#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h96 n ASN 8 N 0.00 0.00 -0.64 1.67 2.04 -1.26 -4.82 115.26 112.25 2h96 n ASN 8 Ca 0.00 0.00 0.11 0.00 -0.44 0.00 0.00 54.58 54.25 2h96 n ASN 8 Cb 0.00 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 37.28 2h96 n ASN 8 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2h96 n ASN 9 N 0.00 2.34 -0.07 0.53 5.03 -1.26 -4.98 115.26 116.84 2h96 n ASN 9 Ca 0.00 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.78 2h96 n ASN 9 Cb 0.00 0.32 0.00 0.00 -1.02 0.00 0.00 39.78 39.08 2h96 n ASN 9 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2h96 n PHE 10 N 0.42 -0.10 0.00 3.10 3.01 -1.26 0.51 117.46 123.14 2h96 n PHE 10 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2h96 n PHE 10 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 2h96 n PHE 10 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25 2h96 n TYR 11 N -0.03 0.00 -3.58 1.38 4.11 -0.89 -4.63 117.16 113.52 2h96 n TYR 11 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.55 2h96 n TYR 11 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.28 2h96 n TYR 11 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2h96 s SER 12 N 0.00 6.65 -0.36 9.48 0.15 -1.26 -1.63 113.70 126.73 2h96 s SER 12 Ca 0.00 0.80 0.02 0.00 0.70 0.00 0.00 55.95 57.47 2h96 s SER 12 Cb 0.00 -2.18 0.15 0.00 -1.71 0.00 0.00 66.02 62.28 2h96 s SER 12 CO 0.00 0.21 0.33 0.68 1.20 0.00 0.00 173.24 175.66 2h96 s VAL 13 N -1.33 -0.20 -0.49 4.45 -7.23 -1.15 -4.96 120.40 109.49 2h96 s VAL 13 Ca 0.31 -1.20 -0.43 0.00 -1.81 0.00 0.00 61.98 58.85 2h96 s VAL 13 Cb -0.14 -0.80 -0.19 0.00 0.56 0.00 0.00 36.38 35.81 2h96 s VAL 13 CO 0.17 -0.70 2.05 1.21 -0.31 0.00 0.00 175.10 177.52 2h96 n GLU 14 N 4.19 0.00 -3.36 4.82 2.13 -1.26 -3.46 120.64 123.70 2h96 n GLU 14 Ca 0.11 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.48 2h96 n GLU 14 Cb 0.43 -1.47 -0.02 0.00 0.27 0.00 0.00 31.44 30.65 2h96 n GLU 14 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2h96 s ILE 15 N 5.65 5.64 0.00 6.31 -1.09 -1.20 -4.92 121.20 131.59 2h96 s ILE 15 Ca 1.16 -2.86 0.00 0.00 -2.23 0.00 0.00 60.65 56.73 2h96 s ILE 15 Cb -1.47 -4.45 0.00 0.00 -1.58 0.00 0.00 42.46 34.96 2h96 s ILE 15 CO 0.66 -1.08 0.00 0.61 -1.23 0.00 0.00 174.94 173.90 2h96 n GLY 16 N 3.47 2.35 0.00 6.18 0.00 -1.26 -3.27 105.19 112.65 2h96 n GLY 16 Ca 0.17 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2h96 n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2h96 n ASP 17 N 5.09 0.00 0.00 1.61 8.00 -1.26 -4.73 116.55 125.26 2h96 n ASP 17 Ca 0.00 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2h96 n ASP 17 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2h96 n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2h96 n SER 18 N -0.43 0.00 -3.69 -2.24 3.41 -1.20 -5.13 113.62 104.33 2h96 n SER 18 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2h96 n SER 18 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 2h96 n SER 18 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2h96 s THR 19 N 1.50 -0.00 0.69 6.66 2.01 -1.26 -3.23 115.64 122.00 2h96 s THR 19 Ca 0.00 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.05 2h96 s THR 19 Cb 0.00 -0.73 0.13 0.00 0.01 0.00 0.00 72.50 71.91 2h96 s THR 19 CO 0.00 0.00 0.95 0.49 -0.69 0.00 0.00 174.62 175.37 2h96 n PHE 20 N 3.00 -2.66 -3.15 4.92 3.01 -1.22 -4.88 117.46 116.48 2h96 n PHE 20 Ca -0.15 -1.96 0.05 0.00 1.01 0.00 0.00 57.45 56.40 2h96 n PHE 20 Cb 0.56 -0.68 -0.00 0.00 -0.01 0.00 0.00 39.48 39.35 2h96 n PHE 20 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2h96 s THR 21 N -2.99 -0.47 0.25 4.37 2.01 -1.25 -2.93 115.64 114.62 2h96 s THR 21 Ca 0.66 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.73 2h96 s THR 21 Cb -0.04 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 2h96 s THR 21 CO 0.43 0.00 -0.09 0.68 -0.69 0.00 0.00 174.62 174.95 2h96 s VAL 22 N 2.92 1.64 0.54 3.82 -7.23 -0.64 -4.81 120.40 116.64 2h96 s VAL 22 Ca 0.18 -2.15 -0.22 0.00 -1.81 0.00 0.00 61.98 57.98 2h96 s VAL 22 Cb -0.06 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 2h96 s VAL 22 CO -0.21 -0.42 1.37 0.18 -0.31 0.00 0.00 175.10 175.71 2h96 n LEU 23 N -0.49 5.52 -0.20 1.32 4.77 -1.26 -2.10 117.00 124.55 2h96 n LEU 23 Ca -0.06 0.99 0.08 0.00 -0.03 0.00 0.00 56.01 56.99 2h96 n LEU 23 Cb 0.62 -1.58 0.37 0.00 -2.33 0.00 0.00 43.42 40.50 2h96 n LEU 23 CO 0.37 -0.53 1.22 0.11 -1.33 0.00 0.00 177.39 177.23 2h96 h LYS 24 N 1.52 0.69 0.00 3.23 1.57 -0.20 -2.60 116.57 120.78 2h96 h LYS 24 Ca -0.51 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2h96 h LYS 24 Cb 1.30 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2h96 h LYS 24 CO 0.57 0.46 0.17 2.89 -0.57 0.00 0.00 179.45 182.97 2h96 n ARG 25 N -4.50 0.00 -4.04 3.15 1.85 -1.26 -3.96 116.66 107.91 2h96 n ARG 25 Ca 0.12 0.15 -0.33 0.00 -1.00 0.00 0.00 57.85 56.79 2h96 n ARG 25 Cb 0.30 -1.67 -0.15 0.00 -1.05 0.00 0.00 32.46 29.89 2h96 n ARG 25 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2h96 s TYR 26 N -2.10 3.13 0.23 2.89 2.02 -0.98 0.22 117.35 122.76 2h96 s TYR 26 Ca 0.00 -1.98 0.05 0.00 -0.37 0.00 0.00 57.07 54.77 2h96 s TYR 26 Cb 0.00 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.53 2h96 s TYR 26 CO 0.00 -0.83 -0.06 -1.14 -1.57 0.00 0.00 175.55 171.96 2h96 s GLN 27 N 1.20 1.36 -0.15 -0.62 2.00 -0.19 -4.83 119.66 118.44 2h96 s GLN 27 Ca -0.04 -1.66 -0.00 0.00 -2.00 0.00 0.00 55.36 51.66 2h96 s GLN 27 Cb -0.18 -0.86 0.00 0.00 0.80 0.00 0.00 33.01 32.78 2h96 s GLN 27 CO -0.06 0.01 0.00 0.09 -0.50 0.00 0.00 175.29 174.83 2h96 n ASN 28 N -0.43 -1.40 -4.53 6.67 4.13 -1.26 -1.43 115.26 117.00 2h96 n ASN 28 Ca -0.06 -0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.80 2h96 n ASN 28 Cb 0.63 -0.86 -0.06 0.00 -1.54 0.00 0.00 39.78 37.95 2h96 n ASN 28 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2h96 n LEU 29 N -0.25 1.91 -4.13 3.41 7.99 -1.26 -4.58 117.00 120.09 2h96 n LEU 29 Ca -0.02 -0.20 -0.33 0.00 -0.01 0.00 0.00 56.01 55.44 2h96 n LEU 29 Cb 0.52 -1.40 -0.16 0.00 -0.11 0.00 0.00 43.42 42.27 2h96 n LEU 29 CO 0.02 -1.23 -0.52 -1.59 -1.51 0.00 0.00 177.39 172.56 2h96 s LYS 30 N 8.08 3.01 -0.01 3.23 -2.85 -1.04 -4.94 119.74 125.22 2h96 s LYS 30 Ca 1.08 -0.82 -0.30 0.00 -1.00 0.00 0.00 55.97 54.93 2h96 s LYS 30 Cb -0.51 -2.58 -0.08 0.00 -2.06 0.00 0.00 37.83 32.61 2h96 s LYS 30 CO 0.34 -0.20 1.90 -1.25 0.10 0.00 0.00 175.35 176.25 2h96 s PRO 31 N 1.26 4.08 0.00 1.78 0.04 -1.26 -0.32 135.00 140.58 2h96 s PRO 31 Ca 0.04 2.45 0.17 0.00 0.04 0.00 0.00 61.00 63.71 2h96 s PRO 31 Cb -0.13 -4.13 -0.18 0.00 0.04 0.00 0.00 34.50 30.10 2h96 s PRO 31 CO -0.12 -1.01 0.75 0.44 0.04 0.00 0.00 177.00 177.10 2h96 n ILE 32 N 5.69 0.00 -3.54 0.56 -5.35 0.13 -4.89 119.36 111.96 2h96 n ILE 32 Ca 0.20 -0.10 -0.11 0.00 -0.27 0.00 0.00 62.75 62.47 2h96 n ILE 32 Cb 0.42 1.01 -0.02 0.00 -1.74 0.00 0.00 39.64 39.31 2h96 n ILE 32 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2h96 s GLY 33 N -2.61 -0.45 -0.45 3.28 0.00 -0.93 -4.98 107.32 101.19 2h96 s GLY 33 Ca 0.07 0.24 0.07 0.00 0.00 0.00 0.00 44.72 45.10 2h96 s GLY 33 CO 0.70 0.03 1.06 -1.26 0.00 0.00 0.00 173.10 173.63 2h96 n SER 34 N -0.37 -1.98 -4.39 1.64 2.88 -1.26 -2.11 113.62 108.02 2h96 n SER 34 Ca -0.14 -3.61 -0.29 0.00 -1.33 0.00 0.00 58.87 53.50 2h96 n SER 34 Cb 0.64 1.62 0.15 0.00 -0.75 0.00 0.00 64.21 65.87 2h96 n SER 34 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2h96 s GLY 35 N -1.42 1.73 0.57 0.46 0.00 -1.07 -4.96 107.32 102.63 2h96 s GLY 35 Ca 0.25 -1.06 0.27 0.00 0.00 0.00 0.00 44.72 44.17 2h96 s GLY 35 CO -0.06 -0.39 2.19 0.00 0.00 0.00 0.00 173.10 174.84 2h96 h ALA 36 N -1.40 1.72 -0.83 3.20 0.00 -1.98 -2.67 119.26 117.29 2h96 h ALA 36 Ca -0.45 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.11 2h96 h ALA 36 Cb 1.26 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.85 2h96 h ALA 36 CO 0.47 -0.09 0.43 0.94 0.00 0.00 0.00 179.25 181.00 2h96 n GLN 37 N -4.00 2.87 0.00 0.00 7.27 -1.26 -4.94 117.38 117.32 2h96 n GLN 37 Ca -0.02 -3.06 0.00 0.00 0.07 0.00 0.00 57.00 53.99 2h96 n GLN 37 Cb 0.15 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 30.64 2h96 n GLN 37 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2h96 n GLY 38 N -0.71 0.93 2.86 1.69 0.00 -1.01 -4.36 105.19 104.60 2h96 n GLY 38 Ca 0.49 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 2h96 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h96 s ILE 39 N -2.28 0.19 -0.07 -0.61 1.01 -1.25 -2.59 121.20 115.60 2h96 s ILE 39 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.69 2h96 s ILE 39 Cb 0.00 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.23 2h96 s ILE 39 CO 0.00 0.10 -0.20 -0.69 0.00 0.00 0.00 174.94 174.15 2h96 s VAL 40 N 0.50 2.53 0.07 2.92 1.01 -0.90 -1.72 120.40 124.82 2h96 s VAL 40 Ca -0.05 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.12 2h96 s VAL 40 Cb -0.08 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2h96 s VAL 40 CO -0.01 0.57 -0.20 0.00 0.00 0.00 0.00 175.10 175.46 2h96 s ALA 42 N -0.99 3.46 -0.18 0.00 0.00 0.56 -1.12 121.76 123.49 2h96 s ALA 42 Ca 0.15 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 2h96 s ALA 42 Cb -0.10 -2.57 0.13 0.00 0.00 0.00 0.00 23.12 20.58 2h96 s ALA 42 CO 0.06 0.34 1.04 0.00 0.00 0.00 0.00 175.76 177.20 2h96 s ALA 43 N -1.99 -1.96 -0.22 0.00 0.00 0.55 -2.51 121.76 115.63 2h96 s ALA 43 Ca 0.50 1.64 -0.17 0.00 0.00 0.00 0.00 51.96 53.93 2h96 s ALA 43 Cb -0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 2h96 s ALA 43 CO 0.23 -0.29 0.45 -0.47 0.00 0.00 0.00 175.76 175.67 2h96 s TYR 44 N -1.00 3.34 -0.66 0.00 5.04 -0.52 0.22 117.35 123.77 2h96 s TYR 44 Ca -0.00 0.64 -0.17 0.00 -2.44 0.00 0.00 57.07 55.10 2h96 s TYR 44 Cb -0.01 -2.61 0.15 0.00 0.35 0.00 0.00 41.96 39.84 2h96 s TYR 44 CO -0.00 -0.11 0.67 0.34 -1.34 0.00 0.00 175.55 175.11 2h96 s ASP 45 N 1.23 6.37 0.34 4.32 3.68 -0.43 -1.02 116.67 131.17 2h96 s ASP 45 Ca 0.20 -1.94 0.14 0.00 2.13 0.00 0.00 52.55 53.08 2h96 s ASP 45 Cb -0.15 -2.25 1.12 0.00 -1.45 0.00 0.00 42.92 40.19 2h96 s ASP 45 CO 0.09 -0.87 1.61 0.00 0.13 0.00 0.00 175.17 176.12 2h96 h ALA 46 N 8.68 1.86 0.66 3.66 0.00 -0.53 0.74 119.26 134.33 2h96 h ALA 46 Ca -0.16 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2h96 h ALA 46 Cb 1.08 0.32 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2h96 h ALA 46 CO 0.99 -0.74 -0.32 0.82 0.00 0.00 0.00 179.25 180.00 2h96 h ILE 47 N 0.11 0.00 0.00 0.00 2.04 -1.92 -3.13 117.51 114.61 2h96 h ILE 47 Ca 0.75 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 66.24 2h96 h ILE 47 Cb 1.82 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2h96 h ILE 47 CO -0.74 0.00 -0.15 -0.07 0.00 0.00 0.00 178.15 177.19 2h96 h LEU 48 N -1.23 0.00 -2.06 1.44 4.07 -1.84 -3.46 115.31 112.23 2h96 h LEU 48 Ca -0.09 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.59 2h96 h LEU 48 Cb 0.68 0.00 0.18 0.00 1.08 0.00 0.00 40.66 42.60 2h96 h LEU 48 CO 0.15 0.15 -0.79 -0.62 -1.08 0.00 0.00 178.44 176.25 2h96 n GLU 49 N -3.29 -4.32 -3.94 1.13 4.71 0.25 -5.03 120.64 110.16 2h96 n GLU 49 Ca 0.00 0.84 -0.08 0.00 -0.01 0.00 0.00 57.16 57.91 2h96 n GLU 49 Cb 0.40 -5.75 -0.08 0.00 -1.01 0.00 0.00 31.44 25.00 2h96 n GLU 49 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2h96 s ARG 50 N -4.84 0.83 0.05 3.49 3.52 -1.21 -4.99 118.95 115.79 2h96 s ARG 50 Ca 0.22 -1.07 -0.21 0.00 -0.13 0.00 0.00 55.73 54.54 2h96 s ARG 50 Cb -0.03 0.31 -0.06 0.00 -1.56 0.00 0.00 34.95 33.61 2h96 s ARG 50 CO 0.71 -0.25 0.63 -0.80 -0.81 0.00 0.00 175.30 174.78 2h96 s ASN 51 N -2.90 7.08 0.27 -2.12 0.01 -1.26 -1.31 114.94 114.71 2h96 s ASN 51 Ca 0.08 1.28 0.02 0.00 -0.71 0.00 0.00 52.86 53.53 2h96 s ASN 51 Cb 0.06 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 2h96 s ASN 51 CO -0.09 0.16 0.09 0.68 -1.51 0.00 0.00 177.10 176.43 2h96 s VAL 52 N -0.58 0.69 -0.08 1.60 -7.23 0.59 -3.57 120.40 111.83 2h96 s VAL 52 Ca 0.32 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2h96 s VAL 52 Cb -0.19 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 2h96 s VAL 52 CO 0.19 -0.01 -0.06 0.00 -0.31 0.00 0.00 175.10 174.91 2h96 s ALA 53 N -3.66 3.01 -0.21 1.32 0.00 0.26 -0.33 121.76 122.15 2h96 s ALA 53 Ca 0.37 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 2h96 s ALA 53 Cb 0.08 -1.27 0.06 0.00 0.00 0.00 0.00 23.12 21.98 2h96 s ALA 53 CO 0.14 0.55 -0.01 0.42 0.00 0.00 0.00 175.76 176.86 2h96 s ILE 54 N -0.73 1.00 -0.18 0.00 1.01 -0.27 -0.62 121.20 121.41 2h96 s ILE 54 Ca 0.11 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 2h96 s ILE 54 Cb -0.11 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 2h96 s ILE 54 CO 0.02 -0.12 0.10 -0.75 0.00 0.00 0.00 174.94 174.19 2h96 s LYS 55 N 1.64 3.95 -0.54 2.79 2.20 0.01 -1.02 119.74 128.77 2h96 s LYS 55 Ca -0.03 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.31 2h96 s LYS 55 Cb -0.18 -3.28 0.14 0.00 -1.51 0.00 0.00 37.83 33.00 2h96 s LYS 55 CO -0.07 0.38 0.33 0.21 -0.36 0.00 0.00 175.35 175.84 2h96 s LYS 56 N 0.11 2.27 0.09 4.03 2.36 -0.70 -1.09 119.74 126.81 2h96 s LYS 56 Ca 0.07 -2.37 -0.35 0.00 -2.55 0.00 0.00 55.97 50.77 2h96 s LYS 56 Cb -0.12 -3.58 -0.18 0.00 -1.05 0.00 0.00 37.83 32.90 2h96 s LYS 56 CO -0.00 -1.13 0.89 1.28 1.55 0.00 0.00 175.35 177.94 2h96 n LEU 57 N 3.67 -0.24 -4.44 5.43 4.32 -1.02 -3.76 117.00 120.96 2h96 n LEU 57 Ca 0.05 1.15 -0.38 0.00 -0.02 0.00 0.00 56.01 56.81 2h96 n LEU 57 Cb 0.38 -0.97 -0.12 0.00 -1.62 0.00 0.00 43.42 41.08 2h96 n LEU 57 CO 0.33 -2.21 -0.24 -0.94 -1.22 0.00 0.00 177.39 173.11 2h96 s SER 58 N -0.35 5.36 -1.00 -1.43 1.04 -1.26 -4.54 113.70 111.52 2h96 s SER 58 Ca 0.79 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 2h96 s SER 58 Cb -1.09 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 63.07 2h96 s SER 58 CO 0.56 -0.13 0.84 0.54 0.98 0.00 0.00 173.24 176.03 2h96 n ARG 59 N 4.95 -5.55 -0.18 4.02 5.12 -1.26 -4.85 116.66 118.91 2h96 n ARG 59 Ca -0.15 0.69 0.13 0.00 -1.93 0.00 0.00 57.85 56.59 2h96 n ARG 59 Cb 0.50 -5.25 0.45 0.00 -1.16 0.00 0.00 32.46 27.00 2h96 n ARG 59 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2h96 h PRO 60 N -1.63 0.51 -0.07 5.56 0.11 -1.91 -2.34 132.00 132.22 2h96 h PRO 60 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2h96 h PRO 60 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2h96 h PRO 60 CO 0.41 0.34 0.00 1.19 -0.21 0.00 0.00 178.00 179.73 2h96 n PHE 61 N -4.50 0.07 -0.25 0.65 3.01 -1.26 -1.30 117.46 113.88 2h96 n PHE 61 Ca 0.14 -0.07 0.12 0.00 1.01 0.00 0.00 57.45 58.66 2h96 n PHE 61 Cb 0.45 -0.00 0.24 0.00 -0.01 0.00 0.00 39.48 40.16 2h96 n PHE 61 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 2h96 n GLN 62 N 0.70 -0.06 -3.82 -1.08 7.27 -0.88 -4.68 117.38 114.83 2h96 n GLN 62 Ca 0.08 1.09 -0.08 0.00 0.07 0.00 0.00 57.00 58.16 2h96 n GLN 62 Cb 0.33 -1.75 0.02 0.00 2.41 0.00 0.00 30.24 31.25 2h96 n GLN 62 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2h96 s ASN 63 N -4.97 -0.00 0.11 1.69 2.20 -1.26 -5.05 114.94 107.66 2h96 s ASN 63 Ca -0.09 -1.07 -0.31 0.00 -0.94 0.00 0.00 52.86 50.45 2h96 s ASN 63 Cb 0.22 0.80 -0.11 0.00 -2.00 0.00 0.00 41.25 40.16 2h96 s ASN 63 CO 0.57 -1.58 1.59 1.56 -2.94 0.00 0.00 177.10 176.30 2h96 h GLN 64 N 2.00 -0.67 -0.84 3.55 4.20 -1.94 -1.55 115.11 119.86 2h96 h GLN 64 Ca -0.31 0.05 0.20 0.00 0.06 0.00 0.00 58.65 58.65 2h96 h GLN 64 Cb 1.25 0.15 -0.12 0.00 0.30 0.00 0.00 27.48 29.05 2h96 h GLN 64 CO 0.40 -0.45 0.28 1.15 -0.67 0.00 0.00 178.83 179.54 2h96 h THR 65 N -0.69 0.45 0.66 -0.54 2.02 -1.97 0.46 112.91 113.29 2h96 h THR 65 Ca 0.01 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 2h96 h THR 65 Cb 0.69 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2h96 h THR 65 CO -0.20 0.06 -0.32 0.45 0.37 0.00 0.00 175.52 175.88 2h96 h HIS 66 N 0.31 -0.82 -0.93 3.16 3.86 -1.73 -2.79 115.15 116.22 2h96 h HIS 66 Ca 0.51 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.84 2h96 h HIS 66 Cb 0.95 0.27 -0.08 0.00 1.06 0.00 0.00 27.41 29.62 2h96 h HIS 66 CO -0.21 -0.47 0.59 0.00 0.86 0.00 0.00 177.93 178.70 2h96 h ALA 67 N -0.82 1.73 0.05 2.45 0.00 -0.19 0.17 119.26 122.65 2h96 h ALA 67 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2h96 h ALA 67 Cb 0.72 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2h96 h ALA 67 CO 0.15 0.02 -0.11 -0.22 0.00 0.00 0.00 179.25 179.09 2h96 h LYS 68 N 0.79 -0.17 -0.65 0.00 3.64 -0.80 0.29 116.57 119.67 2h96 h LYS 68 Ca 0.47 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 2h96 h LYS 68 Cb 0.65 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2h96 h LYS 68 CO -0.23 -0.11 0.42 0.00 -2.27 0.00 0.00 179.45 177.26 2h96 h ARG 69 N -0.17 0.86 -0.96 1.90 3.08 -1.19 0.56 114.38 118.45 2h96 h ARG 69 Ca -0.01 -0.06 0.18 0.00 0.07 0.00 0.00 59.98 60.16 2h96 h ARG 69 Cb 0.16 -0.19 -0.09 0.00 0.08 0.00 0.00 29.97 29.94 2h96 h ARG 69 CO -0.04 0.58 0.61 0.00 -1.07 0.00 0.00 179.97 180.05 2h96 h ALA 70 N 1.23 1.83 0.18 0.04 0.00 -0.58 -0.35 119.26 121.61 2h96 h ALA 70 Ca 0.24 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2h96 h ALA 70 Cb -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2h96 h ALA 70 CO -0.05 -0.14 -0.09 -0.92 0.00 0.00 0.00 179.25 178.05 2h96 h TYR 71 N 0.69 -0.23 -0.50 0.00 3.20 0.05 -2.62 116.97 117.55 2h96 h TYR 71 Ca 0.52 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.46 2h96 h TYR 71 Cb 0.90 0.08 -0.10 0.00 1.54 0.00 0.00 36.73 39.15 2h96 h TYR 71 CO -0.00 0.16 -0.45 0.00 -1.64 0.00 0.00 178.16 176.22 2h96 h ARG 72 N -0.93 -0.27 -0.23 1.82 3.08 -0.18 0.20 114.38 117.88 2h96 h ARG 72 Ca -0.03 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.10 2h96 h ARG 72 Cb 0.49 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 2h96 h ARG 72 CO 0.04 -0.18 -0.20 1.49 -1.07 0.00 0.00 179.97 180.05 2h96 h GLU 73 N -0.28 -0.20 -0.81 0.04 4.81 -1.22 0.25 114.58 117.17 2h96 h GLU 73 Ca 0.15 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.47 2h96 h GLU 73 Cb 0.57 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.89 2h96 h GLU 73 CO -0.64 -0.13 -0.57 1.25 -0.73 0.00 0.00 179.01 178.18 2h96 h LEU 74 N -0.21 -2.04 0.46 1.64 7.12 -0.32 0.36 115.31 122.31 2h96 h LEU 74 Ca 0.13 0.30 -0.01 0.00 0.13 0.00 0.00 57.88 58.43 2h96 h LEU 74 Cb 0.41 0.89 -0.02 0.00 -0.53 0.00 0.00 40.66 41.41 2h96 h LEU 74 CO -0.36 -0.29 -0.45 0.58 -0.13 0.00 0.00 178.44 177.80 2h96 h VAL 75 N -0.13 0.00 -0.88 1.05 2.07 0.19 -3.00 116.25 115.55 2h96 h VAL 75 Ca 0.14 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.79 2h96 h VAL 75 Cb 0.48 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 2h96 h VAL 75 CO -0.83 0.00 0.57 -0.07 0.02 0.00 0.00 177.57 177.26 2h96 h LEU 76 N -0.91 0.68 -1.61 2.57 3.38 0.07 0.75 115.31 120.23 2h96 h LEU 76 Ca -0.06 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.07 2h96 h LEU 76 Cb 0.78 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2h96 h LEU 76 CO -0.05 0.35 0.46 0.24 0.09 0.00 0.00 178.44 179.54 2h96 h MET 77 N 0.72 0.39 0.00 1.13 2.86 -0.17 0.58 114.93 120.45 2h96 h MET 77 Ca 0.44 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 58.04 2h96 h MET 77 Cb 0.65 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 2h96 h MET 77 CO -0.20 0.26 -0.09 -0.22 1.06 0.00 0.00 176.91 177.73 2h96 h LYS 78 N 0.40 0.00 -0.87 1.72 1.63 -0.87 -3.38 116.57 115.21 2h96 h LYS 78 Ca 0.33 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.18 2h96 h LYS 78 Cb 0.72 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.29 2h96 h LYS 78 CO -0.10 0.49 0.54 0.00 -3.45 0.00 0.00 179.45 176.94 2h96 s VAL 80 N -6.07 4.16 -0.35 0.00 1.01 0.18 -4.37 120.40 114.96 2h96 s VAL 80 Ca -0.13 1.93 0.06 0.00 0.00 0.00 0.00 61.98 63.85 2h96 s VAL 80 Cb 0.18 -4.16 0.18 0.00 0.00 0.00 0.00 36.38 32.58 2h96 s VAL 80 CO 0.79 0.33 0.57 0.21 0.00 0.00 0.00 175.10 177.00 2h96 s ASN 81 N -1.39 -1.11 0.01 3.32 2.47 -1.26 -4.86 114.94 112.11 2h96 s ASN 81 Ca 0.45 -0.48 -0.06 0.00 0.42 0.00 0.00 52.86 53.19 2h96 s ASN 81 Cb -0.22 1.77 -0.00 0.00 -1.45 0.00 0.00 41.25 41.34 2h96 s ASN 81 CO 0.28 -0.24 0.10 -2.28 -3.72 0.00 0.00 177.10 171.23 2h96 s HIS 82 N 2.22 0.09 0.18 0.43 2.46 -1.26 -5.03 115.29 114.37 2h96 s HIS 82 Ca 0.13 -0.21 -0.13 0.00 0.47 0.00 0.00 55.06 55.33 2h96 s HIS 82 Cb -0.08 -0.08 0.09 0.00 -0.13 0.00 0.00 32.58 32.38 2h96 s HIS 82 CO -0.16 -0.26 1.82 -0.22 -2.47 0.00 0.00 174.74 173.45 2h96 h LYS 83 N 4.40 0.81 -0.69 2.88 3.64 -1.99 -2.26 116.57 123.36 2h96 h LYS 83 Ca -0.31 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2h96 h LYS 83 Cb 1.20 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2h96 h LYS 83 CO 0.41 0.58 0.00 0.09 -2.27 0.00 0.00 179.45 178.26 2h96 n ASN 84 N -4.62 1.54 -3.91 4.20 5.03 -1.26 -4.71 115.26 111.53 2h96 n ASN 84 Ca 0.04 -2.12 -0.22 0.00 0.87 0.00 0.00 54.58 53.15 2h96 n ASN 84 Cb 0.06 -0.40 -0.17 0.00 -1.02 0.00 0.00 39.78 38.25 2h96 n ASN 84 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2h96 s ILE 85 N -1.47 0.66 0.55 2.41 -1.09 -0.85 -1.69 121.20 119.73 2h96 s ILE 85 Ca 0.10 -0.17 -0.18 0.00 -2.23 0.00 0.00 60.65 58.16 2h96 s ILE 85 Cb 0.07 -0.68 -0.14 0.00 -1.58 0.00 0.00 42.46 40.12 2h96 s ILE 85 CO 0.04 0.26 -0.13 0.00 -1.23 0.00 0.00 174.94 173.88 2h96 n ILE 86 N 4.18 0.18 -4.70 2.92 0.13 0.16 -4.48 119.36 117.75 2h96 n ILE 86 Ca -0.22 -0.50 -0.32 0.00 -1.10 0.00 0.00 62.75 60.61 2h96 n ILE 86 Cb 0.51 -0.06 -0.12 0.00 -0.84 0.00 0.00 39.64 39.13 2h96 n ILE 86 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 2h96 s GLY 87 N -1.02 1.61 0.12 4.50 0.00 -1.26 -4.81 107.32 106.46 2h96 s GLY 87 Ca 0.56 -1.03 -0.27 0.00 0.00 0.00 0.00 44.72 43.98 2h96 s GLY 87 CO 0.67 -0.87 0.86 -2.27 0.00 0.00 0.00 173.10 171.48 2h96 s LEU 88 N -1.09 4.53 -0.03 0.66 2.96 -1.26 -1.71 118.68 122.74 2h96 s LEU 88 Ca 0.14 1.68 -0.00 0.00 -0.22 0.00 0.00 54.13 55.73 2h96 s LEU 88 Cb -0.11 -3.41 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 2h96 s LEU 88 CO 0.04 0.06 -0.03 0.18 -1.32 0.00 0.00 176.35 175.27 2h96 n LEU 89 N 2.30 2.55 -3.72 -0.68 4.77 0.10 -4.88 117.00 117.45 2h96 n LEU 89 Ca -0.02 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 2h96 n LEU 89 Cb 0.49 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 2h96 n LEU 89 CO 0.49 0.48 0.87 0.21 -1.33 0.00 0.00 177.39 178.11 2h96 s ASN 90 N -4.47 -0.11 0.02 -1.43 3.84 -0.25 -4.97 114.94 107.56 2h96 s ASN 90 Ca -0.04 -0.31 -0.15 0.00 0.21 0.00 0.00 52.86 52.56 2h96 s ASN 90 Cb 0.01 0.35 0.02 0.00 -0.55 0.00 0.00 41.25 41.09 2h96 s ASN 90 CO 0.07 -0.65 0.33 0.54 -2.79 0.00 0.00 177.10 174.60 2h96 s VAL 91 N -2.82 0.07 -0.07 -5.21 0.11 -1.26 0.14 120.40 111.35 2h96 s VAL 91 Ca 0.14 -0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 58.34 2h96 s VAL 91 Cb 0.01 -0.81 0.11 0.00 -1.53 0.00 0.00 36.38 34.17 2h96 s VAL 91 CO 0.00 -0.30 0.94 0.72 -3.33 0.00 0.00 175.10 173.13 2h96 s PHE 92 N -1.99 -0.34 0.02 1.54 -0.12 -0.21 -4.20 117.98 112.68 2h96 s PHE 92 Ca -0.09 0.35 0.05 0.00 -0.05 0.00 0.00 56.93 57.20 2h96 s PHE 92 Cb -0.03 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.85 2h96 s PHE 92 CO 0.00 -0.45 -0.16 -0.08 -0.05 0.00 0.00 175.22 174.48 2h96 s THR 93 N -2.39 1.29 -0.23 -4.49 -1.32 -1.26 -1.60 115.64 105.64 2h96 s THR 93 Ca 0.03 -0.90 0.02 0.00 -1.21 0.00 0.00 61.69 59.63 2h96 s THR 93 Cb -0.01 -1.11 0.34 0.00 -1.51 0.00 0.00 72.50 70.21 2h96 s THR 93 CO -0.05 0.20 1.46 -0.81 -2.21 0.00 0.00 174.62 173.21 2h96 n PRO 94 N 2.23 1.63 -4.51 7.08 -0.04 -1.26 -4.84 135.00 135.29 2h96 n PRO 94 Ca -0.16 -1.51 -0.25 0.00 -0.04 0.00 0.00 63.50 61.54 2h96 n PRO 94 Cb 0.54 -1.59 -0.17 0.00 -0.04 0.00 0.00 33.50 32.24 2h96 n PRO 94 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2h96 s GLN 95 N -1.66 1.72 -0.03 0.54 1.11 -1.26 -4.97 119.66 115.11 2h96 s GLN 95 Ca 0.29 -0.41 0.03 0.00 0.01 0.00 0.00 55.36 55.27 2h96 s GLN 95 Cb 0.24 -1.46 0.13 0.00 -1.01 0.00 0.00 33.01 30.91 2h96 s GLN 95 CO 0.05 -0.01 0.76 1.63 0.01 0.00 0.00 175.29 177.74 2h96 n LYS 96 N 3.95 1.60 -4.00 2.91 4.01 -1.26 -4.72 118.16 120.66 2h96 n LYS 96 Ca -0.22 -0.51 -0.12 0.00 -0.51 0.00 0.00 58.31 56.95 2h96 n LYS 96 Cb 0.51 -1.56 -0.03 0.00 -0.51 0.00 0.00 35.03 33.45 2h96 n LYS 96 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2h96 s SER 97 N -0.25 0.51 0.05 4.39 1.04 -1.26 -5.01 113.70 113.17 2h96 s SER 97 Ca 0.09 -1.30 0.27 0.00 0.48 0.00 0.00 55.95 55.49 2h96 s SER 97 Cb 0.07 0.70 0.88 0.00 0.10 0.00 0.00 66.02 67.76 2h96 s SER 97 CO 0.03 -1.37 1.70 -0.11 0.98 0.00 0.00 173.24 174.47 2h96 n LEU 98 N -0.53 0.36 -0.10 2.42 7.94 -1.26 -2.58 117.00 123.26 2h96 n LEU 98 Ca -0.02 0.36 -0.17 0.00 -1.11 0.00 0.00 56.01 55.07 2h96 n LEU 98 Cb 0.61 -0.37 -0.08 0.00 0.53 0.00 0.00 43.42 44.11 2h96 n LEU 98 CO 0.27 -0.01 -1.16 -0.62 -1.11 0.00 0.00 177.39 174.76 2h96 n GLU 99 N -1.72 0.47 -0.35 1.96 4.71 -1.26 -4.42 120.64 120.03 2h96 n GLU 99 Ca 0.06 0.14 0.11 0.00 -0.01 0.00 0.00 57.16 57.46 2h96 n GLU 99 Cb 0.37 -1.33 0.30 0.00 -1.01 0.00 0.00 31.44 29.77 2h96 n GLU 99 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2h96 h GLU 100 N -0.29 0.82 -1.51 3.49 4.81 -1.95 -3.42 114.58 116.53 2h96 h GLU 100 Ca -0.47 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.59 2h96 h GLU 100 Cb 1.59 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.75 2h96 h GLU 100 CO -0.17 0.54 0.60 0.34 -0.73 0.00 0.00 179.01 179.60 2h96 n PHE 101 N -4.67 0.04 0.00 0.92 7.35 -1.06 -4.84 117.46 115.20 2h96 n PHE 101 Ca 0.21 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 2h96 n PHE 101 Cb 0.47 -0.28 0.00 0.00 0.35 0.00 0.00 39.48 40.02 2h96 n PHE 101 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 2h96 n GLN 102 N 1.87 0.00 -4.47 -4.13 7.27 -1.26 -5.06 117.38 111.60 2h96 n GLN 102 Ca 0.20 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 57.05 2h96 n GLN 102 Cb 0.03 -0.24 -0.10 0.00 2.41 0.00 0.00 30.24 32.35 2h96 n GLN 102 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 2h96 s ASP 103 N -1.00 2.47 0.08 1.69 3.84 -1.26 -4.92 116.67 117.57 2h96 s ASP 103 Ca 0.00 -1.49 0.04 0.00 -0.00 0.00 0.00 52.55 51.10 2h96 s ASP 103 Cb 0.00 0.16 -0.04 0.00 -1.38 0.00 0.00 42.92 41.66 2h96 s ASP 103 CO 0.00 -0.74 0.03 -0.69 -0.00 0.00 0.00 175.17 173.77 2h96 s VAL 104 N -3.29 4.22 -0.03 2.11 1.01 -1.26 -4.45 120.40 118.70 2h96 s VAL 104 Ca 0.31 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2h96 s VAL 104 Cb 0.06 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2h96 s VAL 104 CO 0.15 0.14 -0.11 -0.31 0.00 0.00 0.00 175.10 174.96 2h96 s TYR 105 N -1.33 1.14 -0.06 5.22 1.51 -0.63 -2.44 117.35 120.77 2h96 s TYR 105 Ca 0.27 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 56.07 2h96 s TYR 105 Cb -0.12 -0.80 -0.00 0.00 -0.11 0.00 0.00 41.96 40.93 2h96 s TYR 105 CO 0.19 -0.12 -0.19 0.42 -1.11 0.00 0.00 175.55 174.74 2h96 s ILE 106 N 0.16 1.63 -0.36 2.71 1.01 -0.25 -1.04 121.20 125.06 2h96 s ILE 106 Ca -0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 2h96 s ILE 106 Cb -0.09 -1.40 0.08 0.00 0.01 0.00 0.00 42.46 41.05 2h96 s ILE 106 CO 0.01 0.46 0.11 -0.69 0.00 0.00 0.00 174.94 174.83 2h96 s VAL 107 N 0.13 3.25 0.23 2.92 1.01 0.37 -0.81 120.40 127.50 2h96 s VAL 107 Ca -0.08 -1.67 0.07 0.00 0.00 0.00 0.00 61.98 60.30 2h96 s VAL 107 Cb -0.14 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2h96 s VAL 107 CO 0.04 -0.40 0.15 -0.04 0.00 0.00 0.00 175.10 174.85 2h96 s MET 108 N 1.22 2.83 0.93 2.72 -1.94 0.21 0.00 119.30 125.28 2h96 s MET 108 Ca 0.02 -1.06 -0.11 0.00 -1.71 0.00 0.00 55.69 52.83 2h96 s MET 108 Cb -0.21 -2.53 0.15 0.00 2.01 0.00 0.00 34.83 34.26 2h96 s MET 108 CO -0.02 0.42 1.12 -1.83 -0.01 0.00 0.00 175.02 174.69 2h96 s GLU 109 N -3.63 0.89 0.06 2.03 -1.05 -0.69 0.91 118.70 117.22 2h96 s GLU 109 Ca 0.32 1.33 0.07 0.00 -0.15 0.00 0.00 54.97 56.55 2h96 s GLU 109 Cb -0.08 -1.73 -0.03 0.00 -0.44 0.00 0.00 34.13 31.85 2h96 s GLU 109 CO 0.24 -2.64 -0.17 -1.17 0.95 0.00 0.00 175.26 172.46 2h96 s LEU 110 N -6.58 2.67 0.00 1.83 2.96 -1.23 -4.11 118.68 114.21 2h96 s LEU 110 Ca 0.66 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.13 2h96 s LEU 110 Cb -0.22 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 44.92 2h96 s LEU 110 CO 0.59 0.24 0.00 0.23 -1.32 0.00 0.00 176.35 176.08 2h96 n MET 111 N 1.35 2.35 -0.06 1.98 2.81 -1.26 -4.93 117.12 119.37 2h96 n MET 111 Ca -0.16 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.69 2h96 n MET 111 Cb 0.52 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.99 2h96 n MET 111 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2h96 h ASP 112 N 0.00 0.00 -1.58 7.83 3.32 -1.55 -3.49 116.42 120.95 2h96 h ASP 112 Ca 0.00 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 2h96 h ASP 112 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2h96 h ASP 112 CO 0.00 0.67 0.01 0.00 -1.72 0.00 0.00 179.24 178.20 2h96 n ALA 113 N -2.77 -0.16 -1.00 3.45 0.00 -0.90 -4.98 120.51 114.15 2h96 n ALA 113 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2h96 n ALA 113 Cb 0.16 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2h96 n ALA 113 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2h96 n ASN 114 N -1.53 -0.02 -0.00 0.00 5.03 -1.26 -1.35 115.26 116.13 2h96 n ASN 114 Ca -0.01 -0.04 0.05 0.00 0.87 0.00 0.00 54.58 55.45 2h96 n ASN 114 Cb 0.08 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.78 2h96 n ASN 114 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2h96 n LEU 115 N 0.00 0.10 -0.24 3.41 -0.00 -0.90 -4.06 117.00 115.31 2h96 n LEU 115 Ca 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 56.01 55.89 2h96 n LEU 115 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 43.53 2h96 n LEU 115 CO 0.00 0.02 1.10 0.00 -0.00 0.00 0.00 177.39 178.51 2h96 h GLN 117 N 0.70 0.12 0.00 0.00 5.75 -1.97 -0.50 115.11 119.21 2h96 h GLN 117 Ca 0.32 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.70 2h96 h GLN 117 Cb 0.22 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 2h96 h GLN 117 CO -0.20 0.08 -0.51 0.28 -2.65 0.00 0.00 178.83 175.83 2h96 h VAL 118 N 0.12 1.27 0.00 2.39 2.07 -1.02 -0.77 116.25 120.33 2h96 h VAL 118 Ca 0.30 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 66.00 2h96 h VAL 118 Cb 0.46 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2h96 h VAL 118 CO -0.48 0.50 0.00 -0.38 0.02 0.00 0.00 177.57 177.23 2h96 n ILE 119 N -3.79 0.28 -1.37 4.57 5.41 0.29 -2.74 119.36 122.00 2h96 n ILE 119 Ca -0.01 0.07 -0.15 0.00 1.00 0.00 0.00 62.75 63.66 2h96 n ILE 119 Cb 0.55 -0.72 0.18 0.00 -0.71 0.00 0.00 39.64 38.95 2h96 n ILE 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2h96 n GLN 120 N -1.24 2.08 -3.51 0.38 1.13 -0.29 -4.35 117.38 111.58 2h96 n GLN 120 Ca 0.11 -3.14 -0.15 0.00 -1.94 0.00 0.00 57.00 51.88 2h96 n GLN 120 Cb 0.16 -2.00 -0.05 0.00 0.11 0.00 0.00 30.24 28.46 2h96 n GLN 120 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2h96 s MET 121 N -3.31 1.12 -0.32 -1.09 0.23 -1.11 -5.03 119.30 109.79 2h96 s MET 121 Ca 0.51 -0.12 -0.19 0.00 -1.03 0.00 0.00 55.69 54.86 2h96 s MET 121 Cb 0.44 0.52 -0.01 0.00 -1.53 0.00 0.00 34.83 34.25 2h96 s MET 121 CO 0.04 -0.41 0.54 -1.21 -2.03 0.00 0.00 175.02 171.95 2h96 s GLU 122 N -2.37 3.80 0.51 3.16 2.02 -1.26 -4.97 118.70 119.59 2h96 s GLU 122 Ca -0.06 0.07 0.06 0.00 0.02 0.00 0.00 54.97 55.06 2h96 s GLU 122 Cb -0.01 -3.75 0.04 0.00 0.10 0.00 0.00 34.13 30.51 2h96 s GLU 122 CO -0.01 -0.55 0.71 -0.51 0.02 0.00 0.00 175.26 174.91 2h96 s LEU 123 N 2.43 3.39 0.16 1.80 1.43 -1.26 -5.12 118.68 121.51 2h96 s LEU 123 Ca 0.21 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 2h96 s LEU 123 Cb -0.15 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2h96 s LEU 123 CO 0.12 -1.07 0.17 1.51 0.23 0.00 0.00 176.35 177.31 2h96 s ASP 124 N -4.46 5.70 0.25 2.29 -4.77 -1.26 -4.56 116.67 109.86 2h96 s ASP 124 Ca 0.58 -0.06 -0.13 0.00 -3.30 0.00 0.00 52.55 49.64 2h96 s ASP 124 Cb -0.09 -1.55 0.33 0.00 -1.09 0.00 0.00 42.92 40.53 2h96 s ASP 124 CO 0.37 0.07 1.57 0.45 0.70 0.00 0.00 175.17 178.32 2h96 h HIS 125 N 2.36 -0.75 -0.11 2.11 3.86 -1.90 -0.59 115.15 120.13 2h96 h HIS 125 Ca -0.48 0.09 0.04 0.00 -1.16 0.00 0.00 60.37 58.87 2h96 h HIS 125 Cb 1.20 0.47 -0.06 0.00 1.06 0.00 0.00 27.41 30.08 2h96 h HIS 125 CO 0.57 -0.40 -0.33 0.93 0.86 0.00 0.00 177.93 179.56 2h96 h GLU 126 N -0.01 -0.40 0.05 2.45 5.08 -1.95 0.27 114.58 120.07 2h96 h GLU 126 Ca 0.40 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2h96 h GLU 126 Cb 0.64 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2h96 h GLU 126 CO -0.95 -0.27 -0.02 -0.09 -1.00 0.00 0.00 179.01 176.67 2h96 h ARG 127 N -0.42 -0.06 0.21 2.33 2.43 -1.55 0.22 114.38 117.54 2h96 h ARG 127 Ca 0.09 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2h96 h ARG 127 Cb 0.56 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 2h96 h ARG 127 CO -0.34 -0.02 -0.43 1.98 -1.51 0.00 0.00 179.97 179.65 2h96 h MET 128 N -0.09 -0.70 -0.48 0.20 4.05 -1.05 0.11 114.93 116.98 2h96 h MET 128 Ca -0.01 0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 2h96 h MET 128 Cb 0.07 0.16 -0.08 0.00 -0.80 0.00 0.00 31.60 30.95 2h96 h MET 128 CO 0.01 -0.47 -0.51 1.03 0.23 0.00 0.00 176.91 177.20 2h96 h SER 129 N -0.73 -1.74 -0.97 1.39 0.87 -0.23 0.12 113.55 112.26 2h96 h SER 129 Ca 0.00 0.24 0.15 0.00 -1.23 0.00 0.00 61.79 60.94 2h96 h SER 129 Cb 0.72 0.72 -0.08 0.00 -0.44 0.00 0.00 62.40 63.31 2h96 h SER 129 CO -0.20 -0.33 0.61 0.22 -0.53 0.00 0.00 176.83 176.60 2h96 h TYR 130 N -0.29 1.02 -0.51 2.24 3.20 -0.15 0.12 116.97 122.60 2h96 h TYR 130 Ca 0.08 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 2h96 h TYR 130 Cb 0.50 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2h96 h TYR 130 CO -0.78 0.35 -0.08 -0.07 -1.64 0.00 0.00 178.16 175.94 2h96 h LEU 131 N 0.84 0.96 -0.77 2.82 3.38 0.10 -1.53 115.31 121.11 2h96 h LEU 131 Ca 0.50 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 2h96 h LEU 131 Cb 0.67 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2h96 h LEU 131 CO -0.27 1.08 -0.11 -0.07 0.09 0.00 0.00 178.44 179.16 2h96 h LEU 132 N 0.83 0.81 -0.23 1.67 -0.00 0.80 -0.98 115.31 118.21 2h96 h LEU 132 Ca 0.14 -0.24 0.02 0.00 -0.00 0.00 0.00 57.88 57.79 2h96 h LEU 132 Cb 0.64 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 2h96 h LEU 132 CO 0.04 0.94 0.08 0.22 -0.00 0.00 0.00 178.44 179.72 2h96 h TYR 133 N 0.74 0.15 -0.08 1.13 3.20 -0.57 0.31 116.97 121.85 2h96 h TYR 133 Ca 0.12 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2h96 h TYR 133 Cb 0.60 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 2h96 h TYR 133 CO 0.03 0.07 0.02 1.96 -1.64 0.00 0.00 178.16 178.60 2h96 h GLN 134 N 0.19 0.13 -0.57 1.82 4.20 -1.15 0.18 115.11 119.91 2h96 h GLN 134 Ca 0.10 -0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.89 2h96 h GLN 134 Cb 0.07 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.73 2h96 h GLN 134 CO -0.10 0.33 -0.09 1.98 -0.67 0.00 0.00 178.83 180.28 2h96 h MET 135 N -0.10 0.04 -0.66 1.46 4.05 -0.79 0.13 114.93 119.06 2h96 h MET 135 Ca 0.02 -0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.37 2h96 h MET 135 Cb 0.27 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 2h96 h MET 135 CO 0.00 0.03 0.12 -0.07 0.23 0.00 0.00 176.91 177.22 2h96 h LEU 136 N 0.04 1.03 -1.44 3.39 3.38 -0.14 -2.09 115.31 119.48 2h96 h LEU 136 Ca 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2h96 h LEU 136 Cb 0.44 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2h96 h LEU 136 CO -0.55 1.02 -0.00 0.00 0.09 0.00 0.00 178.44 179.00 2h96 h GLY 138 N 0.67 0.77 0.67 0.00 0.00 -0.48 -3.07 103.07 101.62 2h96 h GLY 138 Ca 0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.58 2h96 h GLY 138 CO 0.01 0.72 -0.27 -2.22 0.00 0.00 0.00 176.54 174.78 2h96 h ILE 139 N 0.45 0.22 -0.76 2.60 2.04 -0.77 -2.90 117.51 118.38 2h96 h ILE 139 Ca 0.04 -0.43 0.22 0.00 1.00 0.00 0.00 64.86 65.70 2h96 h ILE 139 Cb 0.88 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2h96 h ILE 139 CO 0.08 0.04 1.16 0.50 0.00 0.00 0.00 178.15 179.93 2h96 h LYS 140 N -1.09 0.00 0.00 2.37 1.63 -0.34 0.24 116.57 119.38 2h96 h LYS 140 Ca -0.08 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 2h96 h LYS 140 Cb 0.63 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 2h96 h LYS 140 CO 0.12 0.00 -0.12 1.25 -3.45 0.00 0.00 179.45 177.25 2h96 h HIS 141 N 0.00 0.00 -0.44 1.91 2.76 -1.41 -2.71 115.15 115.26 2h96 h HIS 141 Ca 0.36 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.52 2h96 h HIS 141 Cb 2.68 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 31.62 2h96 h HIS 141 CO 0.00 0.82 0.23 -0.07 -1.30 0.00 0.00 177.93 177.60 2h96 h LEU 142 N -1.00 0.53 -1.05 0.26 4.07 -0.54 -1.18 115.31 116.41 2h96 h LEU 142 Ca -0.03 -0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.81 2h96 h LEU 142 Cb 0.81 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 2h96 h LEU 142 CO -0.02 0.45 -0.15 0.45 -1.08 0.00 0.00 178.44 178.08 2h96 h HIS 143 N 0.61 0.54 0.00 1.13 3.86 -0.99 -1.77 115.15 118.53 2h96 h HIS 143 Ca 0.16 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2h96 h HIS 143 Cb 0.04 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.37 2h96 h HIS 143 CO 0.00 0.63 0.00 -1.13 0.86 0.00 0.00 177.93 178.30 2h96 n SER 144 N -4.18 0.00 0.00 2.45 3.41 -0.45 -1.00 113.62 113.85 2h96 n SER 144 Ca 0.00 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 2h96 n SER 144 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2h96 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h96 n ALA 145 N -0.90 1.84 0.00 7.33 0.00 -0.87 -4.75 120.51 123.16 2h96 n ALA 145 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2h96 n ALA 145 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2h96 n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h96 n GLY 146 N -0.27 3.32 3.69 0.00 0.00 -0.17 -4.94 105.19 106.82 2h96 n GLY 146 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2h96 n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h96 s ILE 147 N -2.34 2.77 -0.06 -0.61 1.01 -0.72 -3.63 121.20 117.62 2h96 s ILE 147 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.94 2h96 s ILE 147 Cb 0.00 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 2h96 s ILE 147 CO 0.00 0.00 -0.13 -0.63 0.00 0.00 0.00 174.94 174.18 2h96 s ILE 148 N 2.64 3.18 -0.04 2.92 1.01 0.00 -2.76 121.20 128.15 2h96 s ILE 148 Ca 0.77 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 60.66 2h96 s ILE 148 Cb -0.43 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 2h96 s ILE 148 CO 0.34 0.58 0.41 -0.74 0.00 0.00 0.00 174.94 175.54 2h96 h HIS 149 N 5.49 -0.29 0.00 3.97 -0.00 -1.88 -0.25 115.15 122.19 2h96 h HIS 149 Ca -0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 2h96 h HIS 149 Cb 1.16 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 2h96 h HIS 149 CO 0.51 -0.18 0.00 0.54 -0.00 0.00 0.00 177.93 178.80 2h96 n ARG 150 N -4.45 0.00 -2.68 5.26 1.74 -1.26 -3.31 116.66 111.96 2h96 n ARG 150 Ca -0.04 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.90 2h96 n ARG 150 Cb 0.12 -1.41 0.02 0.00 -1.02 0.00 0.00 32.46 30.17 2h96 n ARG 150 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2h96 n ASP 151 N 0.00 2.14 -4.60 0.55 2.03 -1.26 -4.89 116.55 110.53 2h96 n ASP 151 Ca 0.00 -2.97 -0.42 0.00 0.52 0.00 0.00 54.79 51.92 2h96 n ASP 151 Cb 0.00 -0.52 -0.05 0.00 -0.72 0.00 0.00 41.12 39.83 2h96 n ASP 151 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2h96 s LEU 152 N -3.16 4.08 0.22 -2.67 1.43 -1.26 -4.82 118.68 112.49 2h96 s LEU 152 Ca 0.33 0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 53.77 2h96 s LEU 152 Cb 0.43 -3.11 0.01 0.00 0.03 0.00 0.00 46.19 43.55 2h96 s LEU 152 CO -0.02 -0.75 0.50 -1.59 0.23 0.00 0.00 176.35 174.72 2h96 s LYS 153 N 3.19 1.44 0.26 1.70 -2.85 -1.26 -4.80 119.74 117.42 2h96 s LYS 153 Ca 0.34 -1.03 -0.01 0.00 -1.00 0.00 0.00 55.97 54.27 2h96 s LYS 153 Cb -0.13 0.50 0.52 0.00 -2.06 0.00 0.00 37.83 36.66 2h96 s LYS 153 CO 0.16 -0.61 1.77 -1.35 0.10 0.00 0.00 175.35 175.43 2h96 h PRO 154 N 2.24 0.66 -0.69 1.78 0.11 -1.94 0.98 132.00 135.13 2h96 h PRO 154 Ca -0.27 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 66.00 2h96 h PRO 154 Cb 1.25 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2h96 h PRO 154 CO 0.37 0.44 0.50 0.77 -0.21 0.00 0.00 178.00 179.86 2h96 h SER 155 N 0.68 0.01 -0.12 -2.05 0.02 -1.97 -1.65 113.55 108.47 2h96 h SER 155 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2h96 h SER 155 Cb 0.61 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2h96 h SER 155 CO -0.34 0.01 0.00 0.59 -1.14 0.00 0.00 176.83 175.95 2h96 n ASN 156 N -4.34 2.70 -4.24 3.07 3.02 0.32 -4.89 115.26 110.91 2h96 n ASN 156 Ca 0.14 -1.88 -0.33 0.00 -0.03 0.00 0.00 54.58 52.48 2h96 n ASN 156 Cb 0.75 -0.06 -0.16 0.00 -0.61 0.00 0.00 39.78 39.70 2h96 n ASN 156 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h96 s ILE 157 N -1.87 2.40 0.08 2.41 1.01 -0.63 -1.69 121.20 122.91 2h96 s ILE 157 Ca 0.33 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 60.14 2h96 s ILE 157 Cb 0.21 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2h96 s ILE 157 CO 0.31 0.54 0.04 0.68 0.00 0.00 0.00 174.94 176.50 2h96 s VAL 158 N 0.67 4.27 0.22 2.92 -7.23 -1.04 -2.12 120.40 118.09 2h96 s VAL 158 Ca -0.09 -0.84 0.03 0.00 -1.81 0.00 0.00 61.98 59.27 2h96 s VAL 158 Cb -0.16 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 33.70 2h96 s VAL 158 CO 0.02 0.15 -0.01 0.68 -0.31 0.00 0.00 175.10 175.63 2h96 s VAL 159 N -1.32 1.00 0.44 1.32 -7.23 -0.45 -0.88 120.40 113.28 2h96 s VAL 159 Ca 0.27 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 2h96 s VAL 159 Cb -0.12 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 2h96 s VAL 159 CO 0.19 -0.37 0.09 -0.75 -0.31 0.00 0.00 175.10 173.95 2h96 s LYS 160 N -3.86 2.02 0.35 4.82 2.20 -0.90 -1.26 119.74 123.10 2h96 s LYS 160 Ca 0.27 -2.25 0.19 0.00 -0.36 0.00 0.00 55.97 53.82 2h96 s LYS 160 Cb 0.05 -0.93 0.33 0.00 -1.51 0.00 0.00 37.83 35.77 2h96 s LYS 160 CO 0.08 -0.43 1.57 0.77 -0.36 0.00 0.00 175.35 176.97 2h96 h SER 161 N 1.65 0.00 0.00 1.43 0.02 -2.00 -2.93 113.55 111.71 2h96 h SER 161 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2h96 h SER 161 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2h96 h SER 161 CO 0.63 0.34 0.00 -0.90 -1.14 0.00 0.00 176.83 175.76 2h96 n ASP 162 N -3.24 0.00 -2.54 3.07 5.75 -1.26 -4.86 116.55 113.47 2h96 n ASP 162 Ca 0.02 -1.02 -0.09 0.00 -0.01 0.00 0.00 54.79 53.69 2h96 n ASP 162 Cb 0.62 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.76 2h96 n ASP 162 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2h96 s THR 164 N -3.23 -0.05 0.49 0.00 -4.23 -1.26 -4.95 115.64 102.41 2h96 s THR 164 Ca 0.20 0.34 0.08 0.00 -1.18 0.00 0.00 61.69 61.13 2h96 s THR 164 Cb -0.03 -0.16 0.03 0.00 1.34 0.00 0.00 72.50 73.68 2h96 s THR 164 CO 0.45 0.16 0.54 -1.48 -0.54 0.00 0.00 174.62 173.75 2h96 s LEU 165 N 1.83 3.20 -0.21 4.79 2.34 -1.26 -2.13 118.68 127.25 2h96 s LEU 165 Ca 0.01 -0.83 -0.17 0.00 0.06 0.00 0.00 54.13 53.20 2h96 s LEU 165 Cb -0.12 -1.85 0.06 0.00 -0.56 0.00 0.00 46.19 43.71 2h96 s LEU 165 CO -0.03 -0.97 0.55 -0.54 -1.06 0.00 0.00 176.35 174.29 2h96 s LYS 166 N -4.36 0.60 0.80 1.48 1.02 -0.06 -4.65 119.74 114.57 2h96 s LYS 166 Ca 0.50 0.84 -0.11 0.00 0.02 0.00 0.00 55.97 57.22 2h96 s LYS 166 Cb -0.05 0.22 0.07 0.00 -0.52 0.00 0.00 37.83 37.56 2h96 s LYS 166 CO 0.31 -0.10 1.12 0.42 -0.92 0.00 0.00 175.35 176.17 2h96 s ILE 167 N 0.71 2.91 0.27 2.17 -1.09 -0.68 -2.49 121.20 123.00 2h96 s ILE 167 Ca -0.03 0.32 -0.02 0.00 -2.23 0.00 0.00 60.65 58.68 2h96 s ILE 167 Cb -0.05 -2.68 -0.02 0.00 -1.58 0.00 0.00 42.46 38.13 2h96 s ILE 167 CO -0.05 -0.36 0.33 -0.22 -1.23 0.00 0.00 174.94 173.40 2h96 s LEU 168 N -5.95 1.05 0.20 2.97 0.20 -0.68 -0.66 118.68 115.80 2h96 s LEU 168 Ca 0.64 -1.39 0.00 0.00 0.69 0.00 0.00 54.13 54.07 2h96 s LEU 168 Cb -0.20 1.01 0.00 0.00 -0.43 0.00 0.00 46.19 46.57 2h96 s LEU 168 CO 0.54 -1.07 0.00 -0.67 -0.29 0.00 0.00 176.35 174.86 2h96 n ASP 169 N -0.85 -6.63 -0.00 3.68 4.64 -1.26 -4.94 116.55 111.19 2h96 n ASP 169 Ca 0.02 1.30 0.00 0.00 -1.38 0.00 0.00 54.79 54.74 2h96 n ASP 169 Cb 0.63 -4.15 -0.01 0.00 -1.04 0.00 0.00 41.12 36.55 2h96 n ASP 169 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2h96 n PHE 170 N 1.42 0.00 -0.30 -0.67 3.72 -1.26 -4.86 117.46 115.50 2h96 n PHE 170 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 2h96 n PHE 170 Cb 0.00 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.46 2h96 n PHE 170 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2h96 n GLY 171 N 1.65 -2.74 0.34 1.37 0.00 -1.26 -1.16 105.19 103.38 2h96 n GLY 171 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.04 2h96 n GLY 171 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h96 n LEU 172 N -4.63 0.47 -4.95 0.99 4.32 -1.26 -4.50 117.00 107.43 2h96 n LEU 172 Ca 0.01 -0.24 -0.23 0.00 -0.02 0.00 0.00 56.01 55.54 2h96 n LEU 172 Cb 0.19 -0.24 -0.02 0.00 -1.62 0.00 0.00 43.42 41.73 2h96 n LEU 172 CO -0.12 0.12 0.06 0.00 -1.22 0.00 0.00 177.39 176.24 2h96 s ALA 173 N -1.32 3.81 0.00 -1.18 0.00 -0.31 -4.52 121.76 118.24 2h96 s ALA 173 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2h96 s ALA 173 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2h96 s ALA 173 CO 0.00 0.14 0.00 2.89 0.00 0.00 0.00 175.76 178.79 2h96 n ARG 174 N -1.50 0.00 -0.65 0.00 -4.01 -0.10 -4.91 116.66 105.48 2h96 n ARG 174 Ca -0.07 0.00 -0.30 0.00 -1.04 0.00 0.00 57.85 56.44 2h96 n ARG 174 Cb 0.56 0.00 0.19 0.00 -3.04 0.00 0.00 32.46 30.17 2h96 n ARG 174 CO 0.00 0.00 0.00 -0.08 -3.04 0.00 0.00 177.63 174.51 2h96 s THR 175 N -2.00 2.07 1.04 8.89 -1.32 -1.24 -0.82 115.64 122.26 2h96 s THR 175 Ca 0.00 0.02 -0.22 0.00 -1.21 0.00 0.00 61.69 60.28 2h96 s THR 175 Cb 0.00 -2.05 -0.06 0.00 -1.51 0.00 0.00 72.50 68.88 2h96 s THR 175 CO 0.00 -0.03 -0.71 0.00 -2.21 0.00 0.00 174.62 171.68 2h96 n ALA 176 N -4.44 -4.88 -3.00 11.08 0.00 -1.24 -4.82 120.51 113.21 2h96 n ALA 176 Ca 0.09 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.32 2h96 n ALA 176 Cb 0.53 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2h96 n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h96 n GLY 177 N 2.76 1.07 3.47 0.00 0.00 -1.24 -4.86 105.19 106.39 2h96 n GLY 177 Ca -0.00 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 2h96 n GLY 177 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h96 s THR 178 N -2.40 1.65 0.00 2.61 2.01 -1.26 -2.76 115.64 115.48 2h96 s THR 178 Ca 0.00 -2.08 0.00 0.00 0.31 0.00 0.00 61.69 59.92 2h96 s THR 178 Cb 0.00 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.88 2h96 s THR 178 CO 0.00 -0.17 0.00 -0.24 -0.69 0.00 0.00 174.62 173.52 2h96 n SER 179 N -0.69 -1.47 -3.34 3.53 2.88 -1.26 -4.76 113.62 108.51 2h96 n SER 179 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2h96 n SER 179 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 2h96 n SER 179 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2h96 n PHE 180 N 0.00 -1.56 -4.00 0.66 0.99 -1.26 -3.82 117.46 108.47 2h96 n PHE 180 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.19 2h96 n PHE 180 Cb 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 39.48 38.31 2h96 n PHE 180 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2h96 s MET 181 N -1.45 1.51 0.04 -1.08 0.23 -1.26 -5.01 119.30 112.27 2h96 s MET 181 Ca 0.00 -0.26 -0.30 0.00 -1.03 0.00 0.00 55.69 54.09 2h96 s MET 181 Cb 0.00 -1.53 -0.05 0.00 -1.53 0.00 0.00 34.83 31.72 2h96 s MET 181 CO 0.00 -0.22 1.20 -1.64 -2.03 0.00 0.00 175.02 172.32 2h96 s MET 182 N 1.55 4.42 -0.48 3.16 -1.94 -1.26 -3.56 119.30 121.19 2h96 s MET 182 Ca 0.02 1.75 -0.02 0.00 -1.71 0.00 0.00 55.69 55.72 2h96 s MET 182 Cb -0.13 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.29 2h96 s MET 182 CO -0.06 -0.30 0.43 -1.91 -0.01 0.00 0.00 175.02 173.17 2h96 n GLU 183 N 4.21 -1.01 -0.28 2.03 2.13 -1.26 -4.95 120.64 121.52 2h96 n GLU 183 Ca 0.09 0.57 -0.01 0.00 0.66 0.00 0.00 57.16 58.48 2h96 n GLU 183 Cb 0.46 -3.65 0.12 0.00 0.27 0.00 0.00 31.44 28.64 2h96 n GLU 183 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2h96 h PRO 184 N -0.35 0.84 0.00 5.31 0.13 -1.94 -2.63 132.00 133.36 2h96 h PRO 184 Ca -0.23 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2h96 h PRO 184 Cb 1.12 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2h96 h PRO 184 CO 0.20 0.56 0.02 -0.85 -0.23 0.00 0.00 178.00 177.70 2h96 n GLU 185 N -4.68 0.00 0.02 0.86 -0.00 -1.26 -0.09 120.64 115.49 2h96 n GLU 185 Ca 0.10 0.05 -0.18 0.00 -0.00 0.00 0.00 57.16 57.14 2h96 n GLU 185 Cb 0.16 -1.52 -0.14 0.00 -0.00 0.00 0.00 31.44 29.94 2h96 n GLU 185 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 2h96 h VAL 186 N 0.00 0.83 -3.50 3.84 3.04 -1.84 -3.45 116.25 115.17 2h96 h VAL 186 Ca 0.00 -2.54 -0.53 0.00 -1.01 0.00 0.00 66.70 62.62 2h96 h VAL 186 Cb 0.03 2.58 -0.03 0.00 -2.01 0.00 0.00 31.29 31.86 2h96 h VAL 186 CO 0.00 0.79 0.22 -0.69 -1.01 0.00 0.00 177.57 176.88 2h96 s VAL 187 N -2.58 4.55 -0.08 1.51 1.01 0.87 -5.00 120.40 120.67 2h96 s VAL 187 Ca -0.15 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 2h96 s VAL 187 Cb 0.07 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2h96 s VAL 187 CO 0.81 0.40 1.19 -0.89 0.00 0.00 0.00 175.10 176.62 2h96 s THR 188 N -0.40 4.31 0.17 3.92 2.01 -1.26 -4.95 115.64 119.44 2h96 s THR 188 Ca 0.40 1.62 -0.27 0.00 0.31 0.00 0.00 61.69 63.74 2h96 s THR 188 Cb -0.22 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2h96 s THR 188 CO 0.26 -0.03 1.55 -0.09 -0.69 0.00 0.00 174.62 175.62 2h96 h ARG 189 N 7.57 -0.13 -1.12 4.92 2.43 -1.94 -1.60 114.38 124.52 2h96 h ARG 189 Ca -0.32 0.01 0.32 0.00 -0.81 0.00 0.00 59.98 59.18 2h96 h ARG 189 Cb 1.15 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.68 2h96 h ARG 189 CO 0.90 -0.08 0.80 1.88 -1.51 0.00 0.00 179.97 181.95 2h96 h TYR 190 N -0.13 0.06 -0.28 2.20 0.05 -1.83 -2.11 116.97 114.93 2h96 h TYR 190 Ca 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.94 2h96 h TYR 190 Cb 0.52 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 2h96 h TYR 190 CO -0.86 0.00 0.00 0.66 -1.05 0.00 0.00 178.16 176.91 2h96 n TYR 191 N -4.23 1.01 -2.84 4.88 4.02 -0.61 -4.69 117.16 114.70 2h96 n TYR 191 Ca 0.24 -0.96 -0.41 0.00 -0.01 0.00 0.00 57.90 56.76 2h96 n TYR 191 Cb 1.16 -0.34 -0.04 0.00 -0.02 0.00 0.00 39.34 40.10 2h96 n TYR 191 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2h96 s ARG 192 N -2.88 4.51 0.54 -0.72 0.52 -0.79 -4.44 118.95 115.69 2h96 s ARG 192 Ca 0.43 1.21 -0.18 0.00 -0.52 0.00 0.00 55.73 56.67 2h96 s ARG 192 Cb 0.35 -3.46 -0.06 0.00 0.52 0.00 0.00 34.95 32.30 2h96 s ARG 192 CO 0.08 -0.02 1.04 0.00 0.02 0.00 0.00 175.30 176.43 2h96 s ALA 193 N 0.96 2.83 0.26 2.13 0.00 -1.26 -4.81 121.76 121.87 2h96 s ALA 193 Ca 0.46 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 2h96 s ALA 193 Cb -0.20 -3.23 0.55 0.00 0.00 0.00 0.00 23.12 20.25 2h96 s ALA 193 CO 0.24 -0.56 1.72 -1.35 0.00 0.00 0.00 175.76 175.81 2h96 h PRO 194 N 0.91 0.42 -1.12 0.00 0.11 -1.94 -0.09 132.00 130.30 2h96 h PRO 194 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2h96 h PRO 194 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2h96 h PRO 194 CO 0.58 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.81 2h96 n GLU 195 N -5.01 0.55 0.00 1.05 0.00 -1.26 -0.25 120.64 115.72 2h96 n GLU 195 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.33 2h96 n GLU 195 Cb 0.49 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.69 2h96 n GLU 195 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2h96 n VAL 196 N 0.54 0.00 -0.32 3.84 0.31 -0.10 -2.62 118.33 119.99 2h96 n VAL 196 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2h96 n VAL 196 Cb 0.22 -0.36 0.10 0.00 -0.91 0.00 0.00 33.84 32.89 2h96 n VAL 196 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2h96 h ILE 197 N 0.00 1.18 -0.53 2.52 2.04 -0.48 -2.14 117.51 120.10 2h96 h ILE 197 Ca 0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2h96 h ILE 197 Cb 0.28 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2h96 h ILE 197 CO 0.00 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.54 2h96 n LEU 198 N -4.51 4.60 -3.92 1.44 4.77 0.66 -4.99 117.00 115.04 2h96 n LEU 198 Ca 0.10 -2.60 -0.35 0.00 -0.03 0.00 0.00 56.01 53.13 2h96 n LEU 198 Cb 0.05 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.59 2h96 n LEU 198 CO 0.35 0.75 -0.19 0.61 -1.33 0.00 0.00 177.39 177.57 2h96 n GLY 199 N 0.66 -1.08 1.30 -0.72 0.00 -0.81 -4.82 105.19 99.71 2h96 n GLY 199 Ca 0.24 0.47 0.09 0.00 0.00 0.00 0.00 46.02 46.82 2h96 n GLY 199 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2h96 n MET 200 N -3.83 3.41 -0.72 1.61 2.81 -1.08 -4.37 117.12 114.95 2h96 n MET 200 Ca -0.21 -2.72 0.00 0.00 -1.81 0.00 0.00 57.70 52.96 2h96 n MET 200 Cb 0.63 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 2h96 n MET 200 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2h96 n GLY 201 N 0.81 -3.56 3.30 3.03 0.00 -1.25 -4.77 105.19 102.74 2h96 n GLY 201 Ca 0.22 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2h96 n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2h96 s TYR 202 N -3.63 0.79 0.00 1.61 -0.85 -1.11 -4.89 117.35 109.26 2h96 s TYR 202 Ca 0.00 -1.09 0.00 0.00 -0.52 0.00 0.00 57.07 55.46 2h96 s TYR 202 Cb 0.00 -0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.05 2h96 s TYR 202 CO 0.00 -0.70 0.00 1.63 -1.52 0.00 0.00 175.55 174.96 2h96 n LYS 203 N -0.25 2.85 0.10 -3.49 5.02 -1.26 -3.59 118.16 117.55 2h96 n LYS 203 Ca -0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.24 2h96 n LYS 203 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.65 2h96 n LYS 203 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2h96 h GLU 204 N 0.00 0.00 -0.46 1.97 4.11 -1.95 -3.22 114.58 115.03 2h96 h GLU 204 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2h96 h GLU 204 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2h96 h GLU 204 CO 0.00 0.79 0.00 0.27 0.07 0.00 0.00 179.01 180.14 2h96 n ASN 205 N -3.45 0.46 0.00 3.06 6.94 -1.26 -2.04 115.26 118.97 2h96 n ASN 205 Ca 0.00 -1.10 -0.08 0.00 -0.02 0.00 0.00 54.58 53.37 2h96 n ASN 205 Cb 0.80 -0.23 -0.13 0.00 -2.36 0.00 0.00 39.78 37.86 2h96 n ASN 205 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 2h96 h VAL 206 N 0.00 1.10 0.00 3.53 3.04 -1.95 -3.27 116.25 118.69 2h96 h VAL 206 Ca 0.00 -2.91 -0.03 0.00 -1.01 0.00 0.00 66.70 62.75 2h96 h VAL 206 Cb 0.23 2.55 -0.00 0.00 -2.01 0.00 0.00 31.29 32.05 2h96 h VAL 206 CO 0.00 0.63 -0.16 0.44 -1.01 0.00 0.00 177.57 177.48 2h96 h ASP 207 N 0.00 0.00 1.01 3.17 3.32 -1.68 -2.72 116.42 119.52 2h96 h ASP 207 Ca -0.21 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 2h96 h ASP 207 Cb 1.94 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.49 2h96 h ASP 207 CO 0.10 0.16 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.61 2h96 h LEU 208 N 0.00 0.00 -0.32 1.55 4.07 -1.76 -1.68 115.31 117.17 2h96 h LEU 208 Ca -0.00 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.83 2h96 h LEU 208 Cb 0.45 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2h96 h LEU 208 CO 0.02 0.09 -0.31 -0.25 -1.08 0.00 0.00 178.44 176.91 2h96 h TRP 209 N 0.00 0.94 -0.47 1.13 2.91 -1.65 -0.48 115.95 118.33 2h96 h TRP 209 Ca -0.00 -0.28 -0.08 0.00 1.13 0.00 0.00 58.89 59.66 2h96 h TRP 209 Cb 0.62 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 29.05 2h96 h TRP 209 CO 0.00 1.05 -0.05 0.77 -1.03 0.00 0.00 178.44 179.18 2h96 h SER 210 N 0.55 0.78 -0.48 2.65 0.02 -1.58 0.51 113.55 116.00 2h96 h SER 210 Ca 0.05 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 2h96 h SER 210 Cb 0.89 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 2h96 h SER 210 CO 0.08 0.88 0.14 0.58 -1.14 0.00 0.00 176.83 177.37 2h96 h VAL 211 N 0.74 1.23 -0.81 2.27 2.07 -1.11 0.14 116.25 120.77 2h96 h VAL 211 Ca 0.13 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2h96 h VAL 211 Cb 0.52 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2h96 h VAL 211 CO 0.03 0.28 0.45 1.23 0.02 0.00 0.00 177.57 179.58 2h96 h GLY 212 N 0.65 1.20 1.83 2.17 0.00 -0.43 0.21 103.07 108.69 2h96 h GLY 212 Ca 0.15 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2h96 h GLY 212 CO -0.00 0.51 -0.14 0.00 0.00 0.00 0.00 176.54 176.91 2h96 h ILE 214 N 0.21 1.65 -0.03 0.00 2.04 0.19 -2.76 117.51 118.81 2h96 h ILE 214 Ca 0.04 -2.37 0.01 0.00 1.00 0.00 0.00 64.86 63.55 2h96 h ILE 214 Cb 0.37 3.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.70 2h96 h ILE 214 CO 0.02 0.60 0.04 -0.03 0.00 0.00 0.00 178.15 178.78 2h96 h MET 215 N -0.88 0.00 0.00 2.37 4.05 -0.52 0.33 114.93 120.27 2h96 h MET 215 Ca -0.06 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.24 2h96 h MET 215 Cb 1.15 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.93 2h96 h MET 215 CO 0.01 0.00 -0.76 0.78 0.23 0.00 0.00 176.91 177.17 2h96 h GLY 216 N 0.00 0.00 1.30 1.39 0.00 -0.94 -2.99 103.07 101.83 2h96 h GLY 216 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 2h96 h GLY 216 CO -0.00 0.00 -1.11 -2.09 0.00 0.00 0.00 176.54 173.34 2h96 h GLU 217 N 0.00 0.00 -0.17 4.80 4.81 -0.56 -2.75 114.58 120.70 2h96 h GLU 217 Ca -0.04 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 2h96 h GLU 217 Cb 1.44 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 2h96 h GLU 217 CO 0.06 0.34 -0.47 0.52 -0.73 0.00 0.00 179.01 178.73 2h96 h MET 218 N 0.00 0.45 0.00 1.92 2.86 -0.51 0.34 114.93 119.99 2h96 h MET 218 Ca -0.10 -0.25 -0.11 0.00 -2.06 0.00 0.00 59.70 57.18 2h96 h MET 218 Cb 1.49 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 2h96 h MET 218 CO 0.05 0.82 -0.60 0.28 1.06 0.00 0.00 176.91 178.52 2h96 h VAL 219 N 0.36 0.81 0.00 -2.22 2.07 -1.56 -3.35 116.25 112.36 2h96 h VAL 219 Ca 0.02 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.36 2h96 h VAL 219 Cb 0.96 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2h96 h VAL 219 CO 0.08 0.46 -1.71 0.00 0.02 0.00 0.00 177.57 176.43 2h96 n HIS 221 N -2.04 0.00 -3.99 0.00 -0.00 0.12 -4.96 115.22 104.36 2h96 n HIS 221 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.60 2h96 n HIS 221 Cb 0.40 -1.82 -0.10 0.00 -0.00 0.00 0.00 29.99 28.47 2h96 n HIS 221 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2h96 s LYS 222 N -2.29 0.49 0.19 -0.41 1.02 -1.22 -4.98 119.74 112.53 2h96 s LYS 222 Ca 0.00 -0.81 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 2h96 s LYS 222 Cb 0.00 0.18 -0.09 0.00 -0.52 0.00 0.00 37.83 37.39 2h96 s LYS 222 CO 0.00 -0.10 1.45 0.42 -0.92 0.00 0.00 175.35 176.20 2h96 s ILE 223 N -2.47 2.85 0.17 2.17 1.01 -1.26 -4.26 121.20 119.40 2h96 s ILE 223 Ca -0.06 0.65 -0.13 0.00 0.00 0.00 0.00 60.65 61.11 2h96 s ILE 223 Cb -0.02 -3.42 0.06 0.00 0.01 0.00 0.00 42.46 39.09 2h96 s ILE 223 CO -0.04 0.07 1.76 0.25 0.00 0.00 0.00 174.94 176.98 2h96 h LEU 224 N 6.01 0.72 -6.86 2.97 5.85 -1.87 -3.38 115.31 118.75 2h96 h LEU 224 Ca -0.44 -0.12 -0.58 0.00 0.84 0.00 0.00 57.88 57.58 2h96 h LEU 224 Cb 1.21 -0.19 -0.40 0.00 0.37 0.00 0.00 40.66 41.66 2h96 h LEU 224 CO 0.84 0.64 -0.79 -0.36 -0.34 0.00 0.00 178.44 178.44 2h96 s PHE 225 N -5.73 1.23 0.00 1.25 0.08 -1.26 -5.01 117.98 108.54 2h96 s PHE 225 Ca -0.13 -1.75 0.00 0.00 0.12 0.00 0.00 56.93 55.17 2h96 s PHE 225 Cb 0.12 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 2h96 s PHE 225 CO 0.77 -0.83 0.00 -2.30 -0.10 0.00 0.00 175.22 172.77 2h96 n PRO 226 N 4.27 0.00 -0.36 0.24 -0.02 -1.26 -4.66 135.00 133.22 2h96 n PRO 226 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2h96 n PRO 226 Cb 0.38 -0.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.78 2h96 n PRO 226 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h96 n GLY 227 N 0.00 -0.54 0.04 -1.23 0.00 -1.26 -4.61 105.19 97.59 2h96 n GLY 227 Ca 0.00 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.29 2h96 n GLY 227 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h96 n ARG 228 N 1.89 0.08 -3.70 1.61 5.12 -1.26 -4.85 116.66 115.56 2h96 n ARG 228 Ca 0.00 0.11 0.01 0.00 -1.93 0.00 0.00 57.85 56.03 2h96 n ARG 228 Cb 0.00 -1.60 -0.00 0.00 -1.16 0.00 0.00 32.46 29.69 2h96 n ARG 228 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2h96 s ASP 229 N -3.49 -0.06 0.38 0.55 1.47 -1.26 -4.98 116.67 109.27 2h96 s ASP 229 Ca 0.12 -0.21 0.20 0.00 1.18 0.00 0.00 52.55 53.84 2h96 s ASP 229 Cb 0.16 0.22 1.22 0.00 -0.34 0.00 0.00 42.92 44.18 2h96 s ASP 229 CO 0.52 -0.42 1.65 0.22 0.68 0.00 0.00 175.17 177.82 2h96 h TYR 230 N 2.00 0.78 0.05 2.11 3.20 -2.00 -1.32 116.97 121.79 2h96 h TYR 230 Ca -0.29 0.03 -0.32 0.00 3.14 0.00 0.00 58.73 61.30 2h96 h TYR 230 Cb 1.21 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 2h96 h TYR 230 CO 0.52 -0.20 -1.79 0.82 -1.64 0.00 0.00 178.16 175.87 2h96 h ILE 231 N 0.23 0.79 0.00 1.81 2.04 -1.97 -3.34 117.51 117.07 2h96 h ILE 231 Ca 0.76 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 64.02 2h96 h ILE 231 Cb 1.98 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 40.52 2h96 h ILE 231 CO -0.55 0.64 0.00 -0.67 0.00 0.00 0.00 178.15 177.57 2h96 n ASP 232 N -3.21 0.32 -0.25 1.72 2.03 -0.57 -2.42 116.55 114.19 2h96 n ASP 232 Ca -0.22 0.58 0.01 0.00 0.52 0.00 0.00 54.79 55.68 2h96 n ASP 232 Cb 1.05 -0.65 0.23 0.00 -0.72 0.00 0.00 41.12 41.03 2h96 n ASP 232 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2h96 h GLN 233 N 0.00 1.03 -0.14 -0.67 5.75 -1.50 -2.43 115.11 117.16 2h96 h GLN 233 Ca 0.00 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 2h96 h GLN 233 Cb 0.31 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 2h96 h GLN 233 CO 0.00 0.68 -0.17 2.35 -2.65 0.00 0.00 178.83 179.04 2h96 h TRP 234 N 1.06 0.44 0.00 3.99 2.91 -1.72 -2.59 115.95 120.04 2h96 h TRP 234 Ca 0.30 -0.14 0.00 0.00 1.13 0.00 0.00 58.89 60.18 2h96 h TRP 234 Cb -0.09 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.48 2h96 h TRP 234 CO -0.00 0.78 0.10 0.09 -1.03 0.00 0.00 178.44 178.38 2h96 n ASN 235 N -4.53 0.38 -0.03 2.65 3.02 -0.95 -0.72 115.26 115.07 2h96 n ASN 235 Ca -0.06 0.63 -0.17 0.00 -0.03 0.00 0.00 54.58 54.95 2h96 n ASN 235 Cb 0.39 -0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 38.76 2h96 n ASN 235 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2h96 n LYS 236 N -2.02 0.70 -0.07 3.52 4.76 -0.96 -3.72 118.16 120.37 2h96 n LYS 236 Ca -0.01 0.23 -0.14 0.00 -2.87 0.00 0.00 58.31 55.51 2h96 n LYS 236 Cb 0.12 -1.68 -0.06 0.00 -1.84 0.00 0.00 35.03 31.58 2h96 n LYS 236 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2h96 h VAL 237 N 0.04 1.32 0.00 -0.18 2.07 -0.56 -2.97 116.25 115.97 2h96 h VAL 237 Ca -0.43 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.50 2h96 h VAL 237 Cb 2.03 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 2h96 h VAL 237 CO 0.05 0.50 0.00 0.16 0.02 0.00 0.00 177.57 178.30 2h96 h ILE 238 N 0.36 0.00 0.00 4.57 3.07 -1.30 0.29 117.51 124.49 2h96 h ILE 238 Ca 0.02 -0.38 -0.08 0.00 1.55 0.00 0.00 64.86 65.97 2h96 h ILE 238 Cb 0.97 1.24 -0.01 0.00 -0.27 0.00 0.00 36.82 38.75 2h96 h ILE 238 CO 0.09 0.00 -0.90 -0.08 -1.05 0.00 0.00 178.15 176.21 2h96 h GLU 239 N 0.00 0.00 0.00 0.16 4.81 -1.63 0.68 114.58 118.61 2h96 h GLU 239 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2h96 h GLU 239 Cb 0.55 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 2h96 h GLU 239 CO 0.00 0.20 -1.91 1.04 -0.73 0.00 0.00 179.01 177.61 2h96 n GLN 240 N -2.92 0.59 0.05 1.92 1.13 -0.98 -4.37 117.38 112.79 2h96 n GLN 240 Ca -0.02 0.41 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 2h96 n GLN 240 Cb 0.68 -1.62 -0.06 0.00 0.11 0.00 0.00 30.24 29.35 2h96 n GLN 240 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2h96 h LEU 241 N -0.93 0.00 0.00 1.08 3.38 -0.61 0.06 115.31 118.30 2h96 h LEU 241 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2h96 h LEU 241 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2h96 h LEU 241 CO -0.29 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.43 2h96 n GLY 242 N 1.36 2.24 3.72 0.83 0.00 0.23 -4.57 105.19 109.01 2h96 n GLY 242 Ca -0.07 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 2h96 n GLY 242 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h96 s THR 243 N -2.65 2.38 0.80 2.61 2.01 0.10 -4.61 115.64 116.28 2h96 s THR 243 Ca 0.00 0.28 -0.11 0.00 0.31 0.00 0.00 61.69 62.17 2h96 s THR 243 Cb 0.00 -3.18 0.07 0.00 0.01 0.00 0.00 72.50 69.40 2h96 s THR 243 CO 0.00 0.03 1.09 -2.16 -0.69 0.00 0.00 174.62 172.88 2h96 s PRO 244 N 0.81 2.06 0.54 4.92 0.04 -1.26 -4.89 135.00 137.22 2h96 s PRO 244 Ca 0.70 0.94 -0.18 0.00 0.04 0.00 0.00 61.00 62.49 2h96 s PRO 244 Cb -0.46 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 2h96 s PRO 244 CO 0.35 -1.72 1.07 0.00 0.04 0.00 0.00 177.00 176.74 2h96 h PRO 246 N 1.06 0.00 -0.33 0.00 0.11 -1.99 0.50 132.00 131.36 2h96 h PRO 246 Ca -0.49 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.65 2h96 h PRO 246 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2h96 h PRO 246 CO 0.58 0.00 0.22 1.49 -0.21 0.00 0.00 178.00 180.08 2h96 h GLU 247 N 0.00 0.34 0.17 1.05 4.81 -2.00 -1.49 114.58 117.47 2h96 h GLU 247 Ca 0.39 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2h96 h GLU 247 Cb 1.64 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.94 2h96 h GLU 247 CO -0.00 0.23 -0.08 0.35 -0.73 0.00 0.00 179.01 178.77 2h96 h PHE 248 N 0.35 -0.22 -1.14 0.92 3.57 -0.34 -3.30 116.94 116.78 2h96 h PHE 248 Ca 0.13 -0.01 0.32 0.00 3.53 0.00 0.00 57.97 61.95 2h96 h PHE 248 Cb 0.10 0.07 -0.10 0.00 2.79 0.00 0.00 35.95 38.81 2h96 h PHE 248 CO -0.00 0.10 0.74 0.52 -2.23 0.00 0.00 178.31 177.44 2h96 h MET 249 N -0.99 0.26 0.00 1.11 2.86 -1.24 0.34 114.93 117.28 2h96 h MET 249 Ca -0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2h96 h MET 249 Cb 0.41 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2h96 h MET 249 CO 0.04 0.17 0.00 0.87 1.06 0.00 0.00 176.91 179.05 2h96 h LYS 250 N 0.27 0.00 -0.01 1.72 1.57 -1.36 -2.22 116.57 116.55 2h96 h LYS 250 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 2h96 h LYS 250 Cb 1.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.19 2h96 h LYS 250 CO -0.30 0.00 -0.04 1.63 -0.57 0.00 0.00 179.45 180.17 2h96 n LYS 251 N -3.06 1.17 -3.08 3.15 5.02 0.12 -4.86 118.16 116.61 2h96 n LYS 251 Ca 0.00 -0.45 -0.35 0.00 -2.02 0.00 0.00 58.31 55.49 2h96 n LYS 251 Cb 0.27 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 2h96 n LYS 251 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h96 s LEU 252 N -2.14 4.26 0.78 -0.35 1.43 -0.84 -5.00 118.68 116.82 2h96 s LEU 252 Ca 0.38 1.41 -0.14 0.00 -1.03 0.00 0.00 54.13 54.75 2h96 s LEU 252 Cb 0.21 -3.75 0.06 0.00 0.03 0.00 0.00 46.19 42.73 2h96 s LEU 252 CO 0.39 -0.04 1.16 0.00 0.23 0.00 0.00 176.35 178.09 2h96 n GLN 253 N 0.41 0.35 -0.17 1.70 6.02 -1.26 -4.62 117.38 119.82 2h96 n GLN 253 Ca -0.00 0.19 -0.05 0.00 -0.01 0.00 0.00 57.00 57.12 2h96 n GLN 253 Cb 0.52 -2.40 0.01 0.00 1.02 0.00 0.00 30.24 29.38 2h96 n GLN 253 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2h96 h PRO 254 N -0.62 -0.16 -0.44 -1.09 0.11 -1.96 0.14 132.00 127.98 2h96 h PRO 254 Ca -0.47 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 2h96 h PRO 254 Cb 1.31 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 2h96 h PRO 254 CO 0.47 -0.11 -0.12 0.00 -0.21 0.00 0.00 178.00 178.03 2h96 h THR 255 N -0.16 1.27 0.11 -1.15 1.03 -2.01 -2.48 112.91 109.52 2h96 h THR 255 Ca 0.22 -1.25 -0.01 0.00 -0.01 0.00 0.00 66.41 65.37 2h96 h THR 255 Cb 0.52 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 2h96 h THR 255 CO -0.61 0.42 -0.05 0.58 -0.01 0.00 0.00 175.52 175.85 2h96 h VAL 256 N 0.70 1.10 -0.98 0.00 2.07 -1.87 -3.21 116.25 114.06 2h96 h VAL 256 Ca 0.11 -1.10 0.24 0.00 0.82 0.00 0.00 66.70 66.77 2h96 h VAL 256 Cb 0.67 1.76 -0.18 0.00 -1.52 0.00 0.00 31.29 32.01 2h96 h VAL 256 CO 0.05 0.25 -0.09 -0.09 0.02 0.00 0.00 177.57 177.71 2h96 h ARG 257 N -0.69 0.01 -0.77 1.57 2.43 -0.76 0.42 114.38 116.58 2h96 h ARG 257 Ca -0.02 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.26 2h96 h ARG 257 Cb 0.53 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.00 2h96 h ARG 257 CO 0.02 0.00 0.41 1.15 -1.51 0.00 0.00 179.97 180.05 2h96 h THR 258 N 0.01 0.85 0.26 0.20 2.02 -1.44 0.98 112.91 115.80 2h96 h THR 258 Ca 0.54 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.48 2h96 h THR 258 Cb 1.00 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2h96 h THR 258 CO -0.96 0.12 -0.13 0.22 0.37 0.00 0.00 175.52 175.15 2h96 h TYR 259 N 0.67 -0.33 -0.32 3.16 3.20 -0.27 -2.31 116.97 120.77 2h96 h TYR 259 Ca 0.38 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.32 2h96 h TYR 259 Cb 0.41 0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.71 2h96 h TYR 259 CO -0.09 -0.06 -0.20 0.28 -1.64 0.00 0.00 178.16 176.45 2h96 h VAL 260 N -0.58 0.44 0.00 1.81 2.07 -0.72 0.12 116.25 119.39 2h96 h VAL 260 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2h96 h VAL 260 Cb 0.42 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2h96 h VAL 260 CO 0.06 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.03 2h96 n GLU 261 N -5.36 0.14 0.04 1.57 1.02 0.29 -2.39 120.64 115.95 2h96 n GLU 261 Ca 0.01 0.44 0.12 0.00 -0.02 0.00 0.00 57.16 57.71 2h96 n GLU 261 Cb 0.28 -1.81 0.23 0.00 -0.02 0.00 0.00 31.44 30.11 2h96 n GLU 261 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2h96 n ASN 262 N -2.09 0.60 -4.51 1.62 3.02 0.37 -4.93 115.26 109.35 2h96 n ASN 262 Ca 0.02 0.06 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 2h96 n ASN 262 Cb 0.17 0.12 0.20 0.00 -0.61 0.00 0.00 39.78 39.66 2h96 n ASN 262 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2h96 s ARG 263 N -3.11 -0.12 0.56 3.52 1.81 -0.99 -4.98 118.95 115.64 2h96 s ARG 263 Ca 0.08 0.43 -0.17 0.00 -1.72 0.00 0.00 55.73 54.35 2h96 s ARG 263 Cb 0.15 -1.68 -0.05 0.00 -0.45 0.00 0.00 34.95 32.92 2h96 s ARG 263 CO 0.70 -3.08 1.07 -2.14 -0.68 0.00 0.00 175.30 171.17 2h96 s PRO 264 N -4.97 3.40 0.29 3.54 0.02 -1.26 -4.98 135.00 131.04 2h96 s PRO 264 Ca 0.67 1.33 -0.28 0.00 0.02 0.00 0.00 61.00 62.73 2h96 s PRO 264 Cb -0.18 -2.04 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 2h96 s PRO 264 CO 0.58 -0.76 1.03 0.15 -0.33 0.00 0.00 177.00 177.68 2h96 s LYS 265 N -3.71 4.63 -0.17 5.54 -0.14 -1.26 -4.95 119.74 119.67 2h96 s LYS 265 Ca 0.66 1.62 -0.00 0.00 -1.36 0.00 0.00 55.97 56.89 2h96 s LYS 265 Cb -0.18 -3.08 0.04 0.00 -1.68 0.00 0.00 37.83 32.94 2h96 s LYS 265 CO 0.31 0.25 -0.06 0.71 -0.76 0.00 0.00 175.35 175.81 2h96 s TYR 266 N -1.29 1.79 0.17 3.18 2.02 -1.26 -4.96 117.35 117.00 2h96 s TYR 266 Ca 0.46 -1.15 -0.16 0.00 -0.37 0.00 0.00 57.07 55.85 2h96 s TYR 266 Cb -0.27 -1.35 0.12 0.00 -0.40 0.00 0.00 41.96 40.06 2h96 s TYR 266 CO 0.35 -0.63 1.69 0.00 -1.57 0.00 0.00 175.55 175.38 2h96 h ALA 267 N 8.10 0.37 0.00 3.71 0.00 -1.91 0.29 119.26 129.82 2h96 h ALA 267 Ca -0.24 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2h96 h ALA 267 Cb 1.11 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2h96 h ALA 267 CO 0.41 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2h96 n GLY 268 N -1.29 -3.60 3.13 0.00 0.00 -1.26 -4.53 105.19 97.64 2h96 n GLY 268 Ca 0.03 -2.14 -0.18 0.00 0.00 0.00 0.00 46.02 43.73 2h96 n GLY 268 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2h96 s TYR 269 N -0.93 1.08 0.59 1.61 4.12 0.01 -4.88 117.35 118.95 2h96 s TYR 269 Ca 0.00 -0.41 -0.18 0.00 0.02 0.00 0.00 57.07 56.49 2h96 s TYR 269 Cb 0.00 -0.63 -0.04 0.00 -1.52 0.00 0.00 41.96 39.77 2h96 s TYR 269 CO 0.00 0.02 1.17 -1.54 0.02 0.00 0.00 175.55 175.23 2h96 s SER 270 N -1.42 5.30 0.00 2.29 1.04 -1.26 -4.76 113.70 114.89 2h96 s SER 270 Ca -0.02 2.29 0.15 0.00 0.48 0.00 0.00 55.95 58.85 2h96 s SER 270 Cb -0.09 -2.59 0.89 0.00 0.10 0.00 0.00 66.02 64.33 2h96 s SER 270 CO 0.01 -1.51 1.31 0.49 0.98 0.00 0.00 173.24 174.52 2h96 n PHE 271 N -1.62 0.00 -0.04 5.02 3.01 -1.26 -0.28 117.46 122.29 2h96 n PHE 271 Ca 0.13 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.38 2h96 n PHE 271 Cb 0.50 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.84 2h96 n PHE 271 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2h96 h GLU 272 N 0.00 0.14 0.76 -1.08 4.39 -1.89 -1.55 114.58 115.34 2h96 h GLU 272 Ca 0.00 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 2h96 h GLU 272 Cb 0.00 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2h96 h GLU 272 CO 0.00 1.11 -0.36 0.87 -1.16 0.00 0.00 179.01 179.47 2h96 h LYS 273 N -0.59 -0.98 -0.99 2.33 1.79 -1.57 1.01 116.57 117.58 2h96 h LYS 273 Ca -0.28 0.07 0.28 0.00 -2.18 0.00 0.00 60.65 58.54 2h96 h LYS 273 Cb 1.53 0.22 -0.04 0.00 -1.58 0.00 0.00 32.23 32.36 2h96 h LYS 273 CO -0.03 -0.64 0.70 -0.07 -1.08 0.00 0.00 179.45 178.33 2h96 h LEU 274 N -1.21 0.04 -5.75 2.94 3.38 -0.79 -3.20 115.31 110.72 2h96 h LEU 274 Ca -0.10 0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.41 2h96 h LEU 274 Cb 0.80 -0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.22 2h96 h LEU 274 CO 0.17 0.01 -0.97 0.49 0.09 0.00 0.00 178.44 178.23 2h96 n PHE 275 N -4.27 -0.99 -2.01 1.13 3.72 -0.58 -5.05 117.46 109.41 2h96 n PHE 275 Ca 0.21 -3.18 -0.41 0.00 -0.05 0.00 0.00 57.45 54.02 2h96 n PHE 275 Cb 1.03 0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 39.67 2h96 n PHE 275 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2h96 s PRO 276 N -0.96 4.27 0.06 -1.08 0.04 0.34 -4.60 135.00 133.07 2h96 s PRO 276 Ca 0.35 2.31 -0.11 0.00 0.04 0.00 0.00 61.00 63.59 2h96 s PRO 276 Cb 0.22 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 2h96 s PRO 276 CO -0.13 -0.38 0.63 -0.25 0.04 0.00 0.00 177.00 176.91 2h96 n ASP 277 N 1.84 -0.38 -0.14 6.66 8.00 -1.26 -1.44 116.55 129.83 2h96 n ASP 277 Ca 0.05 0.72 0.12 0.00 0.71 0.00 0.00 54.79 56.39 2h96 n ASP 277 Cb 0.40 -0.12 0.21 0.00 -0.02 0.00 0.00 41.12 41.59 2h96 n ASP 277 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2h96 n VAL 278 N -4.18 -0.08 0.01 2.53 0.31 -1.26 0.16 118.33 115.83 2h96 n VAL 278 Ca 0.01 0.55 -0.18 0.00 -0.01 0.00 0.00 64.34 64.70 2h96 n VAL 278 Cb 0.09 -0.90 -0.10 0.00 -0.91 0.00 0.00 33.84 32.03 2h96 n VAL 278 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2h96 h LEU 279 N 0.00 0.73-10.12 7.52 3.38 -1.57 -3.45 115.31 111.80 2h96 h LEU 279 Ca 0.27 -0.73 -0.51 0.00 0.09 0.00 0.00 57.88 57.00 2h96 h LEU 279 Cb 0.86 -0.22 0.09 0.00 0.09 0.00 0.00 40.66 41.48 2h96 h LEU 279 CO -0.14 1.36 0.43 -0.36 0.09 0.00 0.00 178.44 179.82 2h96 s PHE 280 N -3.36 2.56 1.29 1.13 0.08 0.44 -4.94 117.98 115.18 2h96 s PHE 280 Ca -0.12 1.54 -0.18 0.00 0.12 0.00 0.00 56.93 58.30 2h96 s PHE 280 Cb 0.06 -3.32 0.31 0.00 -0.57 0.00 0.00 43.02 39.49 2h96 s PHE 280 CO 0.87 -1.80 0.81 -2.30 -0.10 0.00 0.00 175.22 172.70 2h96 n PRO 281 N -1.67 -3.35 -1.62 0.24 -0.02 -1.26 -4.80 135.00 122.52 2h96 n PRO 281 Ca 0.12 -0.97 -0.38 0.00 -2.02 0.00 0.00 63.50 60.25 2h96 n PRO 281 Cb 0.51 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 2h96 n PRO 281 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2h96 s ALA 282 N -2.25 1.95 -0.06 3.55 0.00 -1.26 -4.82 121.76 118.87 2h96 s ALA 282 Ca 0.65 0.15 -0.34 0.00 0.00 0.00 0.00 51.96 52.42 2h96 s ALA 282 Cb -0.18 -4.27 -0.12 0.00 0.00 0.00 0.00 23.12 18.54 2h96 s ALA 282 CO 0.61 -4.00 1.83 -0.25 0.00 0.00 0.00 175.76 173.95 2h96 n ASP 283 N 14.59 3.36 0.00 0.00 10.43 -1.26 -4.84 116.55 138.83 2h96 n ASP 283 Ca 0.34 0.99 0.00 0.00 2.57 0.00 0.00 54.79 58.69 2h96 n ASP 283 Cb 0.52 -1.37 0.00 0.00 1.84 0.00 0.00 41.12 42.11 2h96 n ASP 283 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2h96 n SER 284 N 6.12 0.00 0.00 -2.24 7.64 -1.26 -5.00 113.62 118.89 2h96 n SER 284 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2h96 n SER 284 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2h96 n SER 284 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2h96 n GLU 285 N 0.00 0.00 -0.71 1.43 0.00 -1.26 -5.14 120.64 114.96 2h96 n GLU 285 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.87 2h96 n GLU 285 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 31.44 31.69 2h96 n GLU 285 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2h96 s HIS 286 N -0.33 0.91 -0.65 -1.84 -3.43 -1.26 -4.93 115.29 103.76 2h96 s HIS 286 Ca 0.00 0.88 0.25 0.00 -0.80 0.00 0.00 55.06 55.39 2h96 s HIS 286 Cb 0.00 -3.13 0.63 0.00 -1.43 0.00 0.00 32.58 28.65 2h96 s HIS 286 CO 0.00 -3.98 1.66 -2.95 -2.00 0.00 0.00 174.74 167.47 2h96 h ASN 287 N -2.69 0.00 0.00 7.38 -1.07 -2.04 -3.43 115.58 113.73 2h96 h ASN 287 Ca -0.54 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 55.80 2h96 h ASN 287 Cb 1.33 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.58 2h96 h ASN 287 CO 0.45 0.01 0.00 0.29 0.07 0.00 0.00 177.43 178.25 2h96 n LYS 288 N -2.43 0.00 -3.34 4.14 5.02 -1.26 -4.82 118.16 115.48 2h96 n LYS 288 Ca 0.05 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.93 2h96 n LYS 288 Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.38 2h96 n LYS 288 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h96 s LEU 289 N 0.00 4.36 0.34 -0.35 1.43 -1.26 -4.77 118.68 118.43 2h96 s LEU 289 Ca 0.00 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2h96 s LEU 289 Cb 0.00 -2.45 -0.07 0.00 0.03 0.00 0.00 46.19 43.71 2h96 s LEU 289 CO 0.00 -0.38 0.03 -0.54 0.23 0.00 0.00 176.35 175.70 2h96 s LYS 290 N 2.17 1.73 -0.01 1.70 1.02 -1.26 -4.17 119.74 120.91 2h96 s LYS 290 Ca 0.15 -1.95 -0.22 0.00 0.02 0.00 0.00 55.97 53.96 2h96 s LYS 290 Cb -0.16 -1.11 -0.21 0.00 -0.52 0.00 0.00 37.83 35.83 2h96 s LYS 290 CO 0.12 -0.12 1.14 0.00 -0.92 0.00 0.00 175.35 175.56 2h96 h ALA 291 N 2.04 0.09 -0.94 5.17 0.00 -1.96 -2.79 119.26 120.87 2h96 h ALA 291 Ca -0.42 -0.44 0.27 0.00 0.00 0.00 0.00 54.91 54.33 2h96 h ALA 291 Cb 1.24 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2h96 h ALA 291 CO 0.72 0.12 0.71 0.66 0.00 0.00 0.00 179.25 181.46 2h96 h SER 292 N -0.29 0.00 0.06 0.00 4.64 -1.98 0.32 113.55 116.29 2h96 h SER 292 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2h96 h SER 292 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2h96 h SER 292 CO 0.06 0.00 -0.03 1.56 -0.87 0.00 0.00 176.83 177.55 2h96 h GLN 293 N 0.00 -0.08 -0.61 4.77 4.20 -1.94 -2.31 115.11 119.14 2h96 h GLN 293 Ca 0.45 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.29 2h96 h GLN 293 Cb 1.85 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 29.54 2h96 h GLN 293 CO -0.00 0.12 -0.11 0.00 -0.67 0.00 0.00 178.83 178.17 2h96 h ALA 294 N -0.82 0.46 -0.27 3.87 0.00 -1.03 0.34 119.26 121.80 2h96 h ALA 294 Ca -0.01 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2h96 h ALA 294 Cb 0.23 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2h96 h ALA 294 CO 0.01 -0.42 -0.11 -0.09 0.00 0.00 0.00 179.25 178.64 2h96 h ARG 295 N 0.03 -0.06 -0.93 0.00 2.43 -0.52 0.27 114.38 115.60 2h96 h ARG 295 Ca 0.30 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.56 2h96 h ARG 295 Cb 0.47 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 2h96 h ARG 295 CO -0.60 -0.04 0.58 0.22 -1.51 0.00 0.00 179.97 178.62 2h96 h ASP 296 N -0.06 0.88 -0.68 -3.80 3.58 0.02 0.11 116.42 116.47 2h96 h ASP 296 Ca 0.14 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2h96 h ASP 296 Cb 0.27 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2h96 h ASP 296 CO -0.31 0.52 0.43 0.25 -2.88 0.00 0.00 179.24 177.25 2h96 h LEU 297 N 0.99 0.81 0.55 2.28 5.85 0.13 -2.40 115.31 123.52 2h96 h LEU 297 Ca 0.43 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 2h96 h LEU 297 Cb 0.30 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.13 2h96 h LEU 297 CO -0.22 0.62 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.17 2h96 h LEU 298 N 0.95 -0.62 -1.10 2.25 3.38 0.10 -2.65 115.31 117.61 2h96 h LEU 298 Ca 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2h96 h LEU 298 Cb -0.06 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2h96 h LEU 298 CO -0.05 -0.30 0.48 0.77 0.09 0.00 0.00 178.44 179.43 2h96 h SER 299 N -0.97 0.00 0.22 -0.43 4.64 -0.66 0.10 113.55 116.45 2h96 h SER 299 Ca -0.08 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.91 2h96 h SER 299 Cb 0.63 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.67 2h96 h SER 299 CO 0.12 0.00 -2.07 0.29 -0.87 0.00 0.00 176.83 174.30 2h96 n LYS 300 N -2.44 0.67 -0.04 4.77 5.02 -0.94 -4.49 118.16 120.70 2h96 n LYS 300 Ca -0.01 0.17 -0.19 0.00 -2.02 0.00 0.00 58.31 56.25 2h96 n LYS 300 Cb 0.50 -1.66 -0.13 0.00 -0.02 0.00 0.00 35.03 33.73 2h96 n LYS 300 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2h96 h MET 301 N 0.01 0.12 -4.34 1.97 2.86 -0.55 -3.21 114.93 111.79 2h96 h MET 301 Ca -0.43 -0.20 -0.65 0.00 -2.06 0.00 0.00 59.70 56.36 2h96 h MET 301 Cb 2.09 0.08 0.03 0.00 0.06 0.00 0.00 31.60 33.86 2h96 h MET 301 CO 0.05 1.10 2.46 1.28 1.06 0.00 0.00 176.91 182.85 2h96 n LEU 302 N -4.26 4.59 -4.00 1.22 4.77 -0.05 -4.50 117.00 114.77 2h96 n LEU 302 Ca -0.22 -3.09 -0.23 0.00 -0.03 0.00 0.00 56.01 52.44 2h96 n LEU 302 Cb 0.72 -1.20 -0.16 0.00 -2.33 0.00 0.00 43.42 40.45 2h96 n LEU 302 CO 0.34 -0.07 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.18 2h96 s VAL 303 N 4.62 1.01 0.10 4.08 1.01 -1.26 -4.86 120.40 125.10 2h96 s VAL 303 Ca 0.55 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.92 2h96 s VAL 303 Cb 0.14 -0.94 -0.08 0.00 0.00 0.00 0.00 36.38 35.51 2h96 s VAL 303 CO 0.08 0.33 1.65 0.40 0.00 0.00 0.00 175.10 177.56 2h96 h ILE 304 N 5.95 1.15 -1.86 2.22 2.04 -1.97 -3.39 117.51 121.65 2h96 h ILE 304 Ca -0.32 -0.45 -0.54 0.00 1.00 0.00 0.00 64.86 64.54 2h96 h ILE 304 Cb 1.18 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 38.23 2h96 h ILE 304 CO 0.48 0.15 1.21 -0.62 0.00 0.00 0.00 178.15 179.36 2h96 s ASP 305 N -5.60 6.15 0.44 1.72 -1.08 -1.26 -4.72 116.67 112.32 2h96 s ASP 305 Ca -0.13 -0.71 0.35 0.00 -0.52 0.00 0.00 52.55 51.53 2h96 s ASP 305 Cb 0.08 -2.56 1.46 0.00 -1.46 0.00 0.00 42.92 40.43 2h96 s ASP 305 CO 0.71 -1.82 1.46 0.00 0.52 0.00 0.00 175.17 176.04 2h96 n ALA 306 N 9.71 1.41 0.13 3.66 0.00 -1.26 -0.02 120.51 134.13 2h96 n ALA 306 Ca 0.16 0.76 -0.14 0.00 0.00 0.00 0.00 53.44 54.22 2h96 n ALA 306 Cb 0.50 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 2h96 n ALA 306 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2h96 h SER 307 N 0.00 -0.21 0.00 0.00 0.02 -1.94 -2.39 113.55 109.02 2h96 h SER 307 Ca 0.84 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.76 2h96 h SER 307 Cb 2.89 0.06 0.00 0.00 0.14 0.00 0.00 62.40 65.48 2h96 h SER 307 CO -0.33 -0.12 0.00 0.29 -1.14 0.00 0.00 176.83 175.53 2h96 n LYS 308 N -5.18 0.95 0.00 3.45 5.02 0.97 -4.83 118.16 118.54 2h96 n LYS 308 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2h96 n LYS 308 Cb 0.14 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 2h96 n LYS 308 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2h96 n ARG 309 N -0.72 0.48 -5.22 1.97 0.63 -0.90 -5.02 116.66 107.87 2h96 n ARG 309 Ca 0.10 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.72 2h96 n ARG 309 Cb 0.05 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 32.79 2h96 n ARG 309 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2h96 s ILE 310 N -0.37 2.03 1.00 5.15 2.07 -1.21 -5.03 121.20 124.83 2h96 s ILE 310 Ca 0.00 -1.03 -0.12 0.00 -1.41 0.00 0.00 60.65 58.10 2h96 s ILE 310 Cb 0.00 -1.73 0.19 0.00 0.13 0.00 0.00 42.46 41.05 2h96 s ILE 310 CO 0.00 0.56 1.08 -0.94 -1.91 0.00 0.00 174.94 173.73 2h96 s SER 311 N 0.07 2.41 0.05 4.50 1.04 -1.26 -4.89 113.70 115.62 2h96 s SER 311 Ca -0.11 1.67 -0.26 0.00 0.48 0.00 0.00 55.95 57.74 2h96 s SER 311 Cb -0.16 -2.31 -0.17 0.00 0.10 0.00 0.00 66.02 63.48 2h96 s SER 311 CO 0.06 -3.34 1.54 0.58 0.98 0.00 0.00 173.24 173.06 2h96 h VAL 312 N -2.03 0.82 -0.85 5.02 2.07 -1.97 -2.89 116.25 116.43 2h96 h VAL 312 Ca -0.52 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 66.82 2h96 h VAL 312 Cb 1.30 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.98 2h96 h VAL 312 CO 0.50 0.06 0.49 0.44 0.02 0.00 0.00 177.57 179.08 2h96 h ASP 313 N -0.45 0.69 0.15 0.57 5.19 -1.95 0.67 116.42 121.28 2h96 h ASP 313 Ca -0.03 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 2h96 h ASP 313 Cb 0.34 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 2h96 h ASP 313 CO 0.05 0.38 -0.16 -0.33 -3.12 0.00 0.00 179.24 176.06 2h96 h GLU 314 N 0.80 0.04 -0.56 3.56 5.08 -1.92 -1.65 114.58 119.92 2h96 h GLU 314 Ca 0.42 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.69 2h96 h GLU 314 Cb 0.42 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2h96 h GLU 314 CO -0.26 0.20 0.02 0.00 -1.00 0.00 0.00 179.01 177.97 2h96 h ALA 315 N 1.80 0.75 0.00 3.43 0.00 -0.67 -1.51 119.26 123.07 2h96 h ALA 315 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2h96 h ALA 315 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2h96 h ALA 315 CO 0.02 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.11 2h96 n LEU 316 N -4.27 0.43 -0.99 0.00 4.77 -0.71 -2.16 117.00 114.06 2h96 n LEU 316 Ca 0.02 0.59 0.09 0.00 -0.03 0.00 0.00 56.01 56.68 2h96 n LEU 316 Cb 0.32 -0.51 0.22 0.00 -2.33 0.00 0.00 43.42 41.13 2h96 n LEU 316 CO 0.43 -0.35 0.69 0.00 -1.33 0.00 0.00 177.39 176.82 2h96 n GLN 317 N -1.95 2.63 -2.98 3.23 1.13 -0.66 -3.89 117.38 114.89 2h96 n GLN 317 Ca 0.04 -2.28 -0.40 0.00 -1.94 0.00 0.00 57.00 52.41 2h96 n GLN 317 Cb 0.26 -1.42 -0.05 0.00 0.11 0.00 0.00 30.24 29.13 2h96 n GLN 317 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2h96 s HIS 318 N -1.07 3.78 0.55 1.08 2.46 -0.68 -4.75 115.29 116.65 2h96 s HIS 318 Ca 0.35 1.51 0.46 0.00 0.47 0.00 0.00 55.06 57.85 2h96 s HIS 318 Cb 0.19 -2.81 1.68 0.00 -0.13 0.00 0.00 32.58 31.51 2h96 s HIS 318 CO 0.25 0.33 1.64 -1.00 -2.47 0.00 0.00 174.74 173.49 2h96 h PRO 319 N 5.35 0.00 0.00 2.88 0.13 -1.91 1.21 132.00 139.66 2h96 h PRO 319 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2h96 h PRO 319 Cb 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2h96 h PRO 319 CO 0.70 0.00 0.00 -0.92 -0.23 0.00 0.00 178.00 177.55 2h96 h TYR 320 N 0.00 0.00 0.00 1.56 3.20 -1.89 -3.35 116.97 116.49 2h96 h TYR 320 Ca 0.83 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.68 2h96 h TYR 320 Cb 3.32 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 41.58 2h96 h TYR 320 CO -0.00 0.00 -1.14 -0.89 -1.64 0.00 0.00 178.16 174.49 2h96 n ILE 321 N -2.86 0.08 -0.27 1.81 2.08 0.23 -4.75 119.36 115.67 2h96 n ILE 321 Ca 0.04 -0.08 0.09 0.00 0.56 0.00 0.00 62.75 63.36 2h96 n ILE 321 Cb 0.49 -0.25 0.23 0.00 -0.75 0.00 0.00 39.64 39.36 2h96 n ILE 321 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 2h96 h ASN 322 N 0.00 0.02 -0.37 4.38 -0.73 0.98 -3.10 115.58 116.77 2h96 h ASN 322 Ca -0.03 0.17 0.03 0.00 1.87 0.00 0.00 56.30 58.34 2h96 h ASN 322 Cb 0.63 0.22 -0.04 0.00 0.27 0.00 0.00 38.32 39.40 2h96 h ASN 322 CO 0.00 -0.08 -0.22 1.33 -0.37 0.00 0.00 177.43 178.09 2h96 n VAL 323 N -5.18 -0.25 0.88 2.57 0.24 -1.26 0.73 118.33 116.06 2h96 n VAL 323 Ca 0.17 1.32 0.04 0.00 -2.04 0.00 0.00 64.34 63.83 2h96 n VAL 323 Cb 0.56 -1.67 0.24 0.00 -1.47 0.00 0.00 33.84 31.49 2h96 n VAL 323 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 2h96 n TRP 324 N -3.87 0.00 -1.59 6.34 5.03 -1.17 -4.89 117.44 117.29 2h96 n TRP 324 Ca 0.01 0.00 -0.51 0.00 3.03 0.00 0.00 57.50 60.02 2h96 n TRP 324 Cb 0.10 0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.32 2h96 n TRP 324 CO 0.00 0.00 0.00 0.98 -0.03 0.00 0.00 177.69 178.64 2h96 n TYR 325 N -0.78 1.48 -3.25 -5.99 9.36 0.22 -4.98 117.16 113.23 2h96 n TYR 325 Ca 0.06 0.64 -0.03 0.00 3.32 0.00 0.00 57.90 61.89 2h96 n TYR 325 Cb 0.03 -2.32 -0.04 0.00 -0.63 0.00 0.00 39.34 36.37 2h96 n TYR 325 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2h96 s ASP 326 N 0.39 -0.49 0.61 2.98 -1.08 -1.26 -5.04 116.67 112.78 2h96 s ASP 326 Ca 0.82 0.13 0.25 0.00 -0.52 0.00 0.00 52.55 53.24 2h96 s ASP 326 Cb -0.93 1.55 1.09 0.00 -1.46 0.00 0.00 42.92 43.17 2h96 s ASP 326 CO 0.48 -0.31 1.53 -0.65 0.52 0.00 0.00 175.17 176.74 2h96 h PRO 327 N 8.09 0.00 0.00 4.34 0.11 -1.93 0.30 132.00 142.91 2h96 h PRO 327 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2h96 h PRO 327 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2h96 h PRO 327 CO 0.24 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.90 2h96 n SER 328 N -3.29 0.00 0.00 -2.05 3.41 -1.26 -2.34 113.62 108.09 2h96 n SER 328 Ca 0.14 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 2h96 n SER 328 Cb 1.08 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 2h96 n SER 328 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2h96 n GLU 329 N -1.07 1.52 -0.17 4.33 0.28 -0.18 -4.51 120.64 120.83 2h96 n GLU 329 Ca 0.17 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.26 2h96 n GLU 329 Cb 0.11 -0.34 0.27 0.00 1.43 0.00 0.00 31.44 32.91 2h96 n GLU 329 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2h96 n ALA 330 N -0.31 2.46 -2.56 -1.84 0.00 0.89 -4.33 120.51 114.82 2h96 n ALA 330 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 53.44 52.69 2h96 n ALA 330 Cb 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 2h96 n ALA 330 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2h96 n GLU 331 N 0.78 0.06 -2.62 0.00 0.28 -0.99 -4.83 120.64 113.32 2h96 n GLU 331 Ca 0.16 -0.22 -0.24 0.00 -0.16 0.00 0.00 57.16 56.70 2h96 n GLU 331 Cb 0.41 0.01 0.03 0.00 1.43 0.00 0.00 31.44 33.32 2h96 n GLU 331 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2h96 s ALA 332 N 0.01 3.60 -0.10 -1.84 0.00 -1.10 -4.79 121.76 117.54 2h96 s ALA 332 Ca 0.01 -1.03 -0.40 0.00 0.00 0.00 0.00 51.96 50.53 2h96 s ALA 332 Cb 0.02 -2.30 -0.18 0.00 0.00 0.00 0.00 23.12 20.65 2h96 s ALA 332 CO -0.01 -0.73 1.35 -0.35 0.00 0.00 0.00 175.76 176.03 2h96 n PRO 333 N -2.41 0.54 -2.20 0.00 -0.04 -1.26 -4.97 135.00 124.66 2h96 n PRO 333 Ca 0.05 0.20 -0.35 0.00 -0.04 0.00 0.00 63.50 63.36 2h96 n PRO 333 Cb 0.59 -1.77 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 2h96 n PRO 333 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2h96 s PRO 334 N 1.21 3.31 -0.03 0.54 0.04 -1.26 -4.97 135.00 133.84 2h96 s PRO 334 Ca 0.92 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 2h96 s PRO 334 Cb -1.18 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 2h96 s PRO 334 CO 0.59 -0.87 1.57 -1.25 0.04 0.00 0.00 177.00 177.08 2h96 s PRO 335 N -3.42 4.21 -0.63 0.56 0.04 -1.26 -4.96 135.00 129.55 2h96 s PRO 335 Ca 0.71 2.12 -0.28 0.00 0.04 0.00 0.00 61.00 63.60 2h96 s PRO 335 Cb -0.23 -3.80 0.03 0.00 0.04 0.00 0.00 34.50 30.54 2h96 s PRO 335 CO 0.29 -0.75 1.27 0.15 0.04 0.00 0.00 177.00 177.99 2h96 s LYS 336 N 3.37 3.37 -0.17 4.56 -0.14 -1.26 -4.81 119.74 124.66 2h96 s LYS 336 Ca 0.70 0.14 -0.17 0.00 -1.36 0.00 0.00 55.97 55.29 2h96 s LYS 336 Cb -0.33 -4.09 -0.04 0.00 -1.68 0.00 0.00 37.83 31.69 2h96 s LYS 336 CO 0.28 -1.88 0.43 0.42 -0.76 0.00 0.00 175.35 173.84 2h96 s ILE 337 N 5.45 5.20 0.12 2.17 -1.09 -1.26 -4.86 121.20 126.93 2h96 s ILE 337 Ca 0.43 0.81 -0.24 0.00 -2.23 0.00 0.00 60.65 59.41 2h96 s ILE 337 Cb -0.08 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 2h96 s ILE 337 CO 0.22 0.29 1.35 -0.81 -1.23 0.00 0.00 174.94 174.76 2h96 n PRO 338 N 4.12 -0.34 0.00 2.79 -0.04 -1.26 -4.77 135.00 135.50 2h96 n PRO 338 Ca -0.08 1.33 0.00 0.00 -0.04 0.00 0.00 63.50 64.71 2h96 n PRO 338 Cb 0.51 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2h96 n PRO 338 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2h96 n ASP 339 N -4.76 0.00 0.00 3.54 5.68 -1.26 -5.07 116.55 114.68 2h96 n ASP 339 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 2h96 n ASP 339 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 2h96 n ASP 339 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2h96 n LYS 340 N 0.00 1.00 -0.03 0.11 2.85 -1.26 -4.82 118.16 116.02 2h96 n LYS 340 Ca 0.00 -0.81 0.04 0.00 -1.05 0.00 0.00 58.31 56.49 2h96 n LYS 340 Cb 0.00 -0.73 -0.12 0.00 -0.65 0.00 0.00 35.03 33.52 2h96 n LYS 340 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2h96 n GLN 341 N -0.18 0.77 0.00 -1.58 10.64 -1.26 -5.01 117.38 120.76 2h96 n GLN 341 Ca 0.00 -0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 2h96 n GLN 341 Cb 0.33 -1.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 2h96 n GLN 341 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 2h96 n LEU 342 N -2.20 0.00 0.00 2.61 -0.00 -1.26 -4.43 117.00 111.72 2h96 n LEU 342 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 2h96 n LEU 342 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 2h96 n LEU 342 CO 0.34 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 178.20 2h96 n ASP 343 N 0.00 0.00 -4.56 1.45 9.92 -1.26 -4.75 116.55 117.35 2h96 n ASP 343 Ca 0.00 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.94 2h96 n ASP 343 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 2h96 n ASP 343 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2h96 s GLU 344 N 0.00 2.42 0.00 -1.24 8.01 -1.26 -5.05 118.70 121.58 2h96 s GLU 344 Ca 0.00 -0.80 0.00 0.00 0.01 0.00 0.00 54.97 54.18 2h96 s GLU 344 Cb 0.00 -2.42 0.00 0.00 -4.31 0.00 0.00 34.13 27.40 2h96 s GLU 344 CO 0.00 0.58 0.00 2.89 0.01 0.00 0.00 175.26 178.74 2h96 n ARG 345 N 1.50 0.00 -3.99 1.61 1.85 -1.26 -5.12 116.66 111.26 2h96 n ARG 345 Ca -0.15 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.39 2h96 n ARG 345 Cb 0.52 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.78 2h96 n ARG 345 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2h96 s GLU 346 N 0.00 1.66 0.00 2.89 -1.05 -1.26 -5.10 118.70 115.84 2h96 s GLU 346 Ca 0.00 -1.43 0.00 0.00 -0.15 0.00 0.00 54.97 53.39 2h96 s GLU 346 Cb 0.00 -2.84 0.00 0.00 -0.44 0.00 0.00 34.13 30.85 2h96 s GLU 346 CO 0.00 -0.75 0.00 0.72 0.95 0.00 0.00 175.26 176.18 2h96 n HIS 347 N 4.47 0.00 -4.08 4.83 8.25 -1.26 -5.11 115.22 122.32 2h96 n HIS 347 Ca -0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 2h96 n HIS 347 Cb 0.42 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.41 2h96 n HIS 347 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2h96 s THR 348 N 0.57 0.45 0.00 1.59 -4.23 -1.26 -4.98 115.64 107.78 2h96 s THR 348 Ca 0.00 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2h96 s THR 348 Cb 0.00 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.35 2h96 s THR 348 CO 0.00 -0.23 0.00 2.30 -0.54 0.00 0.00 174.62 176.15 2h96 n ILE 349 N 1.97 0.00 -0.33 2.99 -5.35 -1.26 0.68 119.36 118.06 2h96 n ILE 349 Ca -0.20 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.35 2h96 n ILE 349 Cb 0.56 0.00 0.15 0.00 -1.74 0.00 0.00 39.64 38.61 2h96 n ILE 349 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2h96 h GLU 350 N 0.00 0.01 -0.73 6.28 4.22 -1.97 0.33 114.58 122.71 2h96 h GLU 350 Ca 0.00 -0.00 0.13 0.00 0.08 0.00 0.00 59.36 59.57 2h96 h GLU 350 Cb 0.00 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 2h96 h GLU 350 CO 0.00 0.00 0.29 0.93 -2.18 0.00 0.00 179.01 178.05 2h96 h GLU 351 N 0.01 0.43 0.05 1.92 5.08 -0.16 0.79 114.58 122.70 2h96 h GLU 351 Ca 0.47 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2h96 h GLU 351 Cb 0.77 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2h96 h GLU 351 CO -0.95 0.28 -0.03 -1.49 -1.00 0.00 0.00 179.01 175.83 2h96 h TRP 352 N 0.44 -0.07 -1.00 4.33 -0.00 -0.30 0.48 115.95 119.83 2h96 h TRP 352 Ca 0.39 -0.00 0.27 0.00 -0.00 0.00 0.00 58.89 59.55 2h96 h TRP 352 Cb 0.57 0.02 -0.13 0.00 -0.00 0.00 0.00 29.16 29.62 2h96 h TRP 352 CO -0.17 0.18 0.58 -0.22 -0.00 0.00 0.00 178.44 178.81 2h96 h LYS 353 N -0.30 0.49 0.15 0.49 3.64 0.13 1.93 116.57 123.10 2h96 h LYS 353 Ca -0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2h96 h LYS 353 Cb 0.27 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2h96 h LYS 353 CO 0.01 0.32 -0.07 1.49 -2.27 0.00 0.00 179.45 178.93 2h96 h GLU 354 N 0.50 -0.20 -0.83 1.90 4.57 0.96 0.33 114.58 121.81 2h96 h GLU 354 Ca 0.67 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 59.04 2h96 h GLU 354 Cb 1.35 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.87 2h96 h GLU 354 CO -0.52 0.21 0.34 -0.07 -1.18 0.00 0.00 179.01 177.80 2h96 h LEU 355 N -0.70 0.29 0.34 1.64 3.38 0.50 0.32 115.31 121.09 2h96 h LEU 355 Ca -0.02 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2h96 h LEU 355 Cb 0.50 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2h96 h LEU 355 CO 0.03 0.05 -0.16 0.40 0.09 0.00 0.00 178.44 178.85 2h96 h ILE 356 N 0.42 0.00 -0.58 1.22 1.08 0.28 -0.25 117.51 119.68 2h96 h ILE 356 Ca 0.49 -0.54 0.17 0.00 -0.39 0.00 0.00 64.86 64.59 2h96 h ILE 356 Cb 0.84 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 2h96 h ILE 356 CO -0.47 0.00 0.53 0.22 -0.69 0.00 0.00 178.15 177.74 2h96 h TYR 357 N -1.00 0.00 0.11 1.37 3.20 -0.07 1.94 116.97 122.52 2h96 h TYR 357 Ca -0.05 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.56 2h96 h TYR 357 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2h96 h TYR 357 CO 0.01 0.00 -1.20 0.87 -1.64 0.00 0.00 178.16 176.20 2h96 h LYS 358 N 0.00 0.28 -0.18 1.82 6.56 -0.37 -2.94 116.57 121.73 2h96 h LYS 358 Ca 0.27 -0.45 -0.15 0.00 -1.06 0.00 0.00 60.65 59.27 2h96 h LYS 358 Cb 1.34 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 33.16 2h96 h LYS 358 CO -0.00 1.20 -0.47 1.49 -2.06 0.00 0.00 179.45 179.61 2h96 h GLU 359 N 0.09 0.64 -0.73 3.15 4.57 0.44 -3.19 114.58 119.55 2h96 h GLU 359 Ca -0.12 -0.44 -0.06 0.00 -1.18 0.00 0.00 59.36 57.55 2h96 h GLU 359 Cb 1.92 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 30.55 2h96 h GLU 359 CO 0.20 1.06 0.23 0.28 -1.18 0.00 0.00 179.01 179.60 2h96 h VAL 360 N 0.32 1.26 0.00 0.32 2.07 0.10 -3.27 116.25 117.05 2h96 h VAL 360 Ca -0.01 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2h96 h VAL 360 Cb 1.08 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2h96 h VAL 360 CO 0.10 0.35 0.00 0.23 0.02 0.00 0.00 177.57 178.27 2h96 n MET 361 N -4.28 0.00 0.00 1.57 2.81 -1.11 -2.19 117.12 113.92 2h96 n MET 361 Ca 0.06 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 2h96 n MET 361 Cb 0.23 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.95 2h96 n MET 361 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2h96 n ASP 362 N -0.38 0.00 -4.58 7.83 5.75 -1.23 -4.43 116.55 119.51 2h96 n ASP 362 Ca 0.00 0.17 -0.25 0.00 -0.01 0.00 0.00 54.79 54.71 2h96 n ASP 362 Cb 0.00 -0.17 0.12 0.00 -1.03 0.00 0.00 41.12 40.04 2h96 n ASP 362 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2h96 s LEU 363 N -2.20 2.92 0.00 -2.12 2.96 -0.93 -5.15 118.68 114.17 2h96 s LEU 363 Ca 0.00 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2h96 s LEU 363 Cb 0.00 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.75 2h96 s LEU 363 CO 0.00 -2.04 0.00 -0.62 -1.32 0.00 0.00 176.35 172.37