 -4.78 118.95 115.29 1m2k s ARG 153 Ca 0.39 -1.20 -0.26 0.00 -0.47 0.00 0.00 55.73 54.20 1m2k s ARG 153 Cb -0.10 0.17 -0.08 0.00 -0.57 0.00 0.00 34.95 34.37 1m2k s ARG 153 CO 0.34 -0.10 1.38 -2.14 -1.08 0.00 0.00 175.30 173.70 1m2k s PRO 154 N -3.77 3.79 -0.14 3.89 0.02 -1.26 -1.12 135.00 136.41 1m2k s PRO 154 Ca 0.06 2.31 -0.03 0.00 0.02 0.00 0.00 61.00 63.36 1m2k s PRO 154 Cb 0.07 -2.69 -0.07 0.00 0.02 0.00 0.00 34.50 31.82 1m2k s PRO 154 CO -0.09 -0.69 2.86 0.41 -0.33 0.00 0.00 177.00 179.16 1m2k n GLY 155 N 0.61 3.31 3.66 0.52 0.00 0.14 -4.69 105.19 108.74 1m2k n GLY 155 Ca 0.05 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 1m2k n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1m2k s VAL 156 N -0.35 2.92 -0.21 1.61 -7.23 -1.26 -1.61 120.40 114.27 1m2k s VAL 156 Ca 0.45 -1.89 -0.14 0.00 -1.81 0.00 0.00 61.98 58.59 1m2k s VAL 156 Cb 0.25 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1m2k s VAL 156 CO -0.05 -0.24 0.31 -0.69 -0.31 0.00 0.00 175.10 174.12 1m2k s VAL 157 N -2.45 5.26 0.29 1.32 1.01 0.11 -4.92 120.40 121.01 1m2k s VAL 157 Ca 0.35 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.85 1m2k s VAL 157 Cb -0.02 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1m2k s VAL 157 CO 0.20 0.29 0.47 0.26 0.00 0.00 0.00 175.10 176.32 1m2k s TRP 158 N 1.17 3.48 0.17 5.22 0.51 -1.26 -4.96 118.94 123.26 1m2k s TRP 158 Ca 0.15 0.27 -0.34 0.00 -2.12 0.00 0.00 56.10 54.06 1m2k s TRP 158 Cb -0.14 -1.82 -0.14 0.00 -0.81 0.00 0.00 33.47 30.56 1m2k s TRP 158 CO 0.06 0.26 1.49 0.00 -0.51 0.00 0.00 176.95 178.25 1m2k n ALA 159 N -1.40 0.91 0.00 0.98 0.00 -1.25 -0.89 120.51 118.85 1m2k n ALA 159 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1m2k n ALA 159 Cb 0.56 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1m2k n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m2k n GLY 160 N 2.93 3.26 3.89 0.00 0.00 -1.26 -4.74 105.19 109.27 1m2k n GLY 160 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1m2k n GLY 160 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m2k s GLU 161 N -0.56 3.52 -0.07 1.61 2.02 -0.07 -5.06 118.70 120.09 1m2k s GLU 161 Ca 0.00 0.40 -0.12 0.00 0.02 0.00 0.00 54.97 55.28 1m2k s GLU 161 Cb 0.00 -2.25 -0.05 0.00 0.10 0.00 0.00 34.13 31.93 1m2k s GLU 161 CO 0.00 -0.39 0.29 -1.64 0.02 0.00 0.00 175.26 173.54 1m2k s MET 162 N -4.93 3.77 0.61 1.61 -1.94 -1.26 -4.85 119.30 112.30 1m2k s MET 162 Ca 0.51 0.16 -0.17 0.00 -1.71 0.00 0.00 55.69 54.48 1m2k s MET 162 Cb -0.11 -3.23 -0.02 0.00 2.01 0.00 0.00 34.83 33.48 1m2k s MET 162 CO 0.48 0.67 1.11 -0.51 -0.01 0.00 0.00 175.02 176.77 1m2k s LEU 163 N -0.88 3.53 0.19 -0.03 1.02 -1.26 -4.93 118.68 116.32 1m2k s LEU 163 Ca 0.19 2.05 -0.32 0.00 0.02 0.00 0.00 54.13 56.07 1m2k s LEU 163 Cb -0.14 -4.56 -0.11 0.00 0.02 0.00 0.00 46.19 41.40 1m2k s LEU 163 CO 0.09 -1.44 1.64 -2.84 0.02 0.00 0.00 176.35 173.81 1m2k s PRO 164 N -3.80 4.17 0.28 1.29 0.02 -1.26 -4.87 135.00 130.82 1m2k s PRO 164 Ca 0.69 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.19 1m2k s PRO 164 Cb -0.21 -3.11 0.64 0.00 0.02 0.00 0.00 34.50 31.84 1m2k s PRO 164 CO 0.36 -0.67 1.67 -1.35 -0.33 0.00 0.00 177.00 176.68 1m2k h PRO 165 N 6.73 0.28 -0.24 5.54 0.11 -2.00 -0.44 132.00 141.97 1m2k h PRO 165 Ca -0.43 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 1m2k h PRO 165 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1m2k h PRO 165 CO 0.93 0.18 -0.15 0.38 -0.21 0.00 0.00 178.00 179.13 1m2k h ASP 166 N 0.28 0.40 0.00 -2.05 3.04 -1.99 -1.26 116.42 114.85 1m2k h ASP 166 Ca 0.51 -0.10 -0.00 0.00 -3.24 0.00 0.00 57.03 54.20 1m2k h ASP 166 Cb 0.98 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.16 1m2k h ASP 166 CO -0.58 0.58 -0.00 0.58 -2.04 0.00 0.00 179.24 177.78 1m2k h VAL 167 N 0.38 1.24 -0.51 4.15 2.07 -1.45 -0.72 116.25 121.41 1m2k h VAL 167 Ca 0.07 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 1m2k h VAL 167 Cb 0.49 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1m2k h VAL 167 CO 0.03 0.19 -0.13 0.25 0.02 0.00 0.00 177.57 177.92 1m2k h LEU 168 N -0.31 0.97 -0.62 2.57 5.85 -1.40 -2.02 115.31 120.34 1m2k h LEU 168 Ca -0.00 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1m2k h LEU 168 Cb 0.31 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1m2k h LEU 168 CO 0.00 1.09 0.33 0.44 -0.34 0.00 0.00 178.44 179.97 1m2k h ASP 169 N 0.85 0.78 -0.37 1.25 3.32 -1.19 -0.02 116.42 121.05 1m2k h ASP 169 Ca 0.13 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1m2k h ASP 169 Cb 0.68 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1m2k h ASP 169 CO 0.05 0.66 0.20 0.03 -1.72 0.00 0.00 179.24 178.46 1m2k h ARG 170 N 0.84 0.52 -0.74 3.56 3.08 -0.96 -0.87 114.38 119.81 1m2k h ARG 170 Ca 0.22 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1m2k h ARG 170 Cb 0.06 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1m2k h ARG 170 CO -0.03 0.44 0.44 0.00 -1.07 0.00 0.00 179.97 179.75 1m2k h ALA 171 N 1.06 0.95 -0.65 0.04 0.00 -1.06 -1.80 119.26 117.80 1m2k h ALA 171 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1m2k h ALA 171 Cb 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1m2k h ALA 171 CO -0.02 0.43 0.16 0.52 0.00 0.00 0.00 179.25 180.33 1m2k h MET 172 N 1.02 1.02 -0.70 0.00 2.86 -0.66 -1.75 114.93 116.72 1m2k h MET 172 Ca 0.27 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1m2k h MET 172 Cb -0.03 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 1m2k h MET 172 CO -0.05 0.90 0.26 0.00 1.06 0.00 0.00 176.91 179.08 1m2k h ARG 173 N 0.97 1.04 0.08 1.72 2.47 -0.75 -0.72 114.38 119.18 1m2k h ARG 173 Ca 0.21 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1m2k h ARG 173 Cb 0.34 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1m2k h ARG 173 CO 0.00 0.85 -0.04 0.93 0.56 0.00 0.00 179.97 182.28 1m2k h GLU 174 N 1.01 -0.10 0.00 0.04 4.39 -0.75 -2.80 114.58 116.37 1m2k h GLU 174 Ca 0.23 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 1m2k h GLU 174 Cb 0.22 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1m2k h GLU 174 CO -0.02 0.09 -0.11 -0.39 -1.16 0.00 0.00 179.01 177.42 1m2k h VAL 175 N -0.28 0.37 0.00 3.13 -1.51 -1.16 -2.09 116.25 114.71 1m2k h VAL 175 Ca -0.01 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1m2k h VAL 175 Cb 0.24 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1m2k h VAL 175 CO 0.02 0.11 0.00 -0.33 -1.23 0.00 0.00 177.57 176.14 1m2k h GLU 176 N 0.00 0.00 -0.01 5.19 5.08 -0.88 -3.08 114.58 120.88 1m2k h GLU 176 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1m2k h GLU 176 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1m2k h GLU 176 CO 0.01 0.00 -0.34 2.89 -1.00 0.00 0.00 179.01 180.58 1m2k n ARG 177 N -2.55 1.91 -2.97 2.33 1.85 -0.82 -5.01 116.66 111.39 1m2k n ARG 177 Ca 0.03 -0.65 -0.37 0.00 -1.00 0.00 0.00 57.85 55.87 1m2k n ARG 177 Cb 0.35 -1.20 -0.06 0.00 -1.05 0.00 0.00 32.46 30.49 1m2k n ARG 177 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1m2k s ALA 178 N -1.79 3.34 -0.57 2.89 0.00 -1.01 -4.73 121.76 119.90 1m2k s ALA 178 Ca 0.11 0.31 0.15 0.00 0.00 0.00 0.00 51.96 52.53 1m2k s ALA 178 Cb 0.11 -2.97 -0.18 0.00 0.00 0.00 0.00 23.12 20.09 1m2k s ALA 178 CO 0.38 0.27 0.58 -0.40 0.00 0.00 0.00 175.76 176.59 1m2k n ASP 179 N 0.75 0.86 -3.78 0.00 5.75 -0.78 -4.80 116.55 114.56 1m2k n ASP 179 Ca -0.01 -0.68 -0.13 0.00 -0.01 0.00 0.00 54.79 53.97 1m2k n ASP 179 Cb 0.50 1.15 -0.12 0.00 -1.03 0.00 0.00 41.12 41.62 1m2k n ASP 179 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1m2k s VAL 180 N -2.56 -0.01 -0.04 2.12 1.01 -1.25 -1.25 120.40 118.43 1m2k s VAL 180 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1m2k s VAL 180 Cb 0.11 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1m2k s VAL 180 CO 0.62 0.01 -0.02 -0.51 0.00 0.00 0.00 175.10 175.20 1m2k s ILE 181 N 0.29 0.37 -0.24 2.22 2.07 -0.35 -1.70 121.20 123.86 1m2k s ILE 181 Ca -0.01 -0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.07 1m2k s ILE 181 Cb -0.03 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 1m2k s ILE 181 CO -0.01 0.20 0.38 -0.63 -1.91 0.00 0.00 174.94 172.97 1m2k s ILE 182 N 1.12 5.19 -0.38 2.00 1.01 -0.60 -0.91 121.20 128.62 1m2k s ILE 182 Ca -0.08 0.61 -0.03 0.00 0.00 0.00 0.00 60.65 61.15 1m2k s ILE 182 Cb -0.14 -3.70 0.09 0.00 0.01 0.00 0.00 42.46 38.72 1m2k s ILE 182 CO -0.01 0.20 0.15 -0.69 0.00 0.00 0.00 174.94 174.59 1m2k s VAL 183 N 1.77 3.27 -0.04 2.92 1.01 0.67 -0.74 120.40 129.25 1m2k s VAL 183 Ca 0.16 -1.84 0.06 0.00 0.00 0.00 0.00 61.98 60.37 1m2k s VAL 183 Cb -0.15 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1m2k s VAL 183 CO 0.09 -0.53 -0.24 0.00 0.00 0.00 0.00 175.10 174.42 1m2k s ALA 184 N 1.19 2.22 -1.38 5.51 0.00 -0.61 -0.94 121.76 127.75 1m2k s ALA 184 Ca 0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1m2k s ALA 184 Cb -0.22 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1m2k s ALA 184 CO -0.03 0.47 0.10 0.41 0.00 0.00 0.00 175.76 176.71 1m2k n GLY 185 N 2.70 -0.31 3.10 0.00 0.00 -0.69 -1.26 105.19 108.74 1m2k n GLY 185 Ca -0.17 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 1m2k n GLY 185 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1m2k s THR 186 N -2.87 1.01 -1.23 2.61 -1.32 -1.26 -0.35 115.64 112.23 1m2k s THR 186 Ca 0.05 -0.66 0.23 0.00 -1.21 0.00 0.00 61.69 60.09 1m2k s THR 186 Cb -0.02 -0.87 0.30 0.00 -1.51 0.00 0.00 72.50 70.40 1m2k s THR 186 CO 0.06 0.20 1.74 -1.54 -2.21 0.00 0.00 174.62 172.87 1m2k n SER 187 N 2.52 0.00 -3.85 8.08 3.41 -1.26 -4.93 113.62 117.59 1m2k n SER 187 Ca -0.15 0.21 -0.29 0.00 -0.26 0.00 0.00 58.87 58.38 1m2k n SER 187 Cb 0.55 -0.39 0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1m2k n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m2k n ALA 188 N -1.39 -1.29 -0.00 7.33 0.00 -1.26 -4.33 120.51 119.57 1m2k n ALA 188 Ca 0.08 0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.77 1m2k n ALA 188 Cb 0.22 -4.73 -0.00 0.00 0.00 0.00 0.00 19.45 14.94 1m2k n ALA 188 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1m2k n VAL 189 N -4.76 0.01 -2.66 0.00 0.24 -1.26 -4.59 118.33 105.31 1m2k n VAL 189 Ca 0.04 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 61.91 1m2k n VAL 189 Cb 0.53 -0.95 -0.03 0.00 -1.47 0.00 0.00 33.84 31.93 1m2k n VAL 189 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1m2k s VAL 190 N -2.00 4.72 0.20 3.34 1.01 -1.26 -4.91 120.40 121.49 1m2k s VAL 190 Ca -0.00 1.97 0.04 0.00 0.00 0.00 0.00 61.98 63.99 1m2k s VAL 190 Cb 0.00 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1m2k s VAL 190 CO 0.01 0.07 0.30 -1.10 0.00 0.00 0.00 175.10 174.38 1m2k s GLN 191 N 1.59 3.38 0.00 2.72 -1.52 -1.26 -1.11 119.66 123.46 1m2k s GLN 191 Ca 0.51 -0.71 0.30 0.00 -1.95 0.00 0.00 55.36 53.51 1m2k s GLN 191 Cb -0.21 -2.89 1.54 0.00 -0.22 0.00 0.00 33.01 31.23 1m2k s GLN 191 CO 0.23 0.47 2.03 -0.35 -0.25 0.00 0.00 175.29 177.42 1m2k n PRO 192 N -0.96 1.08 -0.22 2.91 -0.04 -1.26 -4.89 135.00 131.63 1m2k n PRO 192 Ca -0.08 -0.29 0.02 0.00 -0.04 0.00 0.00 63.50 63.11 1m2k n PRO 192 Cb 0.56 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.65 1m2k n PRO 192 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m2k h ALA 193 N 3.99 0.85 0.00 0.55 0.00 -1.97 -1.42 119.26 121.26 1m2k h ALA 193 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1m2k h ALA 193 Cb 0.21 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1m2k h ALA 193 CO 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 179.25 179.01 1m2k h ALA 194 N 1.48 1.02 0.00 0.00 0.00 -1.46 -1.95 119.26 118.36 1m2k h ALA 194 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1m2k h ALA 194 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1m2k h ALA 194 CO -0.37 0.00 -0.31 0.66 0.00 0.00 0.00 179.25 179.23 1m2k h SER 195 N 0.00 0.00 -0.69 0.00 4.64 -1.53 -3.37 113.55 112.59 1m2k h SER 195 Ca -0.00 -0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1m2k h SER 195 Cb 0.01 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1m2k h SER 195 CO 0.00 0.01 0.40 -0.07 -0.87 0.00 0.00 176.83 176.31 1m2k h LEU 196 N 0.00 0.62 -1.77 5.97 3.38 -1.39 -2.04 115.31 120.07 1m2k h LEU 196 Ca 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1m2k h LEU 196 Cb 0.92 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1m2k h LEU 196 CO 0.00 0.41 -0.16 -0.65 0.09 0.00 0.00 178.44 178.13 1m2k h PRO 197 N 0.75 0.00 -0.17 1.13 0.11 -1.77 -2.42 132.00 129.63 1m2k h PRO 197 Ca 0.30 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.34 1m2k h PRO 197 Cb 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1m2k h PRO 197 CO -0.16 0.16 -0.22 -0.07 -0.21 0.00 0.00 178.00 177.50 1m2k h LEU 198 N 0.00 0.29 -0.46 2.35 3.38 -1.60 -2.37 115.31 116.90 1m2k h LEU 198 Ca -0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1m2k h LEU 198 Cb 0.37 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1m2k h LEU 198 CO 0.02 0.52 0.21 0.40 0.09 0.00 0.00 178.44 179.68 1m2k h ILE 199 N 0.27 1.19 -0.56 1.22 2.04 -1.37 0.12 117.51 120.42 1m2k h ILE 199 Ca 0.05 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1m2k h ILE 199 Cb 0.54 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1m2k h ILE 199 CO 0.04 0.21 0.33 0.58 0.00 0.00 0.00 178.15 179.31 1m2k h VAL 200 N 0.60 1.17 -0.21 1.67 2.07 -1.53 -2.15 116.25 117.87 1m2k h VAL 200 Ca 0.16 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1m2k h VAL 200 Cb 0.14 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1m2k h VAL 200 CO -0.02 0.18 -0.01 0.50 0.02 0.00 0.00 177.57 178.24 1m2k h LYS 201 N 0.75 0.38 0.00 1.57 1.63 -1.12 0.23 116.57 120.02 1m2k h LYS 201 Ca 0.20 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1m2k h LYS 201 Cb 0.00 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1m2k h LYS 201 CO -0.04 0.59 -0.01 1.96 -3.45 0.00 0.00 179.45 178.50 1m2k h GLN 202 N 0.13 0.00 -0.01 1.90 4.20 -0.65 0.67 115.11 121.35 1m2k h GLN 202 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1m2k h GLN 202 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1m2k h GLN 202 CO 0.01 0.01 -0.04 0.54 -0.67 0.00 0.00 178.83 178.69 1m2k n ARG 203 N -3.46 1.46 -0.26 1.46 5.12 -0.82 -4.90 116.66 115.25 1m2k n ARG 203 Ca -0.03 -0.79 0.00 0.00 -1.93 0.00 0.00 57.85 55.10 1m2k n ARG 203 Cb 0.10 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1m2k n ARG 203 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1m2k n GLY 204 N 1.19 0.75 3.93 -0.13 0.00 0.23 -5.08 105.19 106.08 1m2k n GLY 204 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1m2k n GLY 204 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1m2k s GLY 205 N -1.64 1.76 0.01 -0.02 0.00 0.79 -4.98 107.32 103.22 1m2k s GLY 205 Ca 0.00 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.58 1m2k s GLY 205 CO 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 173.10 172.60 1m2k s ALA 206 N -3.79 3.11 -0.14 3.20 0.00 -0.38 -4.33 121.76 119.43 1m2k s ALA 206 Ca 0.72 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 1m2k s ALA 206 Cb -0.05 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1m2k s ALA 206 CO 0.52 0.63 -0.07 0.42 0.00 0.00 0.00 175.76 177.25 1m2k s ILE 207 N -1.04 3.60 -0.31 0.00 1.01 -1.26 -1.22 121.20 121.99 1m2k s ILE 207 Ca 0.18 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1m2k s ILE 207 Cb -0.11 -2.55 0.08 0.00 0.01 0.00 0.00 42.46 39.88 1m2k s ILE 207 CO 0.09 0.51 -0.01 -0.63 0.00 0.00 0.00 174.94 174.89 1m2k s ILE 208 N 0.32 2.32 -0.09 2.92 1.01 -0.09 -1.72 121.20 125.87 1m2k s ILE 208 Ca -0.06 -1.98 -0.13 0.00 0.00 0.00 0.00 60.65 58.48 1m2k s ILE 208 Cb -0.15 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1m2k s ILE 208 CO 0.04 -0.33 0.32 -0.70 0.00 0.00 0.00 174.94 174.27 1m2k s GLU 209 N 1.02 3.98 -0.22 2.79 2.12 0.28 -0.24 118.70 128.43 1m2k s GLU 209 Ca 0.01 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.55 1m2k s GLU 209 Cb -0.20 -3.30 0.06 0.00 0.26 0.00 0.00 34.13 30.94 1m2k s GLU 209 CO -0.06 0.51 -0.06 0.42 -0.54 0.00 0.00 175.26 175.52 1m2k s ILE 210 N -0.39 1.48 -0.28 -3.70 1.01 -0.11 -0.41 121.20 118.80 1m2k s ILE 210 Ca 0.20 -1.11 -0.22 0.00 0.00 0.00 0.00 60.65 59.52 1m2k s ILE 210 Cb -0.14 -1.71 0.12 0.00 0.01 0.00 0.00 42.46 40.74 1m2k s ILE 210 CO 0.08 -0.03 0.97 0.21 0.00 0.00 0.00 174.94 176.17 1m2k s ASN 211 N 1.43 -0.52 0.00 3.58 3.84 -0.72 -1.71 114.94 120.84 1m2k s ASN 211 Ca -0.04 0.94 0.15 0.00 0.21 0.00 0.00 52.86 54.12 1m2k s ASN 211 Cb -0.18 1.03 0.68 0.00 -0.55 0.00 0.00 41.25 42.23 1m2k s ASN 211 CO -0.07 -0.16 1.44 -2.65 -2.79 0.00 0.00 177.10 172.88 1m2k n PRO 212 N 2.74 0.09 -4.32 0.43 -0.02 -1.10 -3.12 135.00 129.70 1m2k n PRO 212 Ca -0.14 0.21 -0.17 0.00 -2.02 0.00 0.00 63.50 61.37 1m2k n PRO 212 Cb 0.56 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.44 1m2k n PRO 212 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1m2k s ASP 213 N -2.82 2.35 0.47 2.55 3.68 -1.26 -4.75 116.67 116.89 1m2k s ASP 213 Ca 0.10 -1.03 -0.14 0.00 2.13 0.00 0.00 52.55 53.61 1m2k s ASP 213 Cb 0.10 -0.10 -0.07 0.00 -1.45 0.00 0.00 42.92 41.39 1m2k s ASP 213 CO 0.25 -0.22 0.89 -1.61 0.13 0.00 0.00 175.17 174.60 1m2k s GLU 214 N -3.68 3.87 0.33 4.34 8.01 -1.26 -5.00 118.70 125.31 1m2k s GLU 214 Ca 0.21 0.74 0.05 0.00 0.01 0.00 0.00 54.97 55.98 1m2k s GLU 214 Cb 0.00 -2.25 -0.03 0.00 -4.31 0.00 0.00 34.13 27.54 1m2k s GLU 214 CO 0.05 -0.17 0.21 0.95 0.01 0.00 0.00 175.26 176.32 1m2k s THR 215 N -2.51 0.18 -0.00 3.63 -4.23 -1.26 -5.01 115.64 106.43 1m2k s THR 215 Ca 0.56 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.36 1m2k s THR 215 Cb -0.10 -2.47 0.30 0.00 1.34 0.00 0.00 72.50 71.57 1m2k s THR 215 CO 0.31 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.64 1m2k h PRO 216 N 2.13 0.00 0.00 3.99 0.11 -1.81 -1.99 132.00 134.43 1m2k h PRO 216 Ca -0.30 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 1m2k h PRO 216 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1m2k h PRO 216 CO 0.45 0.00 -0.81 1.25 -0.21 0.00 0.00 178.00 178.68 1m2k h LEU 217 N 0.00 0.00 -0.81 2.35 5.85 -1.89 -3.39 115.31 117.42 1m2k h LEU 217 Ca 0.00 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.91 1m2k h LEU 217 Cb 0.14 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.05 1m2k h LEU 217 CO 0.00 0.31 0.22 0.74 -0.34 0.00 0.00 178.44 179.37 1m2k h THR 218 N 0.00 0.45 -0.42 1.05 2.02 -1.75 -1.56 112.91 112.69 1m2k h THR 218 Ca -0.05 -0.09 0.12 0.00 0.77 0.00 0.00 66.41 67.16 1m2k h THR 218 Cb 1.28 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1m2k h THR 218 CO 0.03 0.05 0.35 -0.65 0.37 0.00 0.00 175.52 175.67 1m2k h PRO 219 N 0.27 0.00 -0.28 6.66 0.11 -1.78 -1.76 132.00 135.22 1m2k h PRO 219 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1m2k h PRO 219 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1m2k h PRO 219 CO -0.56 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 177.67 1m2k n ILE 220 N -4.12 0.64 -2.62 4.15 -5.35 -0.61 -4.96 119.36 106.49 1m2k n ILE 220 Ca 0.07 -0.82 -0.43 0.00 -0.27 0.00 0.00 62.75 61.31 1m2k n ILE 220 Cb 0.54 0.78 -0.02 0.00 -1.74 0.00 0.00 39.64 39.20 1m2k n ILE 220 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1m2k s ALA 221 N -1.05 3.60 0.27 -1.28 0.00 -0.67 -4.77 121.76 117.87 1m2k s ALA 221 Ca 0.24 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 1m2k s ALA 221 Cb 0.14 -3.53 0.45 0.00 0.00 0.00 0.00 23.12 20.18 1m2k s ALA 221 CO 0.19 -0.94 1.85 -0.44 0.00 0.00 0.00 175.76 176.42 1m2k h ASP 222 N 7.48 0.94 -3.88 0.00 3.32 -1.66 -3.40 116.42 119.23 1m2k h ASP 222 Ca -0.24 0.03 -0.36 0.00 0.02 0.00 0.00 57.03 56.48 1m2k h ASP 222 Cb 1.09 -0.17 -0.29 0.00 0.22 0.00 0.00 39.33 40.18 1m2k h ASP 222 CO 0.94 0.56 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.95 1m2k s TYR 223 N -6.01 0.60 -0.28 4.55 1.51 -0.95 -5.04 117.35 111.74 1m2k s TYR 223 Ca -0.12 -0.12 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 1m2k s TYR 223 Cb 0.21 -0.42 0.09 0.00 -0.11 0.00 0.00 41.96 41.73 1m2k s TYR 223 CO 0.81 -0.04 0.12 0.45 -1.11 0.00 0.00 175.55 175.78 1m2k s SER 224 N 0.02 3.46 -0.39 2.29 0.15 -1.26 -0.55 113.70 117.41 1m2k s SER 224 Ca 0.00 -1.25 -0.23 0.00 0.70 0.00 0.00 55.95 55.17 1m2k s SER 224 Cb -0.04 -0.43 0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1m2k s SER 224 CO -0.00 -0.42 0.79 -0.76 1.20 0.00 0.00 173.24 174.05 1m2k s LEU 225 N 2.02 4.16 -1.40 3.45 2.01 0.46 -4.97 118.68 124.40 1m2k s LEU 225 Ca 0.08 0.22 -0.13 0.00 0.01 0.00 0.00 54.13 54.31 1m2k s LEU 225 Cb -0.16 -3.01 0.07 0.00 0.01 0.00 0.00 46.19 43.10 1m2k s LEU 225 CO -0.31 -0.79 2.08 -1.14 1.01 0.00 0.00 176.35 177.20 1m2k n ARG 226 N 6.52 3.07 -3.05 1.70 3.00 -1.25 -1.75 116.66 124.90 1m2k n ARG 226 Ca 0.03 -2.91 -0.07 0.00 -0.00 0.00 0.00 57.85 54.90 1m2k n ARG 226 Cb 0.48 -3.23 0.01 0.00 0.00 0.00 0.00 32.46 29.72 1m2k n ARG 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1m2k n GLY 227 N 3.97 1.60 3.75 5.14 0.00 -1.18 -4.74 105.19 113.73 1m2k n GLY 227 Ca 0.49 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1m2k n GLY 227 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m2k s LYS 228 N -2.21 4.80 0.33 1.61 1.02 -1.26 -2.71 119.74 121.32 1m2k s LYS 228 Ca 0.14 1.55 0.02 0.00 0.02 0.00 0.00 55.97 57.70 1m2k s LYS 228 Cb -0.03 -3.24 0.62 0.00 -0.52 0.00 0.00 37.83 34.66 1m2k s LYS 228 CO 0.10 0.44 1.96 0.00 -0.92 0.00 0.00 175.35 176.93 1m2k h ALA 229 N 4.03 1.57 0.29 5.17 0.00 -1.89 -1.12 119.26 127.31 1m2k h ALA 229 Ca -0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1m2k h ALA 229 Cb 1.20 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1m2k h ALA 229 CO 0.68 0.34 -0.16 0.78 0.00 0.00 0.00 179.25 180.89 1m2k h GLY 230 N 0.91 -0.43 0.70 0.00 0.00 -1.92 0.94 103.07 103.27 1m2k h GLY 230 Ca 0.31 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 1m2k h GLY 230 CO -0.10 -0.16 -0.00 0.83 0.00 0.00 0.00 176.54 177.11 1m2k h GLU 231 N -0.42 0.07 0.04 4.80 5.08 -1.89 -2.48 114.58 119.79 1m2k h GLU 231 Ca -0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1m2k h GLU 231 Cb 0.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1m2k h GLU 231 CO 0.05 0.38 -0.02 0.28 -1.00 0.00 0.00 179.01 178.70 1m2k h VAL 232 N -0.24 1.04 -0.37 3.13 2.07 -1.21 -2.57 116.25 118.10 1m2k h VAL 232 Ca 0.01 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 1m2k h VAL 232 Cb 0.35 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1m2k h VAL 232 CO 0.00 0.07 -0.12 0.24 0.02 0.00 0.00 177.57 177.78 1m2k h MET 233 N -0.18 0.65 0.29 1.57 2.86 -0.90 -0.67 114.93 118.55 1m2k h MET 233 Ca -0.01 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1m2k h MET 233 Cb 0.16 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1m2k h MET 233 CO 0.01 0.75 -0.14 0.22 1.06 0.00 0.00 176.91 178.81 1m2k h ASP 234 N 0.59 -0.33 -0.69 1.22 3.58 -1.38 -0.29 116.42 119.12 1m2k h ASP 234 Ca 0.10 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 1m2k h ASP 234 Cb 0.55 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1m2k h ASP 234 CO 0.03 -0.21 0.33 -0.08 -2.88 0.00 0.00 179.24 176.44 1m2k h GLU 235 N -0.43 0.99 0.03 0.28 4.81 -1.38 -1.68 114.58 117.20 1m2k h GLU 235 Ca -0.04 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1m2k h GLU 235 Cb 0.33 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1m2k h GLU 235 CO 0.07 0.78 -0.06 1.25 -0.73 0.00 0.00 179.01 180.31 1m2k h LEU 236 N 0.95 -0.18 -1.17 1.64 5.85 -0.91 -1.32 115.31 120.19 1m2k h LEU 236 Ca 0.24 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 1m2k h LEU 236 Cb 0.12 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1m2k h LEU 236 CO -0.03 -0.10 -0.36 0.58 -0.34 0.00 0.00 178.44 178.20 1m2k h VAL 237 N -0.13 1.27 -0.44 1.05 2.07 -0.95 -0.26 116.25 118.85 1m2k h VAL 237 Ca 0.02 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 1m2k h VAL 237 Cb 0.14 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1m2k h VAL 237 CO -0.04 0.38 0.11 -0.09 0.02 0.00 0.00 177.57 177.95 1m2k h ARG 238 N 0.09 0.71 -0.27 1.57 2.43 -0.94 0.03 114.38 118.00 1m2k h ARG 238 Ca 0.01 -0.17 -0.15 0.00 -0.81 0.00 0.00 59.98 58.86 1m2k h ARG 238 Cb 0.68 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1m2k h ARG 238 CO 0.05 0.70 -0.44 0.45 -1.51 0.00 0.00 179.97 179.22 1m2k h HIS 239 N 0.58 0.84 -0.47 2.20 3.86 -0.88 -2.47 115.15 118.81 1m2k h HIS 239 Ca 0.14 -0.26 -0.05 0.00 -1.16 0.00 0.00 60.37 59.04 1m2k h HIS 239 Cb 0.31 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1m2k h HIS 239 CO 0.02 1.01 0.09 0.28 0.86 0.00 0.00 177.93 180.18 1m2k h VAL 240 N 0.56 1.24 -0.80 2.45 2.07 -0.85 -1.46 116.25 119.46 1m2k h VAL 240 Ca 0.04 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1m2k h VAL 240 Cb 0.98 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1m2k h VAL 240 CO 0.09 0.31 0.45 -0.09 0.02 0.00 0.00 177.57 178.36 1m2k h ARG 241 N 0.64 1.11 -0.44 1.57 2.43 -0.92 -0.45 114.38 118.32 1m2k h ARG 241 Ca 0.14 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1m2k h ARG 241 Cb 0.37 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1m2k h ARG 241 CO 0.01 0.81 0.24 -0.22 -1.51 0.00 0.00 179.97 179.30 1m2k h LYS 242 N 1.11 0.62 -0.46 0.20 1.63 -1.22 -1.25 116.57 117.20 1m2k h LYS 242 Ca 0.28 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1m2k h LYS 242 Cb 0.01 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1m2k h LYS 242 CO -0.05 0.50 0.27 0.00 -3.45 0.00 0.00 179.45 176.72 1m2k h ALA 243 N 1.09 0.59 -0.34 5.00 0.00 -0.74 -2.47 119.26 122.40 1m2k h ALA 243 Ca 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1m2k h ALA 243 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1m2k h ALA 243 CO -0.02 0.09 0.02 -0.07 0.00 0.00 0.00 179.25 179.27 1m2k h LEU 244 N 0.61 0.47 -1.83 0.00 3.38 -0.85 -2.31 115.31 114.78 1m2k h LEU 244 Ca 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1m2k h LEU 244 Cb 0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1m2k h LEU 244 CO -0.03 0.53 -0.04 0.77 0.09 0.00 0.00 178.44 179.76 1m2k h SER 245 N 0.49 0.00 0.76 -0.43 4.64 -0.76 -2.54 113.55 115.71 1m2k h SER 245 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1m2k h SER 245 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1m2k h SER 245 CO 0.01 0.04 -0.34 0.18 -0.87 0.00 0.00 176.83 175.84 1m2k n LEU 246 N -3.20 0.40 -4.70 5.97 4.77 -0.87 -4.91 117.00 114.45 1m2k n LEU 246 Ca -0.01 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 1m2k n LEU 246 Cb 0.26 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1m2k n LEU 246 CO 0.27 0.04 1.20 -0.75 -1.33 0.00 0.00 177.39 176.83 1m2k s LYS 247 N -3.03 4.25 -0.29 3.23 2.20 -0.96 -4.96 119.74 120.18 1m2k s LYS 247 Ca 0.11 2.21 -0.29 0.00 -0.36 0.00 0.00 55.97 57.64 1m2k s LYS 247 Cb 0.17 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 1m2k s LYS 247 CO 0.65 -0.60 1.21 -1.17 -0.36 0.00 0.00 175.35 175.07 1m2k s LEU 248 N 1.86 3.95 0.00 5.43 1.98 -1.26 -5.10 118.68 125.54 1m2k s LEU 248 Ca 0.69 1.22 0.00 0.00 -2.89 0.00 0.00 54.13 53.15 1m2k s LEU 248 Cb -0.39 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 42.92 1m2k s LEU 248 CO 0.30 -0.95 0.00 -3.20 -1.89 0.00 0.00 176.35 170.61