#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e14 h LEU 12 N 0.00 0.14 -0.46 -2.12 5.85 -2.05 -2.02 115.31 114.64 1e14 h LEU 12 Ca 0.00 0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 1e14 h LEU 12 Cb 0.00 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1e14 h LEU 12 CO 0.00 -0.19 -0.37 0.00 -0.34 0.00 0.00 178.44 177.54 1e14 h ALA 13 N 1.84 0.64 0.00 1.25 0.00 -2.05 -1.04 119.26 119.89 1e14 h ALA 13 Ca 0.64 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1e14 h ALA 13 Cb 1.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1e14 h ALA 13 CO -0.67 0.67 -0.06 0.66 0.00 0.00 0.00 179.25 179.85 1e14 h SER 14 N 0.72 0.00 -0.04 0.00 4.64 -1.82 -1.55 113.55 115.50 1e14 h SER 14 Ca 0.06 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 1e14 h SER 14 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1e14 h SER 14 CO 0.09 0.06 -0.26 0.25 -0.87 0.00 0.00 176.83 176.10 1e14 h LEU 15 N 0.00 0.29 -0.92 5.97 6.46 -1.13 -2.49 115.31 123.49 1e14 h LEU 15 Ca -0.00 -0.69 0.04 0.00 -0.12 0.00 0.00 57.88 57.11 1e14 h LEU 15 Cb 0.82 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.60 1e14 h LEU 15 CO 0.01 0.94 0.59 0.00 -0.62 0.00 0.00 178.44 179.36 1e14 h ALA 16 N 0.37 1.22 -0.06 1.25 0.00 -1.06 0.67 119.26 121.66 1e14 h ALA 16 Ca -0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 1e14 h ALA 16 Cb 0.94 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 18.44 1e14 h ALA 16 CO 0.05 0.44 -0.94 0.97 0.00 0.00 0.00 179.25 179.78 1e14 h ILE 17 N 1.14 1.28 0.20 0.00 6.09 -1.37 -1.33 117.51 123.53 1e14 h ILE 17 Ca 0.37 -2.15 -0.01 0.00 -1.37 0.00 0.00 64.86 61.70 1e14 h ILE 17 Cb 0.03 2.23 0.00 0.00 0.47 0.00 0.00 36.82 39.55 1e14 h ILE 17 CO -0.13 0.67 -0.10 0.22 -3.07 0.00 0.00 178.15 175.75 1e14 h TYR 18 N 0.44 -0.25 -0.52 2.19 3.20 -1.12 -2.07 116.97 118.84 1e14 h TYR 18 Ca -0.10 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.80 1e14 h TYR 18 Cb 1.58 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.91 1e14 h TYR 18 CO 0.09 -0.14 0.35 0.77 -1.64 0.00 0.00 178.16 177.59 1e14 h SER 19 N -0.29 0.50 -0.11 -2.11 0.02 -0.91 -2.49 113.55 108.15 1e14 h SER 19 Ca -0.03 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.74 1e14 h SER 19 Cb 0.23 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1e14 h SER 19 CO 0.05 0.34 -0.55 0.15 -1.14 0.00 0.00 176.83 175.67 1e14 h PHE 20 N 0.58 0.89 -0.30 3.45 3.57 -0.86 -1.81 116.94 122.46 1e14 h PHE 20 Ca 0.21 -0.32 -0.10 0.00 3.53 0.00 0.00 57.97 61.29 1e14 h PHE 20 Cb 0.13 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1e14 h PHE 20 CO -0.00 1.10 -0.25 -1.49 -2.23 0.00 0.00 178.31 175.44 1e14 h TRP 21 N 0.54 0.65 -0.16 0.41 4.06 -0.93 -0.21 115.95 120.32 1e14 h TRP 21 Ca 0.01 -0.14 -0.04 0.00 2.06 0.00 0.00 58.89 60.78 1e14 h TRP 21 Cb 1.13 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 29.13 1e14 h TRP 21 CO 0.06 0.78 -0.05 0.82 -3.56 0.00 0.00 178.44 176.49 1e14 h ILE 22 N 0.51 1.29 0.21 1.49 2.04 -1.45 -1.86 117.51 119.75 1e14 h ILE 22 Ca 0.07 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1e14 h ILE 22 Cb 0.70 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1e14 h ILE 22 CO 0.05 0.30 -0.11 0.15 0.00 0.00 0.00 178.15 178.55 1e14 h PHE 23 N 0.01 -0.29 -0.83 1.37 3.57 -1.12 -2.15 116.94 117.50 1e14 h PHE 23 Ca 0.04 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.66 1e14 h PHE 23 Cb 0.49 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 1e14 h PHE 23 CO 0.06 -0.18 0.54 1.25 -2.23 0.00 0.00 178.31 177.75 1e14 h LEU 24 N -0.30 0.61 -0.36 0.59 5.85 -0.98 -0.56 115.31 120.17 1e14 h LEU 24 Ca -0.03 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1e14 h LEU 24 Cb 0.24 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1e14 h LEU 24 CO 0.04 0.33 -0.34 0.00 -0.34 0.00 0.00 178.44 178.13 1e14 h ALA 25 N 1.61 0.52 -0.52 1.25 0.00 -0.98 -0.68 119.26 120.46 1e14 h ALA 25 Ca 0.40 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1e14 h ALA 25 Cb 0.64 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1e14 h ALA 25 CO -0.17 0.59 0.28 0.78 0.00 0.00 0.00 179.25 180.74 1e14 h GLY 26 N 0.66 0.73 0.95 0.00 0.00 -0.49 -2.13 103.07 102.79 1e14 h GLY 26 Ca 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1e14 h GLY 26 CO 0.09 0.14 0.13 -2.00 0.00 0.00 0.00 176.54 174.90 1e14 h LEU 27 N 0.55 0.64 -0.58 3.11 7.12 -1.20 0.72 115.31 125.67 1e14 h LEU 27 Ca 0.22 -0.21 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 1e14 h LEU 27 Cb 0.09 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.03 1e14 h LEU 27 CO -0.13 0.68 0.26 0.40 -0.13 0.00 0.00 178.44 179.52 1e14 h ILE 28 N 0.57 1.21 0.30 4.05 2.04 -0.81 0.25 117.51 125.13 1e14 h ILE 28 Ca 0.14 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1e14 h ILE 28 Cb 0.27 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1e14 h ILE 28 CO -0.00 0.25 -0.26 0.22 0.00 0.00 0.00 178.15 178.35 1e14 h TYR 29 N 0.79 -0.69 -0.18 1.37 3.20 -1.20 0.95 116.97 121.21 1e14 h TYR 29 Ca 0.20 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.12 1e14 h TYR 29 Cb 0.14 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 1e14 h TYR 29 CO 0.00 -0.38 -0.15 -0.92 -1.64 0.00 0.00 178.16 175.07 1e14 h TYR 30 N -0.57 -0.36 -0.62 -3.82 3.20 -0.45 -0.60 116.97 113.74 1e14 h TYR 30 Ca -0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1e14 h TYR 30 Cb 0.51 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 1e14 h TYR 30 CO -0.15 -0.21 0.29 -0.07 -1.64 0.00 0.00 178.16 176.38 1e14 h LEU 31 N -0.15 0.81 -0.29 2.82 3.38 -0.24 0.12 115.31 121.75 1e14 h LEU 31 Ca 0.11 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1e14 h LEU 31 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1e14 h LEU 31 CO -0.28 0.72 -0.17 -0.61 0.09 0.00 0.00 178.44 178.19 1e14 h GLN 32 N 0.85 0.63 -0.22 1.13 5.75 0.14 -2.59 115.11 120.80 1e14 h GLN 32 Ca 0.21 -0.29 -0.06 0.00 -0.15 0.00 0.00 58.65 58.37 1e14 h GLN 32 Cb 0.13 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1e14 h GLN 32 CO -0.03 0.88 -0.11 1.79 -2.65 0.00 0.00 178.83 178.71 1e14 h THR 33 N 0.38 1.20 0.00 2.39 1.35 -0.97 -0.83 112.91 116.42 1e14 h THR 33 Ca 0.06 -0.85 -0.01 0.00 -0.55 0.00 0.00 66.41 65.06 1e14 h THR 33 Cb 0.71 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1e14 h THR 33 CO 0.05 0.27 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.20 1e14 h GLU 34 N 0.33 0.00 -0.66 4.72 4.39 -0.80 -0.61 114.58 121.95 1e14 h GLU 34 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1e14 h GLU 34 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1e14 h GLU 34 CO 0.02 0.06 0.00 0.09 -1.16 0.00 0.00 179.01 178.02 1e14 n ASN 35 N -3.49 4.17 -0.84 1.42 3.02 -0.32 -3.57 115.26 115.65 1e14 n ASN 35 Ca -0.02 -2.54 0.07 0.00 -0.03 0.00 0.00 54.58 52.06 1e14 n ASN 35 Cb 0.18 -0.58 0.20 0.00 -0.61 0.00 0.00 39.78 38.97 1e14 n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1e14 n MET 36 N 0.59 2.78 -0.00 3.52 2.81 -0.24 -4.58 117.12 122.00 1e14 n MET 36 Ca 0.20 -2.20 0.01 0.00 -1.81 0.00 0.00 57.70 53.90 1e14 n MET 36 Cb 0.85 -1.35 0.07 0.00 -0.71 0.00 0.00 33.22 32.08 1e14 n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1e14 n ARG 37 N 0.84 1.02 -3.68 0.03 1.74 -1.23 -4.43 116.66 110.94 1e14 n ARG 37 Ca 0.15 -0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 57.08 1e14 n ARG 37 Cb 0.48 -1.04 -0.09 0.00 -1.02 0.00 0.00 32.46 30.79 1e14 n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1e14 s GLU 38 N -1.99 0.62 0.00 5.56 0.41 -1.26 -4.35 118.70 117.68 1e14 s GLU 38 Ca 0.04 0.82 0.00 0.00 -0.41 0.00 0.00 54.97 55.42 1e14 s GLU 38 Cb 0.02 0.25 0.00 0.00 -1.78 0.00 0.00 34.13 32.62 1e14 s GLU 38 CO 0.03 -0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.11 1e14 n GLY 39 N 3.14 1.23 3.43 -1.39 0.00 -1.26 -5.03 105.19 105.31 1e14 n GLY 39 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1e14 n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1e14 s TYR 40 N -3.01 2.41 0.61 1.61 1.51 -1.26 -4.18 117.35 115.04 1e14 s TYR 40 Ca 0.00 -0.33 -0.16 0.00 -1.01 0.00 0.00 57.07 55.57 1e14 s TYR 40 Cb 0.00 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1e14 s TYR 40 CO 0.00 0.37 1.09 -2.14 -1.11 0.00 0.00 175.55 173.76 1e14 s PRO 41 N -2.14 3.12 0.72 -1.71 0.02 -1.26 -4.85 135.00 128.90 1e14 s PRO 41 Ca 0.16 1.37 -0.16 0.00 0.02 0.00 0.00 61.00 62.40 1e14 s PRO 41 Cb -0.10 -1.99 0.02 0.00 0.02 0.00 0.00 34.50 32.45 1e14 s PRO 41 CO 0.08 -0.99 1.16 1.28 -0.33 0.00 0.00 177.00 178.20 1e14 n LEU 42 N -2.00 4.76 -4.22 -5.54 4.77 -1.26 -4.92 117.00 108.59 1e14 n LEU 42 Ca 0.10 0.71 -0.17 0.00 -0.03 0.00 0.00 56.01 56.62 1e14 n LEU 42 Cb 0.52 -1.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.01 1e14 n LEU 42 CO 0.46 -1.53 -0.44 -1.61 -1.33 0.00 0.00 177.39 172.94 1e14 s GLU 43 N -3.57 0.96 0.94 3.23 2.02 -1.26 -2.03 118.70 118.98 1e14 s GLU 43 Ca 0.77 -1.21 -0.14 0.00 0.02 0.00 0.00 54.97 54.41 1e14 s GLU 43 Cb -0.34 -0.77 0.16 0.00 0.10 0.00 0.00 34.13 33.28 1e14 s GLU 43 CO 0.46 0.14 1.19 -0.80 0.02 0.00 0.00 175.26 176.28 1e14 s ASN 44 N -2.46 3.26 0.19 -0.19 0.01 -0.31 -4.70 114.94 110.74 1e14 s ASN 44 Ca 0.08 0.69 0.14 0.00 -0.71 0.00 0.00 52.86 53.06 1e14 s ASN 44 Cb -0.04 -1.06 0.74 0.00 0.41 0.00 0.00 41.25 41.30 1e14 s ASN 44 CO 0.02 -2.68 1.44 -0.62 -1.51 0.00 0.00 177.10 173.75 1e14 n GLU 45 N -3.81 0.09 0.00 -0.60 1.02 -1.26 -1.10 120.64 114.98 1e14 n GLU 45 Ca 0.10 0.55 0.12 0.00 -0.02 0.00 0.00 57.16 57.90 1e14 n GLU 45 Cb 0.60 -1.77 0.11 0.00 -0.02 0.00 0.00 31.44 30.35 1e14 n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1e14 n ASP 46 N -1.96 2.11 0.00 1.62 5.68 -1.26 -4.96 116.55 117.77 1e14 n ASP 46 Ca -0.00 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 1e14 n ASP 46 Cb 0.05 0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1e14 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1e14 n GLY 47 N 1.38 0.25 3.88 6.12 0.00 -0.26 -5.06 105.19 111.50 1e14 n GLY 47 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1e14 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1e14 s THR 48 N -2.00 3.89 0.17 2.61 -4.23 -1.26 -4.82 115.64 110.01 1e14 s THR 48 Ca 0.00 0.59 -0.31 0.00 -1.18 0.00 0.00 61.69 60.80 1e14 s THR 48 Cb 0.00 -3.61 -0.09 0.00 1.34 0.00 0.00 72.50 70.15 1e14 s THR 48 CO 0.00 -0.79 1.40 -2.84 -0.54 0.00 0.00 174.62 171.85 1e14 s PRO 49 N -5.29 4.32 0.64 3.99 0.02 -1.26 -1.17 135.00 136.25 1e14 s PRO 49 Ca 0.57 2.15 -0.15 0.00 0.02 0.00 0.00 61.00 63.59 1e14 s PRO 49 Cb -0.11 -3.19 -0.01 0.00 0.02 0.00 0.00 34.50 31.21 1e14 s PRO 49 CO 0.52 -0.40 1.08 0.00 -0.33 0.00 0.00 177.00 177.88 1e14 s ALA 50 N 0.58 2.59 -0.00 -1.55 0.00 -0.86 -4.66 121.76 117.85 1e14 s ALA 50 Ca 0.62 0.45 -0.23 0.00 0.00 0.00 0.00 51.96 52.80 1e14 s ALA 50 Cb -0.39 -3.27 -0.13 0.00 0.00 0.00 0.00 23.12 19.33 1e14 s ALA 50 CO 0.35 -1.09 0.96 0.00 0.00 0.00 0.00 175.76 175.98 1e14 h ALA 51 N 0.13 -0.84 -1.85 0.00 0.00 -1.94 -3.41 119.26 111.35 1e14 h ALA 51 Ca -0.47 -0.18 -0.61 0.00 0.00 0.00 0.00 54.91 53.65 1e14 h ALA 51 Cb 1.23 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 1e14 h ALA 51 CO 0.56 -0.78 0.54 -0.80 0.00 0.00 0.00 179.25 178.76 1e14 s ASN 52 N -4.51 6.37 0.00 0.00 0.02 -1.26 -4.88 114.94 110.67 1e14 s ASN 52 Ca -0.12 -0.27 0.26 0.00 -1.02 0.00 0.00 52.86 51.71 1e14 s ASN 52 Cb 0.01 -2.43 0.77 0.00 0.02 0.00 0.00 41.25 39.62 1e14 s ASN 52 CO 0.36 -1.16 1.59 0.00 0.02 0.00 0.00 177.10 177.90 1e14 n GLN 53 N 7.32 1.88 0.00 -0.60 1.13 -1.26 -4.98 117.38 120.87 1e14 n GLN 53 Ca 0.02 -1.28 0.00 0.00 -1.94 0.00 0.00 57.00 53.80 1e14 n GLN 53 Cb 0.48 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.35 1e14 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1e14 n GLY 54 N 1.23 -3.03 0.29 1.08 0.00 -1.26 -4.64 105.19 98.87 1e14 n GLY 54 Ca 0.17 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.55 1e14 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e14 n PRO 55 N -0.54 0.83 -3.81 1.61 -0.04 -1.26 -4.84 135.00 126.95 1e14 n PRO 55 Ca 0.00 -0.59 -0.36 0.00 -0.04 0.00 0.00 63.50 62.51 1e14 n PRO 55 Cb 0.00 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 31.86 1e14 n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1e14 s PHE 56 N -2.58 3.20 0.47 0.54 0.08 -1.26 -5.09 117.98 113.34 1e14 s PHE 56 Ca 0.20 -0.06 -0.21 0.00 0.12 0.00 0.00 56.93 56.98 1e14 s PHE 56 Cb 0.18 -2.21 -0.09 0.00 -0.57 0.00 0.00 43.02 40.34 1e14 s PHE 56 CO 0.58 -0.08 1.03 -1.25 -0.10 0.00 0.00 175.22 175.40 1e14 s PRO 57 N 1.12 3.88 0.49 0.24 0.04 -1.26 -5.02 135.00 134.49 1e14 s PRO 57 Ca 0.05 1.35 -0.24 0.00 0.04 0.00 0.00 61.00 62.20 1e14 s PRO 57 Cb -0.14 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 1e14 s PRO 57 CO 0.04 -0.36 1.38 -0.51 0.04 0.00 0.00 177.00 177.59 1e14 s LEU 58 N -3.38 3.99 0.53 -3.56 1.43 -1.26 -4.81 118.68 111.62 1e14 s LEU 58 Ca 0.66 2.82 -0.18 0.00 -1.03 0.00 0.00 54.13 56.40 1e14 s LEU 58 Cb -0.16 -4.10 -0.07 0.00 0.03 0.00 0.00 46.19 41.90 1e14 s LEU 58 CO 0.20 -1.34 1.03 -2.16 0.23 0.00 0.00 176.35 174.31 1e14 s PRO 59 N -2.66 3.66 0.34 1.29 0.04 -1.26 -5.00 135.00 131.41 1e14 s PRO 59 Ca 0.66 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 1e14 s PRO 59 Cb -0.42 -2.08 -0.12 0.00 0.04 0.00 0.00 34.50 31.93 1e14 s PRO 59 CO 0.51 -0.53 1.46 1.63 0.04 0.00 0.00 177.00 180.12 1e14 n LYS 60 N -1.44 2.53 -0.92 4.56 4.76 -1.26 -4.56 118.16 121.82 1e14 n LYS 60 Ca 0.09 0.89 -0.33 0.00 -2.87 0.00 0.00 58.31 56.08 1e14 n LYS 60 Cb 0.53 -2.59 0.13 0.00 -1.84 0.00 0.00 35.03 31.26 1e14 n LYS 60 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1e14 n PRO 61 N 0.95 -0.11 -3.98 1.97 -0.02 -1.26 -4.81 135.00 127.74 1e14 n PRO 61 Ca 0.04 0.03 -0.09 0.00 -2.02 0.00 0.00 63.50 61.47 1e14 n PRO 61 Cb 0.37 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.55 1e14 n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1e14 s LYS 62 N -3.99 0.58 -0.08 -0.52 -2.85 -1.09 -4.97 119.74 106.82 1e14 s LYS 62 Ca 0.67 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 54.74 1e14 s LYS 62 Cb -0.26 0.22 0.02 0.00 -2.06 0.00 0.00 37.83 35.75 1e14 s LYS 62 CO 0.58 -0.13 -0.07 0.99 0.10 0.00 0.00 175.35 176.81 1e14 s THR 63 N -2.98 0.87 -0.14 3.79 2.01 -1.26 -1.36 115.64 116.57 1e14 s THR 63 Ca -0.02 -0.24 -0.14 0.00 0.31 0.00 0.00 61.69 61.60 1e14 s THR 63 Cb 0.01 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 1e14 s THR 63 CO -0.06 0.32 0.30 -0.36 -0.69 0.00 0.00 174.62 174.12 1e14 s PHE 64 N 1.34 3.49 -0.43 4.92 0.40 0.45 -4.89 117.98 123.26 1e14 s PHE 64 Ca -0.03 0.63 -0.20 0.00 -0.60 0.00 0.00 56.93 56.73 1e14 s PHE 64 Cb -0.14 -2.32 0.02 0.00 0.51 0.00 0.00 43.02 41.10 1e14 s PHE 64 CO -0.03 0.30 0.60 0.42 0.70 0.00 0.00 175.22 177.21 1e14 s ILE 65 N 0.25 4.88 0.47 0.64 1.01 -1.26 -0.72 121.20 126.47 1e14 s ILE 65 Ca 0.17 0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 1e14 s ILE 65 Cb -0.13 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.08 1e14 s ILE 65 CO 0.05 -0.56 1.00 -0.76 0.00 0.00 0.00 174.94 174.67 1e14 s LEU 66 N 2.67 3.84 -0.03 2.97 1.43 -0.24 -5.01 118.68 124.31 1e14 s LEU 66 Ca 0.20 1.80 0.05 0.00 -1.03 0.00 0.00 54.13 55.15 1e14 s LEU 66 Cb -0.15 -4.55 -0.25 0.00 0.03 0.00 0.00 46.19 41.28 1e14 s LEU 66 CO 0.18 -0.63 0.72 1.55 0.23 0.00 0.00 176.35 178.39 1e14 h PRO 67 N 1.57 0.11 -2.22 1.29 0.13 -1.94 -3.38 132.00 127.56 1e14 h PRO 67 Ca -0.49 -0.19 -0.69 0.00 -0.87 0.00 0.00 66.00 63.76 1e14 h PRO 67 Cb 1.20 0.07 -0.35 0.00 0.13 0.00 0.00 31.00 32.05 1e14 h PRO 67 CO 0.60 0.83 0.15 0.72 -0.23 0.00 0.00 178.00 180.07 1e14 n HIS 68 N -3.25 3.43 -1.26 1.56 8.25 -1.26 -4.77 115.22 117.91 1e14 n HIS 68 Ca -0.18 -3.26 -0.09 0.00 -0.26 0.00 0.00 57.72 53.93 1e14 n HIS 68 Cb 1.04 -0.80 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 1e14 n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1e14 n GLY 69 N -0.20 1.02 0.37 -1.41 0.00 -1.26 -4.89 105.19 98.83 1e14 n GLY 69 Ca 0.39 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1e14 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e14 n ARG 70 N -2.16 1.48 0.00 1.61 5.12 -1.26 -5.01 116.66 116.44 1e14 n ARG 70 Ca -0.09 -0.73 0.00 0.00 -1.93 0.00 0.00 57.85 55.10 1e14 n ARG 70 Cb 0.36 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 1e14 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1e14 n GLY 71 N 0.99 0.27 3.34 -0.13 0.00 -1.26 -4.91 105.19 103.49 1e14 n GLY 71 Ca 0.14 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.20 1e14 n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1e14 s THR 72 N 0.00 0.63 -0.03 2.61 -4.23 -1.26 -1.08 115.64 112.29 1e14 s THR 72 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1e14 s THR 72 Cb 0.00 -2.65 0.03 0.00 1.34 0.00 0.00 72.50 71.21 1e14 s THR 72 CO 0.00 0.00 0.00 -0.22 -0.54 0.00 0.00 174.62 173.86 1e14 s LEU 73 N -3.34 1.14 -0.16 4.79 2.96 0.10 -4.93 118.68 119.23 1e14 s LEU 73 Ca 0.38 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1e14 s LEU 73 Cb 0.08 -0.23 0.03 0.00 0.50 0.00 0.00 46.19 46.57 1e14 s LEU 73 CO 0.14 -0.10 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.04 1e14 s THR 74 N 1.05 1.62 -0.02 3.68 2.01 -1.26 -0.41 115.64 122.32 1e14 s THR 74 Ca -0.09 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1e14 s THR 74 Cb -0.13 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 70.83 1e14 s THR 74 CO -0.02 0.39 -0.01 0.68 -0.69 0.00 0.00 174.62 174.97 1e14 s VAL 75 N 1.45 0.15 0.66 3.82 -7.23 -0.47 -3.57 120.40 115.22 1e14 s VAL 75 Ca 0.03 0.03 -0.13 0.00 -1.81 0.00 0.00 61.98 60.10 1e14 s VAL 75 Cb -0.14 -0.20 -0.00 0.00 0.56 0.00 0.00 36.38 36.60 1e14 s VAL 75 CO -0.10 0.10 1.07 -2.16 -0.31 0.00 0.00 175.10 173.70 1e14 s PRO 76 N 0.60 2.97 0.17 4.82 0.04 -1.26 -2.67 135.00 139.67 1e14 s PRO 76 Ca -0.06 1.13 -0.16 0.00 0.04 0.00 0.00 61.00 61.95 1e14 s PRO 76 Cb -0.09 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1e14 s PRO 76 CO -0.01 -1.08 0.46 0.20 0.04 0.00 0.00 177.00 176.61 1e14 s GLY 77 N -3.22 -0.12 -0.37 0.56 0.00 -1.23 -4.78 107.32 98.15 1e14 s GLY 77 Ca 0.62 -0.20 -0.42 0.00 0.00 0.00 0.00 44.72 44.72 1e14 s GLY 77 CO 0.47 -0.32 1.84 -1.55 0.00 0.00 0.00 173.10 173.54 1e14 n PRO 78 N -0.29 0.71 -3.56 2.90 -0.04 -1.26 -4.91 135.00 128.55 1e14 n PRO 78 Ca -0.12 0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 1e14 n PRO 78 Cb 0.63 -1.93 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 1e14 n PRO 78 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1e14 s GLU 79 N 4.18 2.80 -0.08 0.54 0.41 -1.26 -5.11 118.70 120.19 1e14 s GLU 79 Ca 1.05 -1.21 0.04 0.00 -0.41 0.00 0.00 54.97 54.44 1e14 s GLU 79 Cb -1.20 -3.82 -0.01 0.00 -1.78 0.00 0.00 34.13 27.31 1e14 s GLU 79 CO 0.67 -0.81 -0.21 0.45 -0.49 0.00 0.00 175.26 174.87 1e14 s SER 80 N 1.84 3.36 0.37 -0.19 0.15 -1.26 -5.08 113.70 112.89 1e14 s SER 80 Ca 0.03 -0.45 -0.28 0.00 0.70 0.00 0.00 55.95 55.95 1e14 s SER 80 Cb -0.21 -1.08 -0.11 0.00 -1.71 0.00 0.00 66.02 62.92 1e14 s SER 80 CO 0.06 0.23 1.43 -1.61 1.20 0.00 0.00 173.24 174.54 1e14 s GLU 81 N -0.06 4.14 -0.88 5.44 0.41 -1.26 -4.85 118.70 121.64 1e14 s GLU 81 Ca -0.06 2.45 0.01 0.00 -0.41 0.00 0.00 54.97 56.96 1e14 s GLU 81 Cb -0.14 -2.97 0.32 0.00 -1.78 0.00 0.00 34.13 29.56 1e14 s GLU 81 CO 0.05 -0.46 1.52 -0.25 -0.49 0.00 0.00 175.26 175.63 1e14 n ASP 82 N 0.49 6.35 0.00 -0.19 8.00 -1.26 -4.94 116.55 125.01 1e14 n ASP 82 Ca 0.01 -3.67 0.00 0.00 0.71 0.00 0.00 54.79 51.84 1e14 n ASP 82 Cb 0.40 -0.97 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1e14 n ASP 82 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1e14 n ARG 83 N -0.04 0.00 -2.18 -1.24 1.85 -1.26 -4.92 116.66 108.87 1e14 n ARG 83 Ca 0.41 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.84 1e14 n ARG 83 Cb 0.31 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.69 1e14 n ARG 83 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1e14 s PRO 84 N -2.00 4.33 -0.37 2.89 0.04 -1.26 -5.01 135.00 133.62 1e14 s PRO 84 Ca 0.00 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.00 1e14 s PRO 84 Cb 0.00 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.31 1e14 s PRO 84 CO 0.00 -0.43 0.18 0.42 0.04 0.00 0.00 177.00 177.21 1e14 s ILE 85 N 1.12 4.34 -1.48 0.56 1.01 -1.26 -5.00 121.20 120.49 1e14 s ILE 85 Ca 0.64 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 1e14 s ILE 85 Cb -0.36 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1e14 s ILE 85 CO 0.30 -0.23 2.43 0.00 0.00 0.00 0.00 174.94 177.44 1e14 n ALA 86 N 4.94 6.26 -2.93 9.38 0.00 -1.26 -4.84 120.51 132.07 1e14 n ALA 86 Ca -0.12 -3.83 -0.11 0.00 0.00 0.00 0.00 53.44 49.38 1e14 n ALA 86 Cb 0.45 -3.37 -0.12 0.00 0.00 0.00 0.00 19.45 16.41 1e14 n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1e14 s LEU 87 N 0.99 2.20 0.13 0.00 1.43 -1.26 -1.38 118.68 120.79 1e14 s LEU 87 Ca 0.54 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1e14 s LEU 87 Cb 0.15 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.34 1e14 s LEU 87 CO -0.07 -0.22 -0.11 0.00 0.23 0.00 0.00 176.35 176.18 1e14 s ALA 88 N -1.17 1.40 0.75 4.21 0.00 -0.35 -4.90 121.76 121.69 1e14 s ALA 88 Ca -0.12 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.33 1e14 s ALA 88 Cb -0.08 0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.08 1e14 s ALA 88 CO -0.01 -0.02 1.11 0.54 0.00 0.00 0.00 175.76 177.38 1e14 n ARG 89 N 0.19 0.46 -0.04 0.00 1.74 -1.26 -0.59 116.66 117.15 1e14 n ARG 89 Ca -0.13 0.22 0.02 0.00 -0.77 0.00 0.00 57.85 57.19 1e14 n ARG 89 Cb 0.59 -2.36 0.04 0.00 -1.02 0.00 0.00 32.46 29.71 1e14 n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1e14 n THR 90 N -2.75 1.08 -3.68 0.55 -2.24 -1.20 -4.75 114.28 101.29 1e14 n THR 90 Ca 0.14 -1.10 -0.10 0.00 -2.27 0.00 0.00 64.05 60.71 1e14 n THR 90 Cb 0.50 0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 1e14 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e14 s ALA 91 N -1.16 -0.80 -2.24 6.98 0.00 -1.26 -5.04 121.76 118.24 1e14 s ALA 91 Ca 0.07 -0.16 0.23 0.00 0.00 0.00 0.00 51.96 52.10 1e14 s ALA 91 Cb 0.05 0.66 0.97 0.00 0.00 0.00 0.00 23.12 24.80 1e14 s ALA 91 CO 0.03 -0.62 1.67 1.33 0.00 0.00 0.00 175.76 178.17 1e14 n VAL 92 N -0.20 0.11 -4.12 0.00 0.24 -1.26 -4.88 118.33 108.22 1e14 n VAL 92 Ca -0.16 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 61.82 1e14 n VAL 92 Cb 0.63 0.19 -0.10 0.00 -1.47 0.00 0.00 33.84 33.10 1e14 n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1e14 s SER 93 N -1.69 0.29 0.41 -1.34 1.04 -1.26 -5.14 113.70 106.02 1e14 s SER 93 Ca 0.34 -1.16 -0.22 0.00 0.48 0.00 0.00 55.95 55.39 1e14 s SER 93 Cb 0.17 0.30 -0.14 0.00 0.10 0.00 0.00 66.02 66.46 1e14 s SER 93 CO 0.27 -0.74 0.27 -0.62 0.98 0.00 0.00 173.24 173.41 1e14 n GLU 94 N -0.09 0.22 -0.34 4.02 4.71 -1.26 -4.25 120.64 123.65 1e14 n GLU 94 Ca -0.06 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1e14 n GLU 94 Cb 0.63 -1.21 0.00 0.00 -1.01 0.00 0.00 31.44 29.85 1e14 n GLU 94 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1e14 n GLY 95 N 2.12 0.79 3.94 0.62 0.00 -1.26 -5.07 105.19 106.33 1e14 n GLY 95 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1e14 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1e14 s PHE 96 N -2.17 1.68 0.45 1.61 0.40 -1.26 -5.11 117.98 113.58 1e14 s PHE 96 Ca 0.00 -0.77 -0.21 0.00 -0.60 0.00 0.00 56.93 55.36 1e14 s PHE 96 Cb 0.00 -2.04 -0.10 0.00 0.51 0.00 0.00 43.02 41.39 1e14 s PHE 96 CO 0.00 -0.66 0.98 -2.14 0.70 0.00 0.00 175.22 174.11 1e14 s PRO 97 N -4.39 4.06 -0.30 0.24 0.02 -1.26 -4.94 135.00 128.43 1e14 s PRO 97 Ca 0.44 1.20 -0.06 0.00 0.02 0.00 0.00 61.00 62.61 1e14 s PRO 97 Cb -0.03 -2.15 0.02 0.00 0.02 0.00 0.00 34.50 32.36 1e14 s PRO 97 CO 0.28 -0.19 0.07 -1.01 -0.33 0.00 0.00 177.00 175.81 1e14 s HIS 98 N -2.12 3.17 0.07 6.54 3.76 -1.26 -3.27 115.29 122.17 1e14 s HIS 98 Ca 0.64 -1.20 -0.26 0.00 -0.15 0.00 0.00 55.06 54.08 1e14 s HIS 98 Cb -0.12 -2.23 -0.06 0.00 1.11 0.00 0.00 32.58 31.29 1e14 s HIS 98 CO 0.16 -0.65 0.83 0.00 -0.85 0.00 0.00 174.74 174.23 1e14 s ALA 99 N 1.44 3.33 0.29 -1.40 0.00 0.24 -4.72 121.76 120.94 1e14 s ALA 99 Ca 0.01 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 1e14 s ALA 99 Cb -0.18 -3.08 -0.12 0.00 0.00 0.00 0.00 23.12 19.74 1e14 s ALA 99 CO 0.02 0.04 1.48 -0.35 0.00 0.00 0.00 175.76 176.95 1e14 n PRO 100 N 2.80 2.39 0.00 0.00 -0.04 -1.26 -1.21 135.00 137.68 1e14 n PRO 100 Ca -0.01 0.85 0.13 0.00 -0.04 0.00 0.00 63.50 64.43 1e14 n PRO 100 Cb 0.50 -2.56 0.47 0.00 -0.04 0.00 0.00 33.50 31.87 1e14 n PRO 100 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1e14 n THR 101 N 1.70 0.00 0.00 0.52 -2.24 -0.48 -4.88 114.28 108.90 1e14 n THR 101 Ca 0.09 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1e14 n THR 101 Cb 0.35 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1e14 n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1e14 n GLY 102 N 1.46 3.63 3.45 3.38 0.00 -1.26 -5.07 105.19 110.78 1e14 n GLY 102 Ca 0.08 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1e14 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1e14 s ASP 103 N 1.51 5.23 0.36 1.61 -1.08 -1.26 -4.97 116.67 118.07 1e14 s ASP 103 Ca 0.00 -0.26 0.15 0.00 -0.52 0.00 0.00 52.55 51.92 1e14 s ASP 103 Cb 0.00 -1.94 0.70 0.00 -1.46 0.00 0.00 42.92 40.21 1e14 s ASP 103 CO 0.00 -0.06 1.78 1.55 0.52 0.00 0.00 175.17 178.96 1e14 h PRO 104 N 8.26 0.00 -0.22 4.34 0.13 -1.93 0.42 132.00 142.99 1e14 h PRO 104 Ca -0.37 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.70 1e14 h PRO 104 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1e14 h PRO 104 CO 0.58 0.41 -0.08 0.52 -0.23 0.00 0.00 178.00 179.20 1e14 h MET 105 N 0.00 0.45 -0.01 0.86 2.86 -1.93 -1.67 114.93 115.49 1e14 h MET 105 Ca -0.00 -0.18 -0.22 0.00 -2.06 0.00 0.00 59.70 57.23 1e14 h MET 105 Cb 0.78 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1e14 h MET 105 CO 0.05 0.71 -0.92 0.87 1.06 0.00 0.00 176.91 178.68 1e14 h LYS 106 N 0.16 0.44 0.00 1.72 1.57 -1.75 -3.24 116.57 115.47 1e14 h LYS 106 Ca 0.05 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.34 1e14 h LYS 106 Cb 0.56 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1e14 h LYS 106 CO 0.03 1.11 -0.17 -0.44 -0.57 0.00 0.00 179.45 179.41 1e14 h ASP 107 N 0.26 0.00 -3.53 0.86 3.32 -0.25 -3.48 116.42 113.60 1e14 h ASP 107 Ca -0.08 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1e14 h ASP 107 Cb 1.55 0.00 0.04 0.00 0.22 0.00 0.00 39.33 41.14 1e14 h ASP 107 CO 0.16 0.17 -0.15 0.61 -1.72 0.00 0.00 179.24 178.31 1e14 n GLY 108 N 0.65 0.29 3.15 2.75 0.00 -0.64 -4.81 105.19 106.58 1e14 n GLY 108 Ca 0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1e14 n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1e14 s VAL 109 N -3.07 0.13 0.00 1.61 -7.23 -1.11 -4.09 120.40 106.64 1e14 s VAL 109 Ca 0.08 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1e14 s VAL 109 Cb -0.01 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.93 1e14 s VAL 109 CO 0.16 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 1e14 n GLY 110 N -0.08 0.41 0.23 2.32 0.00 -1.26 -1.66 105.19 105.15 1e14 n GLY 110 Ca -0.06 -0.82 0.14 0.00 0.00 0.00 0.00 46.02 45.27 1e14 n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1e14 h PRO 111 N 0.00 0.00 -0.28 1.61 0.13 -1.94 0.29 132.00 131.81 1e14 h PRO 111 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1e14 h PRO 111 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1e14 h PRO 111 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1e14 n ALA 112 N -1.84 2.48 -0.70 -0.56 0.00 -0.66 -3.12 120.51 116.11 1e14 n ALA 112 Ca -0.02 -0.63 -0.33 0.00 0.00 0.00 0.00 53.44 52.47 1e14 n ALA 112 Cb 0.12 -1.02 0.16 0.00 0.00 0.00 0.00 19.45 18.71 1e14 n ALA 112 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1e14 n SER 113 N 0.55 -2.37 -3.67 0.00 7.64 0.10 -3.88 113.62 112.00 1e14 n SER 113 Ca 0.15 -0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.85 1e14 n SER 113 Cb 0.35 -0.98 -0.06 0.00 -1.01 0.00 0.00 64.21 62.51 1e14 n SER 113 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 1e14 s TRP 114 N -2.25 -0.24 -0.06 1.43 1.48 -1.26 -4.30 118.94 113.75 1e14 s TRP 114 Ca 0.56 0.15 0.02 0.00 -1.06 0.00 0.00 56.10 55.77 1e14 s TRP 114 Cb -0.13 0.21 -0.03 0.00 -1.16 0.00 0.00 33.47 32.37 1e14 s TRP 114 CO 0.66 -0.58 -0.11 0.14 -4.06 0.00 0.00 176.95 173.00 1e14 s VAL 115 N -2.67 3.33 -0.27 -0.66 -7.23 -1.26 -5.02 120.40 106.62 1e14 s VAL 115 Ca -0.04 -0.63 -0.29 0.00 -1.81 0.00 0.00 61.98 59.21 1e14 s VAL 115 Cb -0.00 -2.33 -0.32 0.00 0.56 0.00 0.00 36.38 34.28 1e14 s VAL 115 CO -0.04 0.59 1.71 0.00 -0.31 0.00 0.00 175.10 177.05 1e14 n ALA 116 N 2.25 1.19 -1.89 1.32 0.00 -1.26 -4.81 120.51 117.31 1e14 n ALA 116 Ca -0.17 -2.75 -0.30 0.00 0.00 0.00 0.00 53.44 50.21 1e14 n ALA 116 Cb 0.52 -3.68 0.04 0.00 0.00 0.00 0.00 19.45 16.33 1e14 n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1e14 s ARG 117 N 6.83 3.03 0.23 0.00 0.52 -1.26 -4.95 118.95 123.35 1e14 s ARG 117 Ca 0.68 0.51 -0.31 0.00 -0.52 0.00 0.00 55.73 56.09 1e14 s ARG 117 Cb 0.12 -2.04 -0.13 0.00 0.52 0.00 0.00 34.95 33.42 1e14 s ARG 117 CO 0.29 -0.92 1.45 -2.13 0.02 0.00 0.00 175.30 174.01 1e14 n ARG 118 N -2.93 2.10 -1.55 3.54 0.63 -1.26 -4.09 116.66 113.10 1e14 n ARG 118 Ca 0.07 0.75 -0.28 0.00 -0.92 0.00 0.00 57.85 57.46 1e14 n ARG 118 Cb 0.56 -2.43 -0.05 0.00 0.45 0.00 0.00 32.46 30.99 1e14 n ARG 118 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1e14 n ASP 119 N 2.33 6.68 -4.11 6.15 2.03 -1.26 -2.46 116.55 125.91 1e14 n ASP 119 Ca 0.12 -3.16 -0.17 0.00 0.52 0.00 0.00 54.79 52.10 1e14 n ASP 119 Cb 0.31 -1.26 -0.12 0.00 -0.72 0.00 0.00 41.12 39.33 1e14 n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1e14 s LEU 120 N -2.06 2.21 0.58 -2.67 1.43 -1.26 -4.92 118.68 111.99 1e14 s LEU 120 Ca 0.59 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 1e14 s LEU 120 Cb 0.35 -0.41 -0.05 0.00 0.03 0.00 0.00 46.19 46.11 1e14 s LEU 120 CO -0.19 -0.07 1.02 -2.16 0.23 0.00 0.00 176.35 175.18 1e14 s PRO 121 N -1.36 3.62 0.51 1.29 0.04 -1.26 -1.58 135.00 136.26 1e14 s PRO 121 Ca -0.03 0.96 -0.21 0.00 0.04 0.00 0.00 61.00 61.76 1e14 s PRO 121 Cb -0.09 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 1e14 s PRO 121 CO 0.01 -0.55 1.18 -2.00 0.04 0.00 0.00 177.00 175.68 1e14 s GLU 122 N -4.44 3.47 0.11 4.56 2.12 -1.26 -4.84 118.70 118.42 1e14 s GLU 122 Ca 0.59 1.79 0.10 0.00 0.36 0.00 0.00 54.97 57.81 1e14 s GLU 122 Cb -0.12 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 1e14 s GLU 122 CO 0.40 -0.80 -0.27 -0.51 -0.54 0.00 0.00 175.26 173.55 1e14 s LEU 123 N -3.44 2.28 0.00 2.70 1.43 -1.26 -1.03 118.68 119.35 1e14 s LEU 123 Ca 0.69 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1e14 s LEU 123 Cb -0.29 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.70 1e14 s LEU 123 CO 0.34 0.20 0.00 -0.90 0.23 0.00 0.00 176.35 176.22 1e14 n ASP 124 N 1.16 -0.07 0.03 2.29 5.68 -0.25 -4.80 116.55 120.59 1e14 n ASP 124 Ca -0.18 -0.29 0.13 0.00 -0.50 0.00 0.00 54.79 53.96 1e14 n ASP 124 Cb 0.53 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.93 1e14 n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1e14 n GLY 125 N 4.42 -1.46 0.01 6.12 0.00 -1.26 -3.00 105.19 110.03 1e14 n GLY 125 Ca 0.00 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1e14 n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1e14 n HIS 126 N -1.71 0.12 -0.30 1.61 8.25 -1.26 -4.95 115.22 116.97 1e14 n HIS 126 Ca 0.06 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1e14 n HIS 126 Cb 0.37 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1e14 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1e14 n GLY 127 N 1.46 0.82 3.87 -1.41 0.00 -1.16 -5.07 105.19 103.70 1e14 n GLY 127 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1e14 n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1e14 s HIS 128 N -2.08 3.57 0.17 1.61 3.76 -1.26 -4.83 115.29 116.23 1e14 s HIS 128 Ca 0.00 0.79 -0.32 0.00 -0.15 0.00 0.00 55.06 55.37 1e14 s HIS 128 Cb 0.00 -2.16 -0.16 0.00 1.11 0.00 0.00 32.58 31.37 1e14 s HIS 128 CO 0.00 0.50 0.98 0.09 -0.85 0.00 0.00 174.74 175.46 1e14 n ASN 129 N 0.83 0.51 0.07 1.40 3.02 -1.26 -1.08 115.26 118.74 1e14 n ASN 129 Ca -0.07 1.15 -0.21 0.00 -0.03 0.00 0.00 54.58 55.41 1e14 n ASN 129 Cb 0.52 -1.12 -0.13 0.00 -0.61 0.00 0.00 39.78 38.44 1e14 n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1e14 h LYS 130 N 2.57 0.50 -5.13 3.52 3.64 -1.39 -3.43 116.57 116.84 1e14 h LYS 130 Ca -0.40 -0.68 -0.64 0.00 -1.27 0.00 0.00 60.65 57.65 1e14 h LYS 130 Cb 1.38 0.23 -0.21 0.00 -0.41 0.00 0.00 32.23 33.22 1e14 h LYS 130 CO 0.65 1.29 -0.63 0.42 -2.27 0.00 0.00 179.45 178.92 1e14 s ILE 131 N -2.89 4.27 0.05 2.00 1.01 -1.26 -0.23 121.20 124.16 1e14 s ILE 131 Ca -0.11 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1e14 s ILE 131 Cb 0.04 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 1e14 s ILE 131 CO 0.89 0.42 -0.07 -0.54 0.00 0.00 0.00 174.94 175.63 1e14 s LYS 132 N 0.94 0.58 0.47 2.79 1.02 -0.99 -4.52 119.74 120.03 1e14 s LYS 132 Ca 0.02 -0.89 -0.22 0.00 0.02 0.00 0.00 55.97 54.91 1e14 s LYS 132 Cb -0.14 -0.22 -0.07 0.00 -0.52 0.00 0.00 37.83 36.87 1e14 s LYS 132 CO 0.02 0.02 1.14 -1.25 -0.92 0.00 0.00 175.35 174.36 1e14 s PRO 133 N -2.14 3.71 0.31 -1.68 0.04 -1.26 -0.99 135.00 132.99 1e14 s PRO 133 Ca -0.05 1.68 0.04 0.00 0.04 0.00 0.00 61.00 62.71 1e14 s PRO 133 Cb -0.06 -2.31 0.51 0.00 0.04 0.00 0.00 34.50 32.68 1e14 s PRO 133 CO -0.01 -0.57 1.78 1.98 0.04 0.00 0.00 177.00 180.22 1e14 h MET 134 N 1.87 0.42 -1.07 4.56 4.05 -1.22 -1.47 114.93 122.07 1e14 h MET 134 Ca -0.49 -0.14 0.31 0.00 -0.28 0.00 0.00 59.70 59.10 1e14 h MET 134 Cb 1.25 -0.04 -0.13 0.00 -0.80 0.00 0.00 31.60 31.88 1e14 h MET 134 CO 0.60 0.61 0.65 1.57 0.23 0.00 0.00 176.91 180.57 1e14 h LYS 135 N 0.39 0.34 -0.36 0.39 2.10 -1.91 0.38 116.57 117.88 1e14 h LYS 135 Ca 0.06 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1e14 h LYS 135 Cb 0.58 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1e14 h LYS 135 CO 0.04 0.22 0.00 0.00 -2.00 0.00 0.00 179.45 177.71 1e14 n ALA 136 N -2.39 2.92 -3.41 0.07 0.00 -0.58 -4.91 120.51 112.21 1e14 n ALA 136 Ca 0.30 -1.92 -0.44 0.00 0.00 0.00 0.00 53.44 51.38 1e14 n ALA 136 Cb 0.99 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 1e14 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1e14 s ALA 137 N -2.28 3.63 0.05 0.00 0.00 0.13 -4.93 121.76 118.35 1e14 s ALA 137 Ca 0.40 -2.69 -0.36 0.00 0.00 0.00 0.00 51.96 49.31 1e14 s ALA 137 Cb 0.30 -3.13 -0.16 0.00 0.00 0.00 0.00 23.12 20.13 1e14 s ALA 137 CO 0.13 -2.02 1.48 0.00 0.00 0.00 0.00 175.76 175.35 1e14 n ALA 138 N 4.87 -0.20 0.00 0.00 0.00 -1.26 -2.20 120.51 121.72 1e14 n ALA 138 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1e14 n ALA 138 Cb 0.41 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1e14 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e14 n GLY 139 N 3.07 2.89 3.70 0.00 0.00 -1.26 -5.02 105.19 108.56 1e14 n GLY 139 Ca 0.19 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1e14 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1e14 s PHE 140 N 0.00 2.32 0.10 1.61 0.40 -0.93 -4.98 117.98 116.50 1e14 s PHE 140 Ca 0.00 0.10 -0.08 0.00 -0.60 0.00 0.00 56.93 56.35 1e14 s PHE 140 Cb 0.00 -4.13 -0.01 0.00 0.51 0.00 0.00 43.02 39.39 1e14 s PHE 140 CO 0.00 -4.59 0.20 -3.38 0.70 0.00 0.00 175.22 168.14 1e14 s HIS 141 N 2.45 0.24 -0.05 0.36 -3.43 -1.26 -4.89 115.29 108.70 1e14 s HIS 141 Ca 0.79 -0.66 -0.30 0.00 -0.80 0.00 0.00 55.06 54.09 1e14 s HIS 141 Cb -0.46 -0.08 -0.07 0.00 -1.43 0.00 0.00 32.58 30.55 1e14 s HIS 141 CO 0.35 -0.58 1.84 0.08 -2.00 0.00 0.00 174.74 174.44 1e14 s VAL 142 N -3.89 3.29 -0.04 -5.38 1.01 -1.26 -4.94 120.40 109.19 1e14 s VAL 142 Ca 0.08 0.35 0.21 0.00 0.00 0.00 0.00 61.98 62.62 1e14 s VAL 142 Cb 0.05 -3.25 -0.32 0.00 0.00 0.00 0.00 36.38 32.86 1e14 s VAL 142 CO -0.08 -0.06 0.43 -1.54 0.00 0.00 0.00 175.10 173.85 1e14 n SER 143 N 7.94 0.23 -3.55 3.32 3.41 -1.26 -5.03 113.62 118.68 1e14 n SER 143 Ca 0.20 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.69 1e14 n SER 143 Cb 0.43 1.88 -0.04 0.00 -0.26 0.00 0.00 64.21 66.22 1e14 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e14 s ALA 144 N -3.38 -1.28 0.00 7.33 0.00 -1.26 -5.16 121.76 118.01 1e14 s ALA 144 Ca -0.08 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1e14 s ALA 144 Cb 0.13 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1e14 s ALA 144 CO 0.86 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1e14 n GLY 145 N -0.04 -1.89 3.67 0.00 0.00 -1.26 -4.81 105.19 100.86 1e14 n GLY 145 Ca -0.17 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1e14 n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1e14 s LYS 146 N -2.39 4.14 -0.06 1.61 2.47 -1.26 -4.94 119.74 119.32 1e14 s LYS 146 Ca 0.00 2.60 -0.30 0.00 -1.56 0.00 0.00 55.97 56.72 1e14 s LYS 146 Cb 0.00 -4.00 -0.04 0.00 -1.46 0.00 0.00 37.83 32.33 1e14 s LYS 146 CO 0.00 -0.92 1.31 1.21 0.16 0.00 0.00 175.35 177.10 1e14 s ASN 147 N 3.94 6.94 0.34 1.43 3.84 -1.26 -4.90 114.94 125.27 1e14 s ASN 147 Ca 0.86 1.91 0.21 0.00 0.21 0.00 0.00 52.86 56.05 1e14 s ASN 147 Cb -0.44 -2.55 0.19 0.00 -0.55 0.00 0.00 41.25 37.90 1e14 s ASN 147 CO 0.40 -0.69 1.43 1.55 -2.79 0.00 0.00 177.10 177.00 1e14 h PRO 148 N 7.86 0.00 -6.32 0.43 0.13 -1.96 -3.46 132.00 128.68 1e14 h PRO 148 Ca -0.34 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.20 1e14 h PRO 148 Cb 1.16 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.31 1e14 h PRO 148 CO 0.91 0.13 1.10 -0.89 -0.23 0.00 0.00 178.00 179.02 1e14 n ILE 149 N -3.04 0.55 0.00 -3.56 5.41 -1.26 -1.49 119.36 115.97 1e14 n ILE 149 Ca 0.02 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1e14 n ILE 149 Cb 0.60 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 1e14 n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1e14 n GLY 150 N 4.34 2.94 3.81 7.39 0.00 0.12 -4.99 105.19 118.79 1e14 n GLY 150 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1e14 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1e14 s LEU 151 N 0.00 3.74 0.53 0.99 1.43 -0.56 -4.63 118.68 120.19 1e14 s LEU 151 Ca 0.00 1.79 -0.20 0.00 -1.03 0.00 0.00 54.13 54.69 1e14 s LEU 151 Cb 0.00 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 1e14 s LEU 151 CO 0.00 -0.75 1.12 -2.84 0.23 0.00 0.00 176.35 174.11 1e14 s PRO 152 N -3.57 3.45 -0.13 1.29 0.02 -1.26 -0.58 135.00 134.22 1e14 s PRO 152 Ca 0.64 1.59 0.02 0.00 0.02 0.00 0.00 61.00 63.27 1e14 s PRO 152 Cb -0.14 -2.05 -0.00 0.00 0.02 0.00 0.00 34.50 32.33 1e14 s PRO 152 CO 0.24 -0.77 -0.18 0.08 -0.33 0.00 0.00 177.00 176.04 1e14 s VAL 153 N -1.78 2.47 -0.10 3.83 1.01 0.08 -1.44 120.40 124.47 1e14 s VAL 153 Ca 0.71 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1e14 s VAL 153 Cb -0.23 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1e14 s VAL 153 CO 0.27 0.53 -0.18 -0.60 0.00 0.00 0.00 175.10 175.12 1e14 s ARG 154 N 0.62 3.09 0.59 2.72 3.52 -0.51 -0.15 118.95 128.83 1e14 s ARG 154 Ca -0.10 -0.78 0.02 0.00 -0.13 0.00 0.00 55.73 54.75 1e14 s ARG 154 Cb -0.16 -2.44 0.11 0.00 -1.56 0.00 0.00 34.95 30.90 1e14 s ARG 154 CO 0.03 0.26 0.81 0.41 -0.81 0.00 0.00 175.30 176.00 1e14 n GLY 155 N 3.34 1.00 0.00 8.12 0.00 -0.73 -0.19 105.19 116.73 1e14 n GLY 155 Ca -0.18 -2.07 0.08 0.00 0.00 0.00 0.00 46.02 43.84 1e14 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e14 n ASP 157 N -1.31 0.44 -0.22 0.00 5.75 -1.24 -3.52 116.55 116.44 1e14 n ASP 157 Ca 0.07 -0.42 -0.02 0.00 -0.01 0.00 0.00 54.79 54.41 1e14 n ASP 157 Cb 0.13 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.13 1e14 n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1e14 n LEU 158 N -1.07 -0.56 -4.60 -2.12 4.77 -0.37 -5.00 117.00 108.05 1e14 n LEU 158 Ca 0.12 0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.84 1e14 n LEU 158 Cb 0.29 -0.77 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 1e14 n LEU 158 CO 0.25 -0.08 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.22 1e14 s GLU 159 N -2.99 2.27 0.17 3.23 0.41 -1.26 -4.94 118.70 115.59 1e14 s GLU 159 Ca 0.00 -0.94 -0.30 0.00 -0.41 0.00 0.00 54.97 53.32 1e14 s GLU 159 Cb 0.00 -2.38 -0.07 0.00 -1.78 0.00 0.00 34.13 29.90 1e14 s GLU 159 CO 0.00 0.53 1.06 0.42 -0.49 0.00 0.00 175.26 176.78 1e14 s ILE 160 N -1.20 4.01 -0.34 -1.63 -1.09 -1.26 -1.77 121.20 117.91 1e14 s ILE 160 Ca 0.22 1.74 0.08 0.00 -2.23 0.00 0.00 60.65 60.46 1e14 s ILE 160 Cb -0.11 -4.11 -0.08 0.00 -1.58 0.00 0.00 42.46 36.57 1e14 s ILE 160 CO 0.14 0.30 0.31 0.00 -1.23 0.00 0.00 174.94 174.47 1e14 n ALA 161 N 2.36 2.95 0.00 9.38 0.00 0.79 -4.94 120.51 131.05 1e14 n ALA 161 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1e14 n ALA 161 Cb 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1e14 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e14 n GLY 162 N 1.23 -1.46 3.04 0.00 0.00 -1.21 -4.42 105.19 102.36 1e14 n GLY 162 Ca 0.01 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 1e14 n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1e14 s LYS 163 N -1.22 0.97 -0.16 1.61 -2.85 -0.52 -0.74 119.74 116.83 1e14 s LYS 163 Ca 0.00 -0.37 -0.29 0.00 -1.00 0.00 0.00 55.97 54.30 1e14 s LYS 163 Cb 0.00 -0.92 -0.01 0.00 -2.06 0.00 0.00 37.83 34.84 1e14 s LYS 163 CO 0.00 0.19 1.18 0.08 0.10 0.00 0.00 175.35 176.90 1e14 s VAL 164 N -0.06 4.42 -0.29 1.79 1.01 0.26 -0.18 120.40 127.34 1e14 s VAL 164 Ca 0.01 1.71 0.14 0.00 0.00 0.00 0.00 61.98 63.84 1e14 s VAL 164 Cb -0.06 -4.11 -0.19 0.00 0.00 0.00 0.00 36.38 32.02 1e14 s VAL 164 CO 0.00 -0.12 0.43 1.33 0.00 0.00 0.00 175.10 176.74 1e14 n VAL 165 N 5.19 0.00 -3.83 2.92 0.24 -0.41 0.10 118.33 122.54 1e14 n VAL 165 Ca 0.13 -0.26 -0.04 0.00 -2.04 0.00 0.00 64.34 62.12 1e14 n VAL 165 Cb 0.46 0.53 0.02 0.00 -1.47 0.00 0.00 33.84 33.38 1e14 n VAL 165 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1e14 n ASP 166 N -1.71 -1.75 -3.98 -1.34 2.03 -1.11 -4.87 116.55 103.82 1e14 n ASP 166 Ca -0.00 -2.01 -0.27 0.00 0.52 0.00 0.00 54.79 53.02 1e14 n ASP 166 Cb 0.30 2.86 -0.17 0.00 -0.72 0.00 0.00 41.12 43.40 1e14 n ASP 166 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1e14 s ILE 167 N -2.12 1.25 -0.10 5.18 1.01 -1.26 -1.76 121.20 123.41 1e14 s ILE 167 Ca 0.19 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.22 1e14 s ILE 167 Cb -0.03 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 1e14 s ILE 167 CO 0.07 0.40 0.42 0.26 0.00 0.00 0.00 174.94 176.08 1e14 s TRP 168 N 1.33 3.56 0.04 3.97 0.52 0.37 -0.62 118.94 128.11 1e14 s TRP 168 Ca -0.01 0.85 0.07 0.00 0.02 0.00 0.00 56.10 57.03 1e14 s TRP 168 Cb -0.14 -2.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.72 1e14 s TRP 168 CO -0.05 0.30 -0.20 0.14 0.02 0.00 0.00 176.95 177.16 1e14 s VAL 169 N 0.16 1.60 -0.32 4.03 -7.23 -0.16 -1.00 120.40 117.47 1e14 s VAL 169 Ca 0.23 -1.15 -0.26 0.00 -1.81 0.00 0.00 61.98 58.99 1e14 s VAL 169 Cb -0.15 -1.39 0.01 0.00 0.56 0.00 0.00 36.38 35.41 1e14 s VAL 169 CO 0.10 0.20 0.95 -0.62 -0.31 0.00 0.00 175.10 175.41 1e14 s ASP 170 N -1.12 6.79 -0.02 4.85 -1.08 0.50 -2.35 116.67 124.24 1e14 s ASP 170 Ca 0.07 0.82 -0.24 0.00 -0.52 0.00 0.00 52.55 52.68 1e14 s ASP 170 Cb -0.09 -2.48 -0.18 0.00 -1.46 0.00 0.00 42.92 38.72 1e14 s ASP 170 CO 0.02 -0.78 1.11 0.40 0.52 0.00 0.00 175.17 176.44 1e14 h ILE 171 N 5.70 0.99 -0.40 4.11 5.03 -0.92 -0.34 117.51 131.68 1e14 h ILE 171 Ca -0.22 -0.98 0.04 0.00 -0.12 0.00 0.00 64.86 63.58 1e14 h ILE 171 Cb 1.08 1.56 -0.02 0.00 -3.03 0.00 0.00 36.82 36.41 1e14 h ILE 171 CO 0.97 0.22 0.27 1.55 -0.68 0.00 0.00 178.15 180.48 1e14 h PRO 172 N -0.70 0.36 -0.01 2.37 0.13 -1.92 -2.42 132.00 129.81 1e14 h PRO 172 Ca -0.02 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1e14 h PRO 172 Cb 0.51 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1e14 h PRO 172 CO 0.03 0.24 -0.39 -1.91 -0.23 0.00 0.00 178.00 175.75 1e14 n GLU 173 N -4.48 2.01 -3.92 0.86 4.07 -1.25 -5.03 120.64 112.89 1e14 n GLU 173 Ca 0.05 -0.54 -0.41 0.00 -0.06 0.00 0.00 57.16 56.20 1e14 n GLU 173 Cb 0.20 -1.19 0.03 0.00 -0.06 0.00 0.00 31.44 30.42 1e14 n GLU 173 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1e14 n GLN 174 N -0.48 -0.62 -4.09 5.31 6.02 -0.16 -4.98 117.38 118.39 1e14 n GLN 174 Ca 0.05 0.24 -0.11 0.00 -0.01 0.00 0.00 57.00 57.16 1e14 n GLN 174 Cb 0.27 -3.09 -0.11 0.00 1.02 0.00 0.00 30.24 28.34 1e14 n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1e14 s MET 175 N -6.82 0.61 -0.03 -1.09 0.23 -1.10 -4.95 119.30 106.15 1e14 s MET 175 Ca 0.47 -0.96 -0.30 0.00 -1.03 0.00 0.00 55.69 53.87 1e14 s MET 175 Cb -0.23 -0.20 -0.04 0.00 -1.53 0.00 0.00 34.83 32.83 1e14 s MET 175 CO 0.93 0.01 1.30 0.00 -2.03 0.00 0.00 175.02 175.23 1e14 s ALA 176 N -2.28 3.54 -0.13 3.16 0.00 -1.26 -0.37 121.76 124.41 1e14 s ALA 176 Ca -0.02 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 1e14 s ALA 176 Cb -0.04 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 1e14 s ALA 176 CO -0.02 -0.84 -0.13 0.54 0.00 0.00 0.00 175.76 175.31 1e14 n ARG 177 N 5.28 0.32 -4.06 0.00 1.74 -0.17 -4.80 116.66 114.98 1e14 n ARG 177 Ca 0.12 0.09 -0.10 0.00 -0.77 0.00 0.00 57.85 57.19 1e14 n ARG 177 Cb 0.45 -1.20 -0.11 0.00 -1.02 0.00 0.00 32.46 30.58 1e14 n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1e14 s PHE 178 N -2.26 0.55 -0.15 -1.55 0.08 -0.93 -0.56 117.98 113.15 1e14 s PHE 178 Ca -0.18 -0.66 -0.08 0.00 0.12 0.00 0.00 56.93 56.13 1e14 s PHE 178 Cb 0.05 -0.35 -0.04 0.00 -0.57 0.00 0.00 43.02 42.11 1e14 s PHE 178 CO 0.29 -0.17 0.12 -0.51 -0.10 0.00 0.00 175.22 174.85 1e14 s LEU 179 N -1.96 4.23 -0.34 -0.37 1.43 -0.04 0.14 118.68 121.76 1e14 s LEU 179 Ca -0.06 0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 1e14 s LEU 179 Cb -0.05 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.11 1e14 s LEU 179 CO -0.02 0.30 0.60 -0.70 0.23 0.00 0.00 176.35 176.75 1e14 s GLU 180 N -0.38 3.72 -0.00 1.70 2.12 -0.72 -0.90 118.70 124.23 1e14 s GLU 180 Ca 0.11 0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.51 1e14 s GLU 180 Cb -0.12 -3.79 -0.03 0.00 0.26 0.00 0.00 34.13 30.45 1e14 s GLU 180 CO 0.01 -0.67 -0.04 0.08 -0.54 0.00 0.00 175.26 174.11 1e14 s VAL 181 N 2.59 3.86 -0.12 3.70 1.01 0.16 -1.29 120.40 130.31 1e14 s VAL 181 Ca 0.23 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1e14 s VAL 181 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1e14 s VAL 181 CO 0.14 0.40 -0.04 -0.70 0.00 0.00 0.00 175.10 174.89 1e14 s GLU 182 N -1.45 3.28 0.48 2.72 2.12 0.75 -0.20 118.70 126.41 1e14 s GLU 182 Ca 0.18 -0.51 0.09 0.00 0.36 0.00 0.00 54.97 55.09 1e14 s GLU 182 Cb -0.11 -2.80 0.04 0.00 0.26 0.00 0.00 34.13 31.51 1e14 s GLU 182 CO 0.08 0.45 0.64 -0.51 -0.54 0.00 0.00 175.26 175.38 1e14 s LEU 183 N -0.21 3.42 0.48 2.70 1.43 0.34 -1.44 118.68 125.40 1e14 s LEU 183 Ca 0.04 -0.61 0.28 0.00 -1.03 0.00 0.00 54.13 52.80 1e14 s LEU 183 Cb -0.13 -2.22 1.35 0.00 0.03 0.00 0.00 46.19 45.22 1e14 s LEU 183 CO 0.02 -0.98 1.82 0.50 0.23 0.00 0.00 176.35 177.95 1e14 h LYS 184 N 0.49 0.16 -0.00 1.70 1.63 -1.88 0.47 116.57 119.13 1e14 h LYS 184 Ca -0.36 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1e14 h LYS 184 Cb 1.28 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1e14 h LYS 184 CO 0.44 0.11 -0.26 -0.40 -3.45 0.00 0.00 179.45 175.89 1e14 n ASP 185 N -4.38 0.32 0.00 4.20 5.75 -1.26 -4.95 116.55 116.24 1e14 n ASP 185 Ca 0.23 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1e14 n ASP 185 Cb 1.01 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 1e14 n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1e14 n GLY 186 N 1.47 0.22 3.93 6.12 0.00 0.16 -5.05 105.19 112.04 1e14 n GLY 186 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1e14 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e14 s SER 187 N -2.44 5.14 0.18 1.61 1.04 -1.26 -4.80 113.70 113.16 1e14 s SER 187 Ca 0.00 0.55 0.10 0.00 0.48 0.00 0.00 55.95 57.08 1e14 s SER 187 Cb 0.00 -1.34 -0.04 0.00 0.10 0.00 0.00 66.02 64.73 1e14 s SER 187 CO 0.00 -1.37 -0.15 -0.89 0.98 0.00 0.00 173.24 171.81 1e14 s THR 188 N -3.13 2.91 0.03 2.02 2.01 -1.26 -0.51 115.64 117.72 1e14 s THR 188 Ca 0.58 -1.74 0.02 0.00 0.31 0.00 0.00 61.69 60.86 1e14 s THR 188 Cb -0.11 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 1e14 s THR 188 CO 0.45 -0.09 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.08 1e14 s ARG 189 N -2.70 0.54 -0.09 4.92 1.81 0.73 -4.94 118.95 119.22 1e14 s ARG 189 Ca 0.23 -0.64 -0.15 0.00 -1.72 0.00 0.00 55.73 53.44 1e14 s ARG 189 Cb -0.09 -0.38 -0.05 0.00 -0.45 0.00 0.00 34.95 33.99 1e14 s ARG 189 CO 0.13 0.08 0.39 -0.51 -0.68 0.00 0.00 175.30 174.71 1e14 s LEU 190 N -1.25 4.34 -0.07 2.53 1.43 -1.26 0.41 118.68 124.81 1e14 s LEU 190 Ca -0.06 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1e14 s LEU 190 Cb -0.08 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.59 1e14 s LEU 190 CO 0.00 0.16 -0.15 -0.76 0.23 0.00 0.00 176.35 175.83 1e14 s LEU 191 N -0.08 1.78 0.30 1.79 1.43 -0.08 -4.96 118.68 118.87 1e14 s LEU 191 Ca 0.22 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 1e14 s LEU 191 Cb -0.15 -0.95 -0.12 0.00 0.03 0.00 0.00 46.19 44.99 1e14 s LEU 191 CO 0.09 0.08 1.46 -2.65 0.23 0.00 0.00 176.35 175.56 1e14 n PRO 192 N 3.61 2.38 -0.17 1.29 -0.01 -1.26 -0.87 135.00 139.98 1e14 n PRO 192 Ca -0.21 0.84 -0.06 0.00 -0.01 0.00 0.00 63.50 64.06 1e14 n PRO 192 Cb 0.52 -2.54 0.03 0.00 -0.01 0.00 0.00 33.50 31.50 1e14 n PRO 192 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 175.50 176.01 1e14 h MET 193 N 3.83 0.63 0.00 -0.52 2.86 -1.14 -2.52 114.93 118.06 1e14 h MET 193 Ca -0.47 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1e14 h MET 193 Cb 1.25 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1e14 h MET 193 CO 0.72 0.42 0.00 1.04 1.06 0.00 0.00 176.91 180.15 1e14 n GLN 194 N -4.76 0.01 -0.25 1.72 3.00 -1.26 -1.88 117.38 113.96 1e14 n GLN 194 Ca 0.03 0.39 0.06 0.00 -0.01 0.00 0.00 57.00 57.47 1e14 n GLN 194 Cb 0.04 -1.50 0.18 0.00 0.00 0.00 0.00 30.24 28.96 1e14 n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1e14 n MET 195 N -1.45 2.90 -4.46 -1.09 2.81 -0.95 -5.00 117.12 109.87 1e14 n MET 195 Ca 0.01 -2.25 -0.24 0.00 -1.81 0.00 0.00 57.70 53.41 1e14 n MET 195 Cb 0.05 -1.42 -0.10 0.00 -0.71 0.00 0.00 33.22 31.04 1e14 n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1e14 s VAL 196 N -1.48 2.44 -0.28 2.03 -7.23 -0.79 -4.37 120.40 110.72 1e14 s VAL 196 Ca 0.28 -2.38 0.03 0.00 -1.81 0.00 0.00 61.98 58.10 1e14 s VAL 196 Cb 0.18 -2.28 0.07 0.00 0.56 0.00 0.00 36.38 34.91 1e14 s VAL 196 CO 0.14 -0.40 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.74 1e14 s LYS 197 N -3.47 1.84 -0.40 4.82 2.20 -0.42 -4.97 119.74 119.33 1e14 s LYS 197 Ca 0.29 -1.42 -0.28 0.00 -0.36 0.00 0.00 55.97 54.20 1e14 s LYS 197 Cb -0.05 -2.89 0.02 0.00 -1.51 0.00 0.00 37.83 33.41 1e14 s LYS 197 CO 0.14 -0.70 1.07 0.08 -0.36 0.00 0.00 175.35 175.59 1e14 s VAL 198 N 1.12 4.39 0.41 4.02 1.01 -1.26 -0.76 120.40 129.32 1e14 s VAL 198 Ca -0.02 1.39 0.07 0.00 0.00 0.00 0.00 61.98 63.42 1e14 s VAL 198 Cb -0.19 -4.49 -0.05 0.00 0.00 0.00 0.00 36.38 31.65 1e14 s VAL 198 CO -0.07 -0.74 0.22 -1.10 0.00 0.00 0.00 175.10 173.41 1e14 s GLN 199 N 3.98 2.30 0.19 2.72 -0.21 0.17 -5.01 119.66 123.80 1e14 s GLN 199 Ca 0.45 -1.76 -0.11 0.00 0.02 0.00 0.00 55.36 53.97 1e14 s GLN 199 Cb -0.10 -2.08 0.11 0.00 1.00 0.00 0.00 33.01 31.94 1e14 s GLN 199 CO 0.23 -0.11 1.76 0.66 -2.12 0.00 0.00 175.29 175.72 1e14 h SER 200 N 1.36 0.89 0.00 5.90 4.64 -2.01 -3.23 113.55 121.10 1e14 h SER 200 Ca -0.43 -0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 60.70 1e14 h SER 200 Cb 1.26 -0.23 -0.10 0.00 -0.31 0.00 0.00 62.40 63.01 1e14 h SER 200 CO 0.67 0.79 -0.64 -0.46 -0.87 0.00 0.00 176.83 176.32 1e14 n ASN 201 N -4.44 1.52 0.00 4.97 6.94 -1.26 -5.06 115.26 117.93 1e14 n ASN 201 Ca 0.05 -3.39 0.00 0.00 -0.02 0.00 0.00 54.58 51.21 1e14 n ASN 201 Cb 0.14 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.10 1e14 n ASN 201 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 1e14 n ARG 202 N -0.69 0.00 -4.09 -3.83 1.85 -1.22 -4.66 116.66 104.02 1e14 n ARG 202 Ca 0.15 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.68 1e14 n ARG 202 Cb 0.81 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 32.06 1e14 n ARG 202 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1e14 s VAL 203 N -2.00 2.04 -0.17 8.89 1.01 -0.52 -0.65 120.40 129.00 1e14 s VAL 203 Ca 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 1e14 s VAL 203 Cb 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1e14 s VAL 203 CO 0.00 0.34 0.06 -2.28 0.00 0.00 0.00 175.10 173.22 1e14 s HIS 204 N 1.25 3.25 -0.44 5.22 2.46 0.06 -1.42 115.29 125.67 1e14 s HIS 204 Ca 0.00 0.09 -0.05 0.00 0.47 0.00 0.00 55.06 55.57 1e14 s HIS 204 Cb -0.15 -2.04 0.12 0.00 -0.13 0.00 0.00 32.58 30.37 1e14 s HIS 204 CO -0.10 0.20 0.27 0.08 -2.47 0.00 0.00 174.74 172.71 1e14 s VAL 205 N 0.20 3.60 0.36 0.89 1.01 0.74 -1.31 120.40 125.89 1e14 s VAL 205 Ca 0.04 -2.04 0.08 0.00 0.00 0.00 0.00 61.98 60.06 1e14 s VAL 205 Cb -0.12 -3.43 0.13 0.00 0.00 0.00 0.00 36.38 32.96 1e14 s VAL 205 CO 0.01 -0.73 1.86 -1.13 0.00 0.00 0.00 175.10 175.11 1e14 h ASN 206 N 8.10 0.28 0.13 3.32 -0.00 -1.86 -2.67 115.58 122.90 1e14 h ASN 206 Ca -0.14 -0.07 -0.12 0.00 -0.00 0.00 0.00 56.30 55.97 1e14 h ASN 206 Cb 1.05 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 39.28 1e14 h ASN 206 CO 0.75 0.47 -0.43 0.00 -0.00 0.00 0.00 177.43 178.22 1e14 h ALA 207 N 1.56 0.98 -3.47 1.57 0.00 -1.88 -3.39 119.26 114.63 1e14 h ALA 207 Ca 0.05 -0.44 -0.66 0.00 0.00 0.00 0.00 54.91 53.86 1e14 h ALA 207 Cb 0.45 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 17.97 1e14 h ALA 207 CO 0.03 0.63 -0.78 -0.51 0.00 0.00 0.00 179.25 178.61 1e14 s LEU 208 N -8.33 2.73 0.30 0.00 1.43 -1.20 -3.43 118.68 110.18 1e14 s LEU 208 Ca -0.06 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 1e14 s LEU 208 Cb 0.13 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 1e14 s LEU 208 CO 0.80 0.15 0.52 -0.94 0.23 0.00 0.00 176.35 177.11 1e14 s SER 209 N -2.39 6.36 0.32 2.29 1.04 -1.26 0.88 113.70 120.94 1e14 s SER 209 Ca 0.20 0.53 0.07 0.00 0.48 0.00 0.00 55.95 57.23 1e14 s SER 209 Cb -0.10 -2.06 0.78 0.00 0.10 0.00 0.00 66.02 64.73 1e14 s SER 209 CO 0.11 -0.22 1.79 0.77 0.98 0.00 0.00 173.24 176.68 1e14 h SER 210 N 1.29 0.75 0.00 7.02 4.64 -1.86 0.79 113.55 126.17 1e14 h SER 210 Ca -0.49 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1e14 h SER 210 Cb 1.20 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1e14 h SER 210 CO 0.64 0.28 0.00 -0.90 -0.87 0.00 0.00 176.83 175.98 1e14 n ASP 211 N -4.71 0.00 -0.32 4.97 5.75 -1.26 -3.35 116.55 117.63 1e14 n ASP 211 Ca 0.22 -0.94 0.09 0.00 -0.01 0.00 0.00 54.79 54.15 1e14 n ASP 211 Cb 0.57 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.64 1e14 n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1e14 n LEU 212 N -0.92 1.53 -0.02 -2.12 4.77 0.27 -4.45 117.00 116.06 1e14 n LEU 212 Ca 0.16 -0.71 0.03 0.00 -0.03 0.00 0.00 56.01 55.46 1e14 n LEU 212 Cb 0.08 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.55 1e14 n LEU 212 CO 0.12 0.30 1.13 -0.26 -1.33 0.00 0.00 177.39 177.36 1e14 h PHE 213 N 1.55 0.56 0.00 -1.77 -1.00 -1.62 -2.20 116.94 112.46 1e14 h PHE 213 Ca 0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1e14 h PHE 213 Cb 0.56 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1e14 h PHE 213 CO 0.00 0.38 -0.28 0.00 -1.61 0.00 0.00 178.31 176.80 1e14 h ALA 214 N 1.69 1.10 0.00 2.45 0.00 -1.83 -2.90 119.26 119.76 1e14 h ALA 214 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1e14 h ALA 214 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1e14 h ALA 214 CO -0.03 0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.99 1e14 n GLY 215 N -0.04 -1.70 3.68 0.00 0.00 -0.83 -4.85 105.19 101.45 1e14 n GLY 215 Ca -0.01 -0.02 -0.47 0.00 0.00 0.00 0.00 46.02 45.52 1e14 n GLY 215 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1e14 n ILE 216 N -2.28 0.44 -1.65 -0.61 5.41 -1.10 -4.85 119.36 114.73 1e14 n ILE 216 Ca 0.05 -0.08 -0.59 0.00 1.00 0.00 0.00 62.75 63.13 1e14 n ILE 216 Cb 0.42 -1.81 -0.08 0.00 -0.71 0.00 0.00 39.64 37.46 1e14 n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1e14 n PRO 217 N 5.87 0.65 -2.14 0.38 -0.02 -1.26 -4.96 135.00 133.53 1e14 n PRO 217 Ca 0.21 0.24 -0.27 0.00 -2.02 0.00 0.00 63.50 61.66 1e14 n PRO 217 Cb 0.30 -1.83 0.11 0.00 -0.02 0.00 0.00 33.50 32.06 1e14 n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1e14 s THR 218 N 1.97 2.12 0.21 3.45 -4.23 -1.26 -4.75 115.64 113.15 1e14 s THR 218 Ca 0.95 -0.20 0.11 0.00 -1.18 0.00 0.00 61.69 61.37 1e14 s THR 218 Cb -1.18 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 1e14 s THR 218 CO 0.63 0.00 -0.21 0.27 -0.54 0.00 0.00 174.62 174.77 1e14 s ILE 219 N -3.48 2.50 -0.02 2.99 -4.36 -1.26 -5.03 121.20 112.54 1e14 s ILE 219 Ca 0.66 -2.07 -0.23 0.00 -0.26 0.00 0.00 60.65 58.75 1e14 s ILE 219 Cb -0.08 -2.23 -0.21 0.00 1.25 0.00 0.00 42.46 41.19 1e14 s ILE 219 CO 0.48 -0.18 1.13 0.07 0.24 0.00 0.00 174.94 176.68 1e14 h LYS 220 N 2.95 0.24 -6.38 0.37 2.10 -2.00 -3.46 116.57 110.39 1e14 h LYS 220 Ca -0.45 -0.21 -0.65 0.00 -2.00 0.00 0.00 60.65 57.34 1e14 h LYS 220 Cb 1.22 0.05 -0.12 0.00 -0.90 0.00 0.00 32.23 32.47 1e14 h LYS 220 CO 0.51 0.88 -0.67 0.45 -2.00 0.00 0.00 179.45 178.61 1e14 s SER 221 N -6.29 4.91 0.00 7.07 0.15 -1.26 -5.04 113.70 113.25 1e14 s SER 221 Ca -0.15 -0.22 0.28 0.00 0.70 0.00 0.00 55.95 56.55 1e14 s SER 221 Cb 0.02 -1.13 0.95 0.00 -1.71 0.00 0.00 66.02 64.15 1e14 s SER 221 CO 0.75 0.17 1.69 -0.81 1.20 0.00 0.00 173.24 176.24 1e14 n PRO 222 N 0.54 1.65 -0.03 5.44 -0.04 -1.26 -3.48 135.00 137.82 1e14 n PRO 222 Ca -0.11 -1.00 0.02 0.00 -0.04 0.00 0.00 63.50 62.37 1e14 n PRO 222 Cb 0.52 -1.48 0.04 0.00 -0.04 0.00 0.00 33.50 32.54 1e14 n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1e14 n THR 223 N 0.20 0.41 -3.64 0.52 -2.24 -1.26 -4.84 114.28 103.43 1e14 n THR 223 Ca 0.18 -0.70 -0.10 0.00 -2.27 0.00 0.00 64.05 61.15 1e14 n THR 223 Cb 0.37 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.42 1e14 n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1e14 s GLU 224 N -0.63 1.20 -0.01 -0.78 -1.05 -1.23 -4.57 118.70 111.64 1e14 s GLU 224 Ca 0.07 -0.73 0.02 0.00 -0.15 0.00 0.00 54.97 54.18 1e14 s GLU 224 Cb 0.04 0.50 -0.00 0.00 -0.44 0.00 0.00 34.13 34.23 1e14 s GLU 224 CO 0.06 -0.49 -0.06 0.08 0.95 0.00 0.00 175.26 175.80 1e14 s VAL 225 N -3.82 0.45 0.43 1.83 1.01 -1.26 -4.49 120.40 114.55 1e14 s VAL 225 Ca 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1e14 s VAL 225 Cb 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1e14 s VAL 225 CO -0.09 0.13 0.65 0.42 0.00 0.00 0.00 175.10 176.21 1e14 s THR 226 N -0.08 4.30 0.37 3.92 -4.23 -1.26 -4.12 115.64 114.53 1e14 s THR 226 Ca 0.02 -0.44 0.05 0.00 -1.18 0.00 0.00 61.69 60.14 1e14 s THR 226 Cb -0.03 -3.59 0.22 0.00 1.34 0.00 0.00 72.50 70.44 1e14 s THR 226 CO -0.00 -0.42 1.97 -0.07 -0.54 0.00 0.00 174.62 175.56 1e14 h LEU 227 N 0.46 0.54 -1.57 4.79 3.38 -1.28 0.41 115.31 122.04 1e14 h LEU 227 Ca -0.47 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 1e14 h LEU 227 Cb 1.24 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1e14 h LEU 227 CO 0.58 0.48 -0.17 0.25 0.09 0.00 0.00 178.44 179.67 1e14 h LEU 228 N 0.60 0.06 0.04 1.67 6.46 -1.63 -2.24 115.31 120.27 1e14 h LEU 228 Ca 0.15 -0.01 -0.26 0.00 -0.12 0.00 0.00 57.88 57.64 1e14 h LEU 228 Cb 0.10 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 1e14 h LEU 228 CO -0.02 0.24 -1.31 -0.33 -0.62 0.00 0.00 178.44 176.40 1e14 h GLU 229 N 0.06 0.09 0.21 1.25 5.08 -1.27 -2.51 114.58 117.49 1e14 h GLU 229 Ca 0.01 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1e14 h GLU 229 Cb 0.34 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1e14 h GLU 229 CO 0.02 0.94 -0.10 0.93 -1.00 0.00 0.00 179.01 179.80 1e14 h GLU 230 N 0.02 -0.27 -0.82 2.33 5.08 -1.22 0.27 114.58 119.98 1e14 h GLU 230 Ca -0.14 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1e14 h GLU 230 Cb 1.90 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 31.15 1e14 h GLU 230 CO 0.13 -0.12 0.49 -0.44 -1.00 0.00 0.00 179.01 178.07 1e14 h ASP 231 N -0.36 0.74 -0.19 1.42 5.19 -1.49 0.62 116.42 122.34 1e14 h ASP 231 Ca -0.03 0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1e14 h ASP 231 Cb 0.28 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1e14 h ASP 231 CO 0.05 0.45 -0.37 0.11 -3.12 0.00 0.00 179.24 176.37 1e14 h LYS 232 N 0.86 0.72 0.54 3.56 1.57 -0.96 -0.67 116.57 122.19 1e14 h LYS 232 Ca 0.37 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1e14 h LYS 232 Cb 0.24 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.56 1e14 h LYS 232 CO -0.20 0.97 -0.26 0.82 -0.57 0.00 0.00 179.45 180.21 1e14 h ILE 233 N 0.59 0.42 -0.78 1.86 2.04 0.94 -0.93 117.51 121.65 1e14 h ILE 233 Ca 0.06 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1e14 h ILE 233 Cb 0.90 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 1e14 h ILE 233 CO 0.08 0.04 0.33 0.00 0.00 0.00 0.00 178.15 178.59 1e14 h GLY 235 N 1.15 -0.59 0.95 0.00 0.00 -1.12 -0.93 103.07 102.54 1e14 h GLY 235 Ca 0.26 0.42 -0.01 0.00 0.00 0.00 0.00 47.33 48.01 1e14 h GLY 235 CO -0.02 -0.24 0.16 -1.82 0.00 0.00 0.00 176.54 174.62 1e14 h TYR 236 N -0.50 0.42 -0.16 5.60 5.03 -0.79 -1.22 116.97 125.36 1e14 h TYR 236 Ca 0.06 -0.01 -0.16 0.00 2.58 0.00 0.00 58.73 61.20 1e14 h TYR 236 Cb 0.59 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.74 1e14 h TYR 236 CO -0.37 0.35 -0.51 -0.39 -1.32 0.00 0.00 178.16 175.91 1e14 h VAL 237 N 0.36 1.33 -0.93 1.81 -1.51 -1.16 -2.71 116.25 113.44 1e14 h VAL 237 Ca 0.11 -1.77 0.10 0.00 -1.23 0.00 0.00 66.70 63.91 1e14 h VAL 237 Cb 0.08 2.01 -0.08 0.00 -2.13 0.00 0.00 31.29 31.16 1e14 h VAL 237 CO -0.02 0.55 0.57 0.00 -1.23 0.00 0.00 177.57 177.44 1e14 h ALA 238 N 0.54 1.36 -0.02 5.19 0.00 -1.12 -2.19 119.26 123.03 1e14 h ALA 238 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1e14 h ALA 238 Cb 1.14 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1e14 h ALA 238 CO 0.11 0.20 -0.06 0.78 0.00 0.00 0.00 179.25 180.28 1e14 h GLY 239 N 0.93 0.03 0.64 0.00 0.00 -0.90 -2.39 103.07 101.38 1e14 h GLY 239 Ca 0.45 -0.01 0.14 0.00 0.00 0.00 0.00 47.33 47.91 1e14 h GLY 239 CO -0.25 0.01 0.54 -1.33 0.00 0.00 0.00 176.54 175.51 1e14 h GLY 240 N 0.23 0.96 -0.29 4.60 0.00 -1.22 -0.63 103.07 106.72 1e14 h GLY 240 Ca 0.01 -0.25 0.22 0.00 0.00 0.00 0.00 47.33 47.31 1e14 h GLY 240 CO 0.01 0.09 0.28 1.41 0.00 0.00 0.00 176.54 178.33 1e14 h LEU 241 N 0.57 0.12 0.09 3.11 3.38 -1.45 0.18 115.31 121.32 1e14 h LEU 241 Ca 0.40 0.17 -0.27 0.00 0.09 0.00 0.00 57.88 58.28 1e14 h LEU 241 Cb 0.74 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1e14 h LEU 241 CO -0.16 -0.08 -1.39 -0.03 0.09 0.00 0.00 178.44 176.87 1e14 h MET 242 N 0.29 0.19 0.00 1.13 4.05 -1.63 -3.36 114.93 115.60 1e14 h MET 242 Ca 0.53 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1e14 h MET 242 Cb 1.02 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1e14 h MET 242 CO -0.58 1.16 -0.34 0.66 0.23 0.00 0.00 176.91 178.03 1e14 n TYR 243 N -3.99 0.06 0.95 1.39 4.01 -0.29 -3.29 117.16 116.00 1e14 n TYR 243 Ca -0.26 0.02 0.11 0.00 -0.16 0.00 0.00 57.90 57.61 1e14 n TYR 243 Cb 0.86 -0.37 0.07 0.00 -0.31 0.00 0.00 39.34 39.59 1e14 n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1e14 n ALA 244 N -1.53 2.77 -0.36 -0.72 0.00 0.62 -4.66 120.51 116.62 1e14 n ALA 244 Ca 0.06 -0.67 0.04 0.00 0.00 0.00 0.00 53.44 52.87 1e14 n ALA 244 Cb 0.35 -0.77 0.11 0.00 0.00 0.00 0.00 19.45 19.14 1e14 n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1e14 h ALA 245 N 4.26 0.51 -0.17 0.00 0.00 -1.65 -1.23 119.26 120.97 1e14 h ALA 245 Ca 0.00 0.35 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1e14 h ALA 245 Cb 0.89 0.82 -0.07 0.00 0.00 0.00 0.00 17.79 19.43 1e14 h ALA 245 CO 0.00 -0.45 -0.32 -1.35 0.00 0.00 0.00 179.25 177.12 1e14 h PRO 246 N -0.00 -0.36 -0.44 0.00 0.11 -1.87 -1.87 132.00 127.56 1e14 h PRO 246 Ca 0.44 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1e14 h PRO 246 Cb 0.68 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1e14 h PRO 246 CO -1.01 -0.24 0.00 1.63 -0.21 0.00 0.00 178.00 178.17 1e14 n LYS 247 N -5.41 1.12 -3.59 1.05 5.02 -0.51 -4.76 118.16 111.08 1e14 n LYS 247 Ca -0.03 -0.13 -0.22 0.00 -2.02 0.00 0.00 58.31 55.91 1e14 n LYS 247 Cb 0.33 -1.25 -0.01 0.00 -0.02 0.00 0.00 35.03 34.08 1e14 n LYS 247 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1e14 s ARG 248 N -1.58 3.42 0.27 1.97 3.52 -0.71 -3.62 118.95 122.22 1e14 s ARG 248 Ca 0.02 -0.56 -0.20 0.00 -0.13 0.00 0.00 55.73 54.87 1e14 s ARG 248 Cb 0.01 -2.76 0.06 0.00 -1.56 0.00 0.00 34.95 30.71 1e14 s ARG 248 CO 0.01 0.23 0.90 -1.59 -0.81 0.00 0.00 175.30 174.04 1e14 s LYS 249 N -4.19 1.71 0.00 5.12 -2.85 -1.23 -4.96 119.74 113.33 1e14 s LYS 249 Ca 0.38 -1.07 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 1e14 s LYS 249 Cb -0.09 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 1e14 s LYS 249 CO 0.33 -0.80 0.00 0.45 0.10 0.00 0.00 175.35 175.43 1e14 n SER 250 N -1.14 0.00 0.00 0.03 2.88 -1.26 -4.97 113.62 109.16 1e14 n SER 250 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1e14 n SER 250 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1e14 n SER 250 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33