#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 16pk s LYS 6 N 0.00 4.41 0.37 5.31 -0.14 -1.26 -0.34 119.74 128.09 16pk s LYS 6 Ca 0.00 1.10 -0.27 0.00 -1.36 0.00 0.00 55.97 55.44 16pk s LYS 6 Cb 0.00 -2.80 -0.10 0.00 -1.68 0.00 0.00 37.83 33.26 16pk s LYS 6 CO 0.00 0.31 1.32 0.21 -0.76 0.00 0.00 175.35 176.43 16pk s LYS 7 N -2.10 4.13 0.42 1.68 2.20 0.67 -4.37 119.74 122.38 16pk s LYS 7 Ca 0.48 2.21 0.07 0.00 -0.36 0.00 0.00 55.97 58.37 16pk s LYS 7 Cb -0.17 -2.90 -0.06 0.00 -1.51 0.00 0.00 37.83 33.19 16pk s LYS 7 CO 0.22 -0.38 0.12 -1.54 -0.36 0.00 0.00 175.35 173.41 16pk s SER 8 N -0.59 4.23 0.43 1.43 1.04 -1.26 -1.04 113.70 117.94 16pk s SER 8 Ca 0.53 -1.20 0.15 0.00 0.48 0.00 0.00 55.95 55.92 16pk s SER 8 Cb -0.39 -0.41 1.04 0.00 0.10 0.00 0.00 66.02 66.36 16pk s SER 8 CO 0.52 -0.53 1.93 -0.29 0.98 0.00 0.00 173.24 175.85 16pk h ILE 9 N 1.53 0.82 0.00 -1.02 2.10 -1.18 0.28 117.51 120.04 16pk h ILE 9 Ca -0.43 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.36 16pk h ILE 9 Cb 1.25 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 16pk h ILE 9 CO 0.74 0.08 0.00 0.78 -1.08 0.00 0.00 178.15 178.66 16pk h ASN 10 N 0.42 0.00 -0.36 2.19 -0.26 -1.96 -1.71 115.58 113.91 16pk h ASN 10 Ca 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 16pk h ASN 10 Cb 0.79 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.05 16pk h ASN 10 CO -0.11 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 175.64 16pk n GLU 11 N -2.92 2.47 -3.72 0.81 4.71 0.09 -4.99 120.64 117.10 16pk n GLU 11 Ca -0.02 -2.25 -0.31 0.00 -0.01 0.00 0.00 57.16 54.56 16pk n GLU 11 Cb 0.12 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.00 16pk n GLU 11 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 16pk s ASP 13 N -2.45 6.69 0.00 0.00 1.01 -1.26 -4.91 116.67 115.75 16pk s ASP 13 Ca 0.40 0.79 0.00 0.00 0.71 0.00 0.00 52.55 54.45 16pk s ASP 13 Cb -0.12 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.41 16pk s ASP 13 CO 0.25 -0.51 0.00 0.18 0.21 0.00 0.00 175.17 175.30 16pk n LEU 14 N 5.99 0.00 -4.67 1.23 4.77 -1.26 -4.89 117.00 118.16 16pk n LEU 14 Ca 0.03 -0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.38 16pk n LEU 14 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 16pk n LEU 14 CO 0.47 0.00 1.44 -0.75 -1.33 0.00 0.00 177.39 177.22 16pk s LYS 15 N -1.51 4.17 0.00 3.23 2.20 -1.18 -1.38 119.74 125.28 16pk s LYS 15 Ca 0.00 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.02 16pk s LYS 15 Cb 0.00 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 16pk s LYS 15 CO 0.00 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.56 16pk n GLY 16 N 4.22 1.02 3.85 5.54 0.00 0.06 -4.91 105.19 114.99 16pk n GLY 16 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 16pk n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 16pk s LYS 17 N -0.04 3.91 -0.42 1.61 -0.14 -0.48 -4.93 119.74 119.24 16pk s LYS 17 Ca 0.00 0.39 -0.18 0.00 -1.36 0.00 0.00 55.97 54.82 16pk s LYS 17 Cb 0.00 -2.93 0.02 0.00 -1.68 0.00 0.00 37.83 33.25 16pk s LYS 17 CO 0.00 0.49 0.47 0.21 -0.76 0.00 0.00 175.35 175.76 16pk s LYS 18 N -2.02 3.13 -0.27 1.68 2.20 -1.26 -1.14 119.74 122.05 16pk s LYS 18 Ca 0.37 -0.69 -0.11 0.00 -0.36 0.00 0.00 55.97 55.18 16pk s LYS 18 Cb -0.14 -3.96 -0.05 0.00 -1.51 0.00 0.00 37.83 32.16 16pk s LYS 18 CO 0.19 -0.88 0.20 0.08 -0.36 0.00 0.00 175.35 174.58 16pk s VAL 19 N 2.26 5.30 -0.26 4.02 1.01 0.52 -0.21 120.40 133.04 16pk s VAL 19 Ca 0.14 0.20 -0.24 0.00 0.00 0.00 0.00 61.98 62.09 16pk s VAL 19 Cb -0.16 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 16pk s VAL 19 CO 0.15 0.25 0.79 -0.76 0.00 0.00 0.00 175.10 175.53 16pk s LEU 20 N 1.70 4.08 -0.17 3.92 1.43 0.38 -0.81 118.68 129.21 16pk s LEU 20 Ca 0.08 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 16pk s LEU 20 Cb -0.16 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 42.97 16pk s LEU 20 CO 0.10 -0.52 -0.18 -0.63 0.23 0.00 0.00 176.35 175.34 16pk s ILE 21 N 2.83 1.92 -0.56 -0.59 1.01 -0.50 -0.37 121.20 124.94 16pk s ILE 21 Ca 0.33 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 16pk s ILE 21 Cb -0.15 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 40.62 16pk s ILE 21 CO 0.09 0.52 0.94 -0.60 0.00 0.00 0.00 174.94 175.88 16pk s ARG 22 N 1.34 3.31 0.34 2.79 3.00 -0.11 -1.33 118.95 128.29 16pk s ARG 22 Ca 0.05 -0.32 0.07 0.00 -1.00 0.00 0.00 55.73 54.53 16pk s ARG 22 Cb -0.13 -4.07 -0.02 0.00 0.00 0.00 0.00 34.95 30.73 16pk s ARG 22 CO -0.12 -1.50 0.35 0.14 0.00 0.00 0.00 175.30 174.17 16pk s VAL 23 N 3.93 3.63 -0.51 7.11 -7.23 -0.01 -0.77 120.40 126.55 16pk s VAL 23 Ca 0.29 -1.25 -0.08 0.00 -1.81 0.00 0.00 61.98 59.13 16pk s VAL 23 Cb -0.13 -3.24 0.13 0.00 0.56 0.00 0.00 36.38 33.71 16pk s VAL 23 CO 0.18 -0.16 0.37 -0.62 -0.31 0.00 0.00 175.10 174.57 16pk s ASP 24 N -4.06 5.66 -0.22 4.85 2.15 -1.26 -4.41 116.67 119.39 16pk s ASP 24 Ca 0.43 -2.11 0.13 0.00 0.43 0.00 0.00 52.55 51.42 16pk s ASP 24 Cb -0.07 -1.98 0.46 0.00 -0.30 0.00 0.00 42.92 41.03 16pk s ASP 24 CO 0.28 -0.62 1.35 0.49 -0.17 0.00 0.00 175.17 176.50 16pk n PHE 25 N 4.61 0.66 -1.50 -5.34 3.72 -1.26 -4.56 117.46 113.79 16pk n PHE 25 Ca -0.03 -1.30 -0.42 0.00 -0.05 0.00 0.00 57.45 55.64 16pk n PHE 25 Cb 0.41 -0.34 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 16pk n PHE 25 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 16pk n ASN 26 N -1.04 3.31 -4.88 4.37 5.15 -1.21 -4.78 115.26 116.18 16pk n ASN 26 Ca 0.25 -2.77 -0.30 0.00 -0.60 0.00 0.00 54.58 51.15 16pk n ASN 26 Cb 0.87 -1.43 -0.04 0.00 -0.53 0.00 0.00 39.78 38.65 16pk n ASN 26 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 16pk s VAL 27 N 4.03 4.91 0.13 3.44 -7.23 -1.26 -4.90 120.40 119.51 16pk s VAL 27 Ca 0.52 0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 60.77 16pk s VAL 27 Cb 0.14 -3.70 -0.07 0.00 0.56 0.00 0.00 36.38 33.32 16pk s VAL 27 CO 0.00 -0.31 1.10 -2.16 -0.31 0.00 0.00 175.10 173.42 16pk s PRO 28 N -3.43 4.56 0.01 4.82 0.04 -1.26 -4.82 135.00 134.93 16pk s PRO 28 Ca 0.48 1.68 0.05 0.00 0.04 0.00 0.00 61.00 63.25 16pk s PRO 28 Cb -0.11 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 16pk s PRO 28 CO 0.27 0.00 -0.15 0.14 0.04 0.00 0.00 177.00 177.30 16pk s VAL 29 N 0.16 1.22 -0.07 -0.36 -7.23 -1.26 -1.30 120.40 111.56 16pk s VAL 29 Ca 0.51 -0.83 -0.01 0.00 -1.81 0.00 0.00 61.98 59.85 16pk s VAL 29 Cb -0.28 -1.05 0.03 0.00 0.56 0.00 0.00 36.38 35.64 16pk s VAL 29 CO 0.33 0.21 -0.01 -0.75 -0.31 0.00 0.00 175.10 174.57 16pk s LYS 30 N -0.71 0.63 -1.48 4.82 2.47 0.43 -4.81 119.74 121.09 16pk s LYS 30 Ca 0.05 0.07 -0.11 0.00 -1.56 0.00 0.00 55.97 54.41 16pk s LYS 30 Cb -0.07 -0.93 0.07 0.00 -1.46 0.00 0.00 37.83 35.44 16pk s LYS 30 CO 0.00 -0.26 0.83 0.09 0.16 0.00 0.00 175.35 176.18 16pk n ASN 31 N 4.91 -4.88 0.00 1.43 5.03 -1.26 -1.47 115.26 119.02 16pk n ASN 31 Ca -0.11 -0.61 0.00 0.00 0.87 0.00 0.00 54.58 54.73 16pk n ASN 31 Cb 0.50 -3.92 0.00 0.00 -1.02 0.00 0.00 39.78 35.34 16pk n ASN 31 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 16pk n GLY 32 N -1.57 0.90 3.49 7.41 0.00 -1.26 -5.03 105.19 109.12 16pk n GLY 32 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 16pk n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 16pk s LYS 33 N -0.10 2.61 0.05 1.61 -0.14 -0.54 -4.90 119.74 118.33 16pk s LYS 33 Ca 0.00 -0.67 -0.31 0.00 -1.36 0.00 0.00 55.97 53.63 16pk s LYS 33 Cb 0.00 -2.43 -0.06 0.00 -1.68 0.00 0.00 37.83 33.66 16pk s LYS 33 CO 0.00 0.60 1.27 0.42 -0.76 0.00 0.00 175.35 176.88 16pk s ILE 34 N -0.66 3.86 -1.99 2.17 1.01 -1.26 -0.43 121.20 123.89 16pk s ILE 34 Ca 0.10 1.30 0.23 0.00 0.00 0.00 0.00 60.65 62.29 16pk s ILE 34 Cb -0.11 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.56 16pk s ILE 34 CO 0.01 0.07 1.16 0.35 0.00 0.00 0.00 174.94 176.53 16pk n THR 35 N 4.15 0.00 -3.15 2.92 -2.24 -0.42 -4.82 114.28 110.71 16pk n THR 35 Ca 0.10 -0.24 0.04 0.00 -2.27 0.00 0.00 64.05 61.69 16pk n THR 35 Cb 0.45 1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 69.79 16pk n THR 35 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 16pk s ASN 36 N -2.48 -1.30 -0.08 3.42 3.04 -1.25 -5.04 114.94 111.24 16pk s ASN 36 Ca 0.19 0.73 0.13 0.00 0.04 0.00 0.00 52.86 53.96 16pk s ASN 36 Cb 0.18 2.06 0.53 0.00 -1.54 0.00 0.00 41.25 42.48 16pk s ASN 36 CO 0.57 -0.24 1.39 -0.90 -3.04 0.00 0.00 177.10 174.87 16pk n ASP 37 N 5.43 3.59 -0.23 -4.21 5.68 -1.26 -4.33 116.55 121.22 16pk n ASP 37 Ca -0.01 -2.32 0.03 0.00 -0.50 0.00 0.00 54.79 51.99 16pk n ASP 37 Cb 0.52 -0.49 0.13 0.00 -1.14 0.00 0.00 41.12 40.14 16pk n ASP 37 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 16pk h TYR 38 N 2.99 0.06 -0.41 2.11 3.20 -1.99 -0.33 116.97 122.60 16pk h TYR 38 Ca 0.00 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 16pk h TYR 38 Cb 1.12 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 16pk h TYR 38 CO 0.56 -0.15 0.15 0.00 -1.64 0.00 0.00 178.16 177.08 16pk h ARG 39 N 0.16 0.58 -0.22 1.82 3.08 -1.88 -0.58 114.38 117.34 16pk h ARG 39 Ca 0.37 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 16pk h ARG 39 Cb 0.61 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 16pk h ARG 39 CO -0.54 0.49 -0.21 0.82 -1.07 0.00 0.00 179.97 179.46 16pk h ILE 40 N 0.58 1.32 -0.89 2.04 2.04 -1.34 -2.72 117.51 118.54 16pk h ILE 40 Ca 0.14 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.63 16pk h ILE 40 Cb 0.14 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 16pk h ILE 40 CO -0.01 0.42 0.57 0.03 0.00 0.00 0.00 178.15 179.16 16pk h ARG 41 N 0.21 1.18 0.00 2.37 3.08 -0.84 -2.00 114.38 118.38 16pk h ARG 41 Ca 0.03 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 16pk h ARG 41 Cb 0.76 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 16pk h ARG 41 CO 0.05 0.79 -0.10 0.66 -1.07 0.00 0.00 179.97 180.30 16pk h SER 42 N 1.21 0.00 1.84 7.04 4.64 -0.97 -2.52 113.55 124.79 16pk h SER 42 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 16pk h SER 42 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 16pk h SER 42 CO -0.07 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 16pk h ALA 43 N 1.90 1.00 -0.50 5.18 0.00 -1.05 -3.39 119.26 122.40 16pk h ALA 43 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 16pk h ALA 43 Cb 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 16pk h ALA 43 CO 0.01 0.00 -0.06 -0.07 0.00 0.00 0.00 179.25 179.13 16pk h LEU 44 N 0.00 -0.33 -0.99 0.00 3.38 -1.40 -2.74 115.31 113.22 16pk h LEU 44 Ca 0.00 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.21 16pk h LEU 44 Cb 0.92 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 16pk h LEU 44 CO 0.00 -0.12 0.63 -0.65 0.09 0.00 0.00 178.44 178.39 16pk h PRO 45 N 0.06 1.01 -0.35 1.13 0.11 -1.80 0.18 132.00 132.34 16pk h PRO 45 Ca 0.25 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 16pk h PRO 45 Cb 0.38 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 16pk h PRO 45 CO -0.47 0.67 0.12 1.15 -0.21 0.00 0.00 178.00 179.26 16pk h THR 46 N 1.05 1.20 -0.53 -1.15 2.02 -1.78 -1.54 112.91 112.17 16pk h THR 46 Ca 0.47 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 16pk h THR 46 Cb 0.37 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 16pk h THR 46 CO -0.23 0.22 0.11 -0.07 0.37 0.00 0.00 175.52 175.92 16pk h LEU 47 N 0.41 0.82 -1.08 2.58 4.07 -1.24 -2.72 115.31 118.16 16pk h LEU 47 Ca 0.11 -0.24 0.02 0.00 0.08 0.00 0.00 57.88 57.86 16pk h LEU 47 Cb 0.23 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.70 16pk h LEU 47 CO -0.01 0.86 0.62 0.50 -1.08 0.00 0.00 178.44 179.33 16pk h LYS 48 N 0.76 1.20 -0.33 1.13 3.11 -0.52 -1.80 116.57 120.11 16pk h LYS 48 Ca 0.17 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 16pk h LYS 48 Cb 0.36 -0.27 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 16pk h LYS 48 CO 0.01 0.79 0.21 -0.22 -2.81 0.00 0.00 179.45 177.43 16pk h LYS 49 N 1.23 0.44 0.03 1.90 1.63 -0.99 0.88 116.57 121.69 16pk h LYS 49 Ca 0.36 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.13 16pk h LYS 49 Cb -0.06 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.47 16pk h LYS 49 CO -0.10 0.31 -0.01 0.28 -3.45 0.00 0.00 179.45 176.48 16pk h VAL 50 N 0.44 1.00 -0.68 2.00 2.07 -1.12 -1.54 116.25 118.42 16pk h VAL 50 Ca 0.12 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.57 16pk h VAL 50 Cb -0.03 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 16pk h VAL 50 CO -0.02 0.02 0.45 -0.07 0.02 0.00 0.00 177.57 177.96 16pk h LEU 51 N -0.08 0.77 -1.24 2.57 3.38 -1.19 -1.69 115.31 117.82 16pk h LEU 51 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 16pk h LEU 51 Cb 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 16pk h LEU 51 CO 0.01 0.55 0.36 0.74 0.09 0.00 0.00 178.44 180.19 16pk h THR 52 N 0.91 1.19 -0.00 0.22 2.02 -0.66 -1.38 112.91 115.20 16pk h THR 52 Ca 0.25 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.97 16pk h THR 52 Cb -0.09 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 16pk h THR 52 CO -0.06 0.21 -0.02 -0.62 0.37 0.00 0.00 175.52 175.39 16pk n GLU 53 N -4.39 0.79 -0.48 6.66 -0.58 -0.59 -4.91 120.64 117.14 16pk n GLU 53 Ca 0.06 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 16pk n GLU 53 Cb 0.09 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 16pk n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 16pk n GLY 54 N 1.17 0.90 2.12 0.62 0.00 -0.52 -3.08 105.19 106.39 16pk n GLY 54 Ca 0.18 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 16pk n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 16pk n GLY 55 N -2.06 2.22 3.36 -0.02 0.00 -0.70 -0.76 105.19 107.24 16pk n GLY 55 Ca 0.00 -2.20 -0.20 0.00 0.00 0.00 0.00 46.02 43.62 16pk n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 16pk s SER 56 N -2.90 2.72 -0.09 1.61 1.04 -0.29 -0.68 113.70 115.10 16pk s SER 56 Ca 0.28 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 55.76 16pk s SER 56 Cb -0.02 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 16pk s SER 56 CO 0.18 -0.12 -0.23 0.00 0.98 0.00 0.00 173.24 174.05 16pk s VAL 58 N 0.14 2.73 -0.00 0.00 1.01 0.01 -0.31 120.40 123.99 16pk s VAL 58 Ca -0.12 -1.93 -0.18 0.00 0.00 0.00 0.00 61.98 59.74 16pk s VAL 58 Cb -0.16 -2.81 -0.06 0.00 0.00 0.00 0.00 36.38 33.36 16pk s VAL 58 CO 0.07 -0.43 0.52 -0.76 0.00 0.00 0.00 175.10 174.49 16pk s LEU 59 N 1.08 4.44 -0.03 3.92 1.43 0.74 -1.41 118.68 128.84 16pk s LEU 59 Ca 0.03 1.08 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 16pk s LEU 59 Cb -0.20 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 16pk s LEU 59 CO -0.05 0.19 -0.18 -0.04 0.23 0.00 0.00 176.35 176.51 16pk s MET 60 N -0.54 1.71 0.21 1.70 -1.94 -0.44 -1.70 119.30 118.31 16pk s MET 60 Ca 0.28 -0.63 -0.23 0.00 -1.71 0.00 0.00 55.69 53.40 16pk s MET 60 Cb -0.18 -1.53 0.05 0.00 2.01 0.00 0.00 34.83 35.18 16pk s MET 60 CO 0.15 0.29 0.89 0.45 -0.01 0.00 0.00 175.02 176.79 16pk s SER 61 N -0.11 -0.16 0.26 3.03 0.15 -1.26 -0.83 113.70 114.78 16pk s SER 61 Ca -0.01 -0.56 0.10 0.00 0.70 0.00 0.00 55.95 56.18 16pk s SER 61 Cb -0.10 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.75 16pk s SER 61 CO 0.01 -1.11 -0.15 -1.38 1.20 0.00 0.00 173.24 171.81 16pk s HIS 62 N -3.26 2.04 -0.04 3.44 -3.43 -1.26 -1.72 115.29 111.07 16pk s HIS 62 Ca 0.13 -0.48 -0.01 0.00 -0.80 0.00 0.00 55.06 53.90 16pk s HIS 62 Cb -0.03 -0.97 0.03 0.00 -1.43 0.00 0.00 32.58 30.18 16pk s HIS 62 CO 0.05 0.52 0.07 -1.17 -2.00 0.00 0.00 174.74 172.21 16pk s LEU 63 N -3.44 0.80 0.00 5.38 1.98 -1.26 -3.32 118.68 118.82 16pk s LEU 63 Ca 0.27 0.12 0.00 0.00 -2.89 0.00 0.00 54.13 51.64 16pk s LEU 63 Cb -0.02 0.05 0.00 0.00 0.66 0.00 0.00 46.19 46.88 16pk s LEU 63 CO 0.12 -0.16 0.00 0.61 -1.89 0.00 0.00 176.35 175.03 16pk n GLY 64 N 4.40 0.88 2.29 7.98 0.00 -1.26 -4.36 105.19 115.12 16pk n GLY 64 Ca -0.23 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 16pk n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 16pk n ARG 65 N 0.00 1.52 -1.52 1.61 1.74 -1.26 -5.08 116.66 113.68 16pk n ARG 65 Ca 0.00 -3.87 -0.33 0.00 -0.77 0.00 0.00 57.85 52.88 16pk n ARG 65 Cb 0.00 -1.68 0.07 0.00 -1.02 0.00 0.00 32.46 29.83 16pk n ARG 65 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 16pk s PRO 66 N -1.76 2.44 0.10 5.56 0.04 -1.26 -4.95 135.00 135.16 16pk s PRO 66 Ca 0.37 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 16pk s PRO 66 Cb 0.16 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.68 16pk s PRO 66 CO -0.07 -1.54 1.68 -0.22 0.04 0.00 0.00 177.00 176.90 16pk h LYS 67 N -0.41 -0.30 0.00 4.56 1.63 -1.90 -3.47 116.57 116.67 16pk h LYS 67 Ca -0.46 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 16pk h LYS 67 Cb 1.25 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 16pk h LYS 67 CO 0.52 -0.20 0.00 0.41 -3.45 0.00 0.00 179.45 176.73 16pk n GLY 68 N -1.27 0.32 2.99 5.01 0.00 -1.25 -4.80 105.19 106.19 16pk n GLY 68 Ca -0.07 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 16pk n GLY 68 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 16pk s ILE 69 N -2.94 0.24 0.37 -0.61 2.07 -0.67 -4.71 121.20 114.95 16pk s ILE 69 Ca 0.00 -0.82 -0.27 0.00 -1.41 0.00 0.00 60.65 58.15 16pk s ILE 69 Cb 0.00 -0.34 -0.09 0.00 0.13 0.00 0.00 42.46 42.16 16pk s ILE 69 CO 0.00 -0.38 1.25 -2.84 -1.91 0.00 0.00 174.94 171.06 16pk s PRO 70 N -1.26 4.19 0.40 3.50 0.02 -1.26 -0.93 135.00 139.66 16pk s PRO 70 Ca -0.11 2.06 0.16 0.00 0.02 0.00 0.00 61.00 63.13 16pk s PRO 70 Cb -0.08 -2.89 1.02 0.00 0.02 0.00 0.00 34.50 32.57 16pk s PRO 70 CO -0.00 -0.27 1.84 0.52 -0.33 0.00 0.00 177.00 178.76 16pk h MET 71 N 3.03 0.46 -0.59 5.54 2.86 -1.96 -1.53 114.93 122.74 16pk h MET 71 Ca -0.49 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.19 16pk h MET 71 Cb 1.23 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 16pk h MET 71 CO 0.64 0.30 0.39 0.00 1.06 0.00 0.00 176.91 179.31 16pk h ALA 72 N 1.61 1.87 0.00 6.32 0.00 -2.05 -1.28 119.26 125.74 16pk h ALA 72 Ca 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.38 16pk h ALA 72 Cb 1.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.78 16pk h ALA 72 CO -0.21 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.11 16pk n GLN 73 N -4.48 0.05 -0.19 0.00 6.02 -0.57 -3.96 117.38 114.26 16pk n GLN 73 Ca 0.09 0.07 -0.03 0.00 -0.01 0.00 0.00 57.00 57.12 16pk n GLN 73 Cb 0.27 -1.56 0.07 0.00 1.02 0.00 0.00 30.24 30.04 16pk n GLN 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 16pk h ALA 74 N 2.85 0.72 -0.17 -1.58 0.00 -1.30 -2.84 119.26 116.94 16pk h ALA 74 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.00 16pk h ALA 74 Cb 0.51 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 16pk h ALA 74 CO 0.00 -0.09 -0.30 0.78 0.00 0.00 0.00 179.25 179.64 16pk h GLY 75 N 0.51 -0.36 0.29 0.00 0.00 -1.75 -0.03 103.07 101.74 16pk h GLY 75 Ca 0.26 0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.99 16pk h GLY 75 CO -0.20 -0.21 -0.33 0.50 0.00 0.00 0.00 176.54 176.30 16pk h LYS 76 N -0.35 -0.48 -0.53 4.80 6.56 -1.79 -2.38 116.57 122.39 16pk h LYS 76 Ca 0.11 0.03 0.10 0.00 -1.06 0.00 0.00 60.65 59.84 16pk h LYS 76 Cb 0.52 0.11 -0.09 0.00 -0.57 0.00 0.00 32.23 32.20 16pk h LYS 76 CO -0.37 -0.32 -0.01 0.82 -2.06 0.00 0.00 179.45 177.52 16pk h ILE 77 N -0.49 0.57 -0.28 1.86 1.08 -1.20 -1.27 117.51 117.78 16pk h ILE 77 Ca 0.06 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 16pk h ILE 77 Cb 0.57 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 16pk h ILE 77 CO -0.27 0.02 0.06 0.03 -0.69 0.00 0.00 178.15 177.30 16pk h ARG 78 N 0.11 0.40 -0.73 2.37 3.08 -0.76 -1.13 114.38 117.72 16pk h ARG 78 Ca 0.27 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 16pk h ARG 78 Cb 0.41 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 16pk h ARG 78 CO -0.45 0.39 0.27 0.77 -1.07 0.00 0.00 179.97 179.87 16pk h SER 79 N 0.40 1.01 0.62 7.04 0.02 -0.72 0.17 113.55 122.10 16pk h SER 79 Ca 0.10 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 16pk h SER 79 Cb 0.18 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.45 16pk h SER 79 CO -0.00 0.92 0.00 0.41 -1.14 0.00 0.00 176.83 177.01 16pk n THR 80 N -4.28 0.68 -0.45 -2.27 -1.04 -0.82 -4.85 114.28 101.26 16pk n THR 80 Ca 0.06 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 16pk n THR 80 Cb 0.20 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 16pk n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 16pk n GLY 81 N 0.43 0.84 3.91 3.41 0.00 0.61 -5.05 105.19 109.34 16pk n GLY 81 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 16pk n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 16pk s GLY 82 N -1.57 1.62 -0.26 -0.02 0.00 -0.49 -4.93 107.32 101.67 16pk s GLY 82 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 44.72 43.91 16pk s GLY 82 CO 0.00 -0.26 0.10 0.54 0.00 0.00 0.00 173.10 173.48 16pk s VAL 83 N -3.48 4.52 -0.14 1.40 0.11 -1.26 -3.86 120.40 117.69 16pk s VAL 83 Ca 0.61 -0.11 -0.36 0.00 -2.93 0.00 0.00 61.98 59.19 16pk s VAL 83 Cb -0.11 -3.13 -0.13 0.00 -1.53 0.00 0.00 36.38 31.47 16pk s VAL 83 CO 0.48 0.31 1.81 -2.65 -3.33 0.00 0.00 175.10 171.71 16pk n PRO 84 N 4.95 1.80 -0.99 1.54 -0.02 -1.26 -1.59 135.00 139.43 16pk n PRO 84 Ca -0.16 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 16pk n PRO 84 Cb 0.51 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 16pk n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 16pk n GLY 85 N 4.24 0.44 3.76 -1.23 0.00 -1.26 -4.73 105.19 106.42 16pk n GLY 85 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 16pk n GLY 85 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 16pk n PHE 86 N -2.71 2.73 -3.51 1.61 7.35 -0.62 -4.67 117.46 117.63 16pk n PHE 86 Ca 0.00 0.46 -0.10 0.00 -0.76 0.00 0.00 57.45 57.05 16pk n PHE 86 Cb 0.09 -2.48 -0.10 0.00 0.35 0.00 0.00 39.48 37.34 16pk n PHE 86 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 16pk s GLN 87 N -2.23 0.30 0.29 -4.13 -0.21 -1.26 -5.06 119.66 107.35 16pk s GLN 87 Ca 0.57 0.71 0.03 0.00 0.02 0.00 0.00 55.36 56.69 16pk s GLN 87 Cb -0.48 -0.19 0.71 0.00 1.00 0.00 0.00 33.01 34.06 16pk s GLN 87 CO 0.61 -0.46 1.68 0.37 -2.12 0.00 0.00 175.29 175.37 16pk h GLN 88 N 8.20 0.33 0.00 2.91 5.75 -1.99 -0.16 115.11 130.16 16pk h GLN 88 Ca -0.17 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 16pk h GLN 88 Cb 1.13 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 16pk h GLN 88 CO 0.20 0.22 -0.06 0.87 -2.65 0.00 0.00 178.83 177.41 16pk h LYS 89 N 0.34 0.00 -0.21 1.69 1.57 -2.01 -3.03 116.57 114.91 16pk h LYS 89 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 16pk h LYS 89 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 16pk h LYS 89 CO -0.56 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.38 16pk n ALA 90 N -2.30 2.86 -1.79 3.86 0.00 -0.09 -4.95 120.51 118.10 16pk n ALA 90 Ca -0.02 -2.37 -0.36 0.00 0.00 0.00 0.00 53.44 50.69 16pk n ALA 90 Cb 0.16 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 16pk n ALA 90 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 16pk s THR 91 N -2.84 3.99 -2.54 0.00 -1.32 -1.12 -4.65 115.64 107.16 16pk s THR 91 Ca 0.40 1.49 0.24 0.00 -1.21 0.00 0.00 61.69 62.61 16pk s THR 91 Cb 0.33 -3.75 0.42 0.00 -1.51 0.00 0.00 72.50 67.99 16pk s THR 91 CO 0.08 -0.02 1.53 0.18 -2.21 0.00 0.00 174.62 174.17 16pk n LEU 92 N -0.03 2.20 -0.25 9.08 4.77 -1.26 -4.46 117.00 127.05 16pk n LEU 92 Ca 0.05 -0.83 0.05 0.00 -0.03 0.00 0.00 56.01 55.24 16pk n LEU 92 Cb 0.51 -0.07 0.18 0.00 -2.33 0.00 0.00 43.42 41.71 16pk n LEU 92 CO 0.43 0.41 1.01 0.50 -1.33 0.00 0.00 177.39 178.42 16pk h LYS 93 N 3.19 0.43 0.00 3.23 3.64 -1.95 0.76 116.57 125.86 16pk h LYS 93 Ca 0.00 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 16pk h LYS 93 Cb 0.69 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 16pk h LYS 93 CO 0.00 0.28 -0.27 -1.00 -2.27 0.00 0.00 179.45 176.19 16pk h PRO 94 N 0.44 0.00 -0.44 1.90 0.13 -1.91 -2.66 132.00 129.46 16pk h PRO 94 Ca 0.41 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.41 16pk h PRO 94 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 16pk h PRO 94 CO -0.40 0.27 -0.22 0.28 -0.23 0.00 0.00 178.00 177.71 16pk h VAL 95 N 0.00 1.27 -0.40 1.56 2.07 -1.18 -1.11 116.25 118.45 16pk h VAL 95 Ca -0.00 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.19 16pk h VAL 95 Cb 0.68 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 16pk h VAL 95 CO 0.04 0.46 0.19 0.00 0.02 0.00 0.00 177.57 178.27 16pk h ALA 96 N 0.97 0.49 -0.30 1.67 0.00 -0.97 0.11 119.26 121.23 16pk h ALA 96 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 16pk h ALA 96 Cb 0.77 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 16pk h ALA 96 CO 0.06 -0.18 0.14 -0.22 0.00 0.00 0.00 179.25 179.04 16pk h LYS 97 N 0.38 0.44 -0.78 0.00 3.64 -1.33 -1.44 116.57 117.48 16pk h LYS 97 Ca 0.17 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 16pk h LYS 97 Cb 0.10 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 16pk h LYS 97 CO -0.13 0.43 0.34 -0.09 -2.27 0.00 0.00 179.45 177.72 16pk h ARG 98 N 0.35 1.15 -0.75 1.90 9.65 -0.87 -2.01 114.38 123.80 16pk h ARG 98 Ca 0.10 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 16pk h ARG 98 Cb 0.14 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 16pk h ARG 98 CO -0.01 0.92 0.43 1.25 2.80 0.00 0.00 179.97 185.36 16pk h LEU 99 N 1.12 0.91 -0.69 3.80 5.85 -0.52 -1.00 115.31 124.78 16pk h LEU 99 Ca 0.26 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.91 16pk h LEU 99 Cb 0.18 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 16pk h LEU 99 CO -0.03 0.73 0.46 -1.28 -0.34 0.00 0.00 178.44 177.98 16pk h SER 100 N 1.03 0.78 -0.77 1.25 0.87 -0.94 0.21 113.55 115.98 16pk h SER 100 Ca 0.27 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 16pk h SER 100 Cb -0.00 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 16pk h SER 100 CO -0.05 0.57 0.41 -0.33 -0.53 0.00 0.00 176.83 176.90 16pk h GLU 101 N 0.93 1.08 -0.11 2.24 5.08 -0.70 0.20 114.58 123.30 16pk h GLU 101 Ca 0.26 -0.13 -0.22 0.00 -1.00 0.00 0.00 59.36 58.26 16pk h GLU 101 Cb -0.09 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 28.96 16pk h GLU 101 CO -0.06 0.81 -0.82 -0.07 -1.00 0.00 0.00 179.01 177.87 16pk h LEU 102 N 1.07 0.85 -0.09 1.33 3.38 -0.64 -3.20 115.31 118.01 16pk h LEU 102 Ca 0.27 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 16pk h LEU 102 Cb 0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 16pk h LEU 102 CO -0.04 1.37 -0.01 -0.07 0.09 0.00 0.00 178.44 179.78 16pk h LEU 103 N 0.46 0.00 -0.98 1.67 3.38 -0.48 -3.47 115.31 115.90 16pk h LEU 103 Ca -0.06 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.56 16pk h LEU 103 Cb 1.45 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.33 16pk h LEU 103 CO 0.16 0.01 -0.62 0.18 0.09 0.00 0.00 178.44 178.26 16pk n LEU 104 N -3.10 -3.35 -3.59 1.67 7.99 0.69 -5.00 117.00 112.32 16pk n LEU 104 Ca 0.04 -0.50 -0.11 0.00 -0.01 0.00 0.00 56.01 55.43 16pk n LEU 104 Cb 0.52 -2.80 -0.04 0.00 -0.11 0.00 0.00 43.42 40.99 16pk n LEU 104 CO 0.34 0.56 0.21 0.00 -1.51 0.00 0.00 177.39 176.99 16pk s ARG 105 N -6.06 1.12 0.56 3.23 1.70 -1.09 -5.07 118.95 113.35 16pk s ARG 105 Ca 0.46 -0.66 -0.20 0.00 -0.47 0.00 0.00 55.73 54.86 16pk s ARG 105 Cb -0.20 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 16pk s ARG 105 CO 0.66 -0.45 1.20 -2.14 -1.08 0.00 0.00 175.30 173.48 16pk s PRO 106 N -3.79 3.18 -0.19 3.89 0.02 -1.26 -4.44 135.00 132.41 16pk s PRO 106 Ca 0.03 1.80 -0.03 0.00 0.02 0.00 0.00 61.00 62.82 16pk s PRO 106 Cb 0.01 -2.04 0.06 0.00 0.02 0.00 0.00 34.50 32.55 16pk s PRO 106 CO -0.12 -1.03 0.04 0.08 -0.33 0.00 0.00 177.00 175.64 16pk s VAL 107 N -1.60 0.44 -0.11 3.83 1.01 -1.26 -4.32 120.40 118.39 16pk s VAL 107 Ca 0.74 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 16pk s VAL 107 Cb -0.29 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 16pk s VAL 107 CO 0.33 -0.21 0.87 -0.89 0.00 0.00 0.00 175.10 175.20 16pk s THR 108 N 1.90 4.89 -0.18 3.92 2.01 -0.66 -4.84 115.64 122.68 16pk s THR 108 Ca -0.00 1.76 -0.18 0.00 0.31 0.00 0.00 61.69 63.58 16pk s THR 108 Cb -0.17 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 16pk s THR 108 CO -0.08 0.08 0.51 0.12 -0.69 0.00 0.00 174.62 174.56 16pk s PHE 109 N 1.70 3.41 -0.45 4.92 5.36 -1.26 -1.41 117.98 130.25 16pk s PHE 109 Ca 0.43 0.80 -0.14 0.00 -0.96 0.00 0.00 56.93 57.05 16pk s PHE 109 Cb -0.18 -2.64 0.06 0.00 -0.34 0.00 0.00 43.02 39.93 16pk s PHE 109 CO 0.17 -0.03 0.35 0.00 -1.46 0.00 0.00 175.22 174.26 16pk s ALA 110 N 1.36 3.50 -0.49 11.12 0.00 -0.24 -4.96 121.76 132.05 16pk s ALA 110 Ca 0.25 -2.02 0.09 0.00 0.00 0.00 0.00 51.96 50.27 16pk s ALA 110 Cb -0.15 -2.97 0.50 0.00 0.00 0.00 0.00 23.12 20.50 16pk s ALA 110 CO 0.10 -1.65 1.23 -0.35 0.00 0.00 0.00 175.76 175.08 16pk n PRO 111 N 5.15 0.06 -3.61 0.00 -0.04 -1.26 -0.69 135.00 134.61 16pk n PRO 111 Ca -0.12 0.52 -0.23 0.00 -0.04 0.00 0.00 63.50 63.63 16pk n PRO 111 Cb 0.44 -1.79 -0.16 0.00 -0.04 0.00 0.00 33.50 31.95 16pk n PRO 111 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 16pk s ASP 112 N -3.33 1.78 0.62 3.54 -1.08 -1.26 -4.64 116.67 112.31 16pk s ASP 112 Ca -0.01 -0.31 0.38 0.00 -0.52 0.00 0.00 52.55 52.09 16pk s ASP 112 Cb 0.03 -0.07 2.04 0.00 -1.46 0.00 0.00 42.92 43.46 16pk s ASP 112 CO 0.08 -0.32 2.26 0.00 0.52 0.00 0.00 175.17 177.72 16pk n LEU 114 N -3.33 3.65 -3.16 0.00 4.77 -1.26 -4.46 117.00 113.20 16pk n LEU 114 Ca -0.02 -1.89 -0.18 0.00 -0.03 0.00 0.00 56.01 53.89 16pk n LEU 114 Cb 0.12 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 16pk n LEU 114 CO 0.24 0.89 -0.21 -3.20 -1.33 0.00 0.00 177.39 173.78 16pk n ASN 115 N 1.40 0.74 -0.16 -1.43 5.15 -0.79 -4.89 115.26 115.28 16pk n ASN 115 Ca 0.21 -3.03 0.06 0.00 -0.60 0.00 0.00 54.58 51.22 16pk n ASN 115 Cb 0.58 -0.53 0.08 0.00 -0.53 0.00 0.00 39.78 39.37 16pk n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 16pk n ALA 116 N 0.28 2.09 -0.28 5.20 0.00 -1.25 -4.73 120.51 121.81 16pk n ALA 116 Ca 0.24 -1.90 0.07 0.00 0.00 0.00 0.00 53.44 51.84 16pk n ALA 116 Cb 0.66 -0.34 0.22 0.00 0.00 0.00 0.00 19.45 20.00 16pk n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 16pk h ALA 117 N 0.00 1.22 0.47 0.00 0.00 -1.93 -1.47 119.26 117.55 16pk h ALA 117 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 16pk h ALA 117 Cb 1.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 16pk h ALA 117 CO 0.00 -0.13 -0.23 0.22 0.00 0.00 0.00 179.25 179.11 16pk h ASP 118 N 0.57 -0.54 -0.88 0.00 3.58 -1.99 -0.67 116.42 116.49 16pk h ASP 118 Ca 0.45 -0.08 0.06 0.00 0.42 0.00 0.00 57.03 57.88 16pk h ASP 118 Cb 0.66 0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.79 16pk h ASP 118 CO -0.38 -0.18 0.55 1.62 -2.88 0.00 0.00 179.24 177.97 16pk h VAL 119 N -0.93 1.07 -0.81 2.25 3.04 -1.91 -1.81 116.25 117.15 16pk h VAL 119 Ca -0.06 -0.35 -0.04 0.00 -1.01 0.00 0.00 66.70 65.24 16pk h VAL 119 Cb 0.59 -0.04 -0.04 0.00 -2.01 0.00 0.00 31.29 29.79 16pk h VAL 119 CO 0.11 0.19 0.35 0.58 -1.01 0.00 0.00 177.57 177.78 16pk h VAL 120 N 1.01 1.26 -0.19 1.51 2.07 -1.24 -2.47 116.25 118.21 16pk h VAL 120 Ca 0.38 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 16pk h VAL 120 Cb 0.14 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 16pk h VAL 120 CO -0.16 0.33 -0.01 0.77 0.02 0.00 0.00 177.57 178.51 16pk h SER 121 N 1.17 0.25 -0.01 0.57 4.64 -0.26 -2.27 113.55 117.65 16pk h SER 121 Ca 0.27 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 16pk h SER 121 Cb 0.18 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 16pk h SER 121 CO -0.03 0.32 0.00 0.29 -0.87 0.00 0.00 176.83 176.54 16pk n LYS 122 N -4.36 1.20 -2.27 4.77 5.02 -0.94 -4.91 118.16 116.66 16pk n LYS 122 Ca -0.00 -0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 55.62 16pk n LYS 122 Cb 0.19 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 16pk n LYS 122 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 16pk s MET 123 N -1.99 4.04 0.26 1.97 -1.94 -0.85 -5.06 119.30 115.72 16pk s MET 123 Ca 0.43 1.87 0.08 0.00 -1.71 0.00 0.00 55.69 56.36 16pk s MET 123 Cb 0.21 -2.68 -0.05 0.00 2.01 0.00 0.00 34.83 34.32 16pk s MET 123 CO 0.34 -0.34 -0.11 -1.12 -0.01 0.00 0.00 175.02 173.78 16pk s SER 124 N -1.10 2.92 0.23 3.03 0.01 -1.26 -5.05 113.70 112.48 16pk s SER 124 Ca 0.57 -1.11 -0.31 0.00 1.31 0.00 0.00 55.95 56.41 16pk s SER 124 Cb -0.31 -0.19 -0.14 0.00 0.21 0.00 0.00 66.02 65.59 16pk s SER 124 CO 0.39 -0.21 1.36 -2.65 0.41 0.00 0.00 173.24 172.55 16pk n PRO 125 N -0.54 1.89 0.00 12.44 -0.02 -1.26 -1.37 135.00 146.14 16pk n PRO 125 Ca -0.06 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 16pk n PRO 125 Cb 0.62 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 16pk n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 16pk n GLY 126 N 2.07 1.05 3.86 -1.23 0.00 0.14 -4.92 105.19 106.15 16pk n GLY 126 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 16pk n GLY 126 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 16pk s ASP 127 N -1.75 6.56 -0.07 1.61 1.01 -0.47 -4.94 116.67 118.62 16pk s ASP 127 Ca 0.00 1.35 0.00 0.00 0.71 0.00 0.00 52.55 54.61 16pk s ASP 127 Cb 0.00 -2.41 0.02 0.00 1.01 0.00 0.00 42.92 41.54 16pk s ASP 127 CO 0.00 -0.50 -0.04 -0.69 0.21 0.00 0.00 175.17 174.15 16pk s VAL 128 N -2.52 0.61 -0.05 -1.27 1.01 -1.26 -0.98 120.40 115.94 16pk s VAL 128 Ca 0.55 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.48 16pk s VAL 128 Cb -0.10 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 16pk s VAL 128 CO 0.32 0.27 -0.19 -0.69 0.00 0.00 0.00 175.10 174.82 16pk s VAL 129 N 1.42 1.56 -0.22 2.92 1.01 0.58 -1.65 120.40 126.02 16pk s VAL 129 Ca -0.03 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 16pk s VAL 129 Cb -0.13 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.90 16pk s VAL 129 CO -0.03 0.45 -0.06 -0.22 0.00 0.00 0.00 175.10 175.23 16pk s LEU 130 N 0.10 2.86 0.50 3.92 2.96 -0.50 -0.19 118.68 128.35 16pk s LEU 130 Ca -0.06 -0.51 -0.18 0.00 -0.22 0.00 0.00 54.13 53.16 16pk s LEU 130 Cb -0.13 -1.70 -0.08 0.00 0.50 0.00 0.00 46.19 44.78 16pk s LEU 130 CO 0.03 -0.04 0.99 -0.76 -1.32 0.00 0.00 176.35 175.25 16pk s LEU 131 N 1.43 3.68 0.89 -0.68 1.43 -0.69 -1.08 118.68 123.68 16pk s LEU 131 Ca 0.05 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 54.67 16pk s LEU 131 Cb -0.15 -4.52 0.13 0.00 0.03 0.00 0.00 46.19 41.69 16pk s LEU 131 CO -0.05 -0.61 1.11 -0.70 0.23 0.00 0.00 176.35 176.33 16pk s GLU 132 N -3.86 1.23 -0.45 1.70 2.56 0.13 -4.69 118.70 115.33 16pk s GLU 132 Ca 0.60 1.23 -0.42 0.00 0.00 0.00 0.00 54.97 56.38 16pk s GLU 132 Cb -0.11 -1.78 -0.18 0.00 2.00 0.00 0.00 34.13 34.07 16pk s GLU 132 CO 0.28 -2.38 1.54 -1.71 -0.56 0.00 0.00 175.26 172.43 16pk n ASN 133 N -4.03 1.01 0.25 -1.70 2.85 -1.26 -4.30 115.26 108.08 16pk n ASN 133 Ca 0.09 0.98 0.16 0.00 -0.11 0.00 0.00 54.58 55.70 16pk n ASN 133 Cb 0.53 -0.80 0.67 0.00 1.24 0.00 0.00 39.78 41.42 16pk n ASN 133 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 16pk h VAL 134 N 4.88 0.00 -0.08 3.44 -1.51 -1.65 -2.87 116.25 118.45 16pk h VAL 134 Ca -0.33 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 16pk h VAL 134 Cb 1.25 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 16pk h VAL 134 CO 0.90 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.78 16pk n ARG 135 N -2.91 1.20 0.04 5.19 1.74 -1.26 -2.81 116.66 117.85 16pk n ARG 135 Ca 0.01 -0.32 0.12 0.00 -0.77 0.00 0.00 57.85 56.89 16pk n ARG 135 Cb 0.28 -1.11 0.48 0.00 -1.02 0.00 0.00 32.46 31.09 16pk n ARG 135 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 16pk n PHE 136 N -0.28 0.33 -4.56 -1.55 3.01 -1.09 -3.88 117.46 109.44 16pk n PHE 136 Ca 0.05 0.11 -0.33 0.00 1.01 0.00 0.00 57.45 58.28 16pk n PHE 136 Cb 0.08 -0.67 -0.14 0.00 -0.01 0.00 0.00 39.48 38.74 16pk n PHE 136 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 16pk s TYR 137 N -3.07 2.87 0.44 1.38 2.02 -1.12 -1.67 117.35 118.20 16pk s TYR 137 Ca 0.10 -0.65 0.11 0.00 -0.37 0.00 0.00 57.07 56.26 16pk s TYR 137 Cb 0.14 -1.91 1.00 0.00 -0.40 0.00 0.00 41.96 40.80 16pk s TYR 137 CO 0.46 -0.25 2.06 0.87 -1.57 0.00 0.00 175.55 177.13 16pk h LYS 138 N 6.95 0.37 0.00 -0.62 1.57 -1.29 -2.45 116.57 121.10 16pk h LYS 138 Ca -0.29 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 16pk h LYS 138 Cb 1.20 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.43 16pk h LYS 138 CO 0.58 0.25 0.00 -0.85 -0.57 0.00 0.00 179.45 178.85 16pk n GLU 139 N -4.49 0.20 -0.07 3.15 0.00 -1.26 -3.32 120.64 114.85 16pk n GLU 139 Ca 0.03 0.44 -0.07 0.00 0.00 0.00 0.00 57.16 57.56 16pk n GLU 139 Cb 0.14 -1.89 -0.00 0.00 0.00 0.00 0.00 31.44 29.68 16pk n GLU 139 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 16pk h GLU 140 N 0.00 -0.12 -0.44 3.44 4.22 -1.70 -2.57 114.58 117.40 16pk h GLU 140 Ca 0.00 0.01 -0.16 0.00 0.08 0.00 0.00 59.36 59.29 16pk h GLU 140 Cb 0.36 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.54 16pk h GLU 140 CO 0.00 -0.08 0.07 0.41 -2.18 0.00 0.00 179.01 177.23 16pk n GLY 141 N -1.33 4.41 3.74 1.92 0.00 -1.21 -1.01 105.19 111.71 16pk n GLY 141 Ca 0.00 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 16pk n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 16pk s SER 142 N -2.01 4.86 0.19 1.61 0.15 -0.97 -4.90 113.70 112.64 16pk s SER 142 Ca 0.47 2.57 0.26 0.00 0.70 0.00 0.00 55.95 59.95 16pk s SER 142 Cb 0.40 -2.61 0.85 0.00 -1.71 0.00 0.00 66.02 62.94 16pk s SER 142 CO 0.06 -1.83 1.79 0.29 1.20 0.00 0.00 173.24 174.75 16pk n LYS 143 N -1.70 0.24 -3.17 5.44 5.02 -1.26 -4.72 118.16 118.01 16pk n LYS 143 Ca 0.15 0.21 -0.40 0.00 -2.02 0.00 0.00 58.31 56.24 16pk n LYS 143 Cb 0.48 -1.78 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 16pk n LYS 143 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 16pk s LYS 144 N -3.10 4.21 0.21 1.97 3.01 -1.26 -4.96 119.74 119.81 16pk s LYS 144 Ca 0.11 0.53 -0.10 0.00 -1.01 0.00 0.00 55.97 55.50 16pk s LYS 144 Cb 0.13 -3.57 0.22 0.00 -1.01 0.00 0.00 37.83 33.60 16pk s LYS 144 CO 0.58 -0.20 1.82 0.00 0.51 0.00 0.00 175.35 178.07 16pk h ALA 145 N 7.46 0.90 -0.75 5.17 0.00 -2.00 -1.27 119.26 128.78 16pk h ALA 145 Ca -0.33 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.67 16pk h ALA 145 Cb 1.15 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 16pk h ALA 145 CO 0.76 0.11 0.49 0.87 0.00 0.00 0.00 179.25 181.48 16pk h LYS 146 N 0.75 0.69 -0.04 0.00 1.57 -1.97 0.41 116.57 117.98 16pk h LYS 146 Ca 0.29 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 16pk h LYS 146 Cb 0.13 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 16pk h LYS 146 CO -0.15 0.46 0.01 -0.44 -0.57 0.00 0.00 179.45 178.75 16pk h ASP 147 N 0.71 0.06 -0.56 0.86 5.19 -1.60 -1.71 116.42 119.37 16pk h ASP 147 Ca 0.34 -0.25 -0.08 0.00 -0.62 0.00 0.00 57.03 56.42 16pk h ASP 147 Cb 0.38 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 16pk h ASP 147 CO -0.12 0.30 0.07 0.03 -3.12 0.00 0.00 179.24 176.40 16pk h ARG 148 N -0.18 0.98 -0.74 3.56 3.08 -0.70 -2.89 114.38 117.49 16pk h ARG 148 Ca 0.01 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 16pk h ARG 148 Cb 0.26 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 16pk h ARG 148 CO 0.00 0.92 0.29 0.93 -1.07 0.00 0.00 179.97 181.04 16pk h GLU 149 N 0.91 1.11 -0.29 0.04 4.39 -0.12 -0.11 114.58 120.52 16pk h GLU 149 Ca 0.18 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 16pk h GLU 149 Cb 0.44 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 16pk h GLU 149 CO 0.01 0.91 0.15 0.00 -1.16 0.00 0.00 179.01 178.93 16pk h ALA 150 N 1.15 0.37 -0.25 3.43 0.00 -1.11 -0.40 119.26 122.44 16pk h ALA 150 Ca 0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 16pk h ALA 150 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 16pk h ALA 150 CO -0.02 -0.09 -0.07 1.98 0.00 0.00 0.00 179.25 181.04 16pk h MET 151 N 0.34 0.48 -0.12 0.00 1.85 -1.38 -3.03 114.93 113.08 16pk h MET 151 Ca 0.10 -0.19 -0.00 0.00 -0.61 0.00 0.00 59.70 59.00 16pk h MET 151 Cb 0.08 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.08 16pk h MET 151 CO -0.01 0.72 0.07 0.00 -0.40 0.00 0.00 176.91 177.28 16pk h ALA 152 N 0.75 1.90 -0.75 0.39 0.00 -0.87 -1.92 119.26 118.76 16pk h ALA 152 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 16pk h ALA 152 Cb 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 16pk h ALA 152 CO 0.03 0.09 0.37 -0.22 0.00 0.00 0.00 179.25 179.52 16pk h LYS 153 N 0.16 1.07 -0.08 0.00 3.64 -0.94 0.29 116.57 120.70 16pk h LYS 153 Ca 0.04 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 16pk h LYS 153 Cb 0.00 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 16pk h LYS 153 CO -0.01 0.82 -0.01 0.82 -2.27 0.00 0.00 179.45 178.81 16pk h ILE 154 N 1.04 1.27 -0.54 2.00 2.04 -1.40 -2.69 117.51 119.23 16pk h ILE 154 Ca 0.26 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 16pk h ILE 154 Cb 0.10 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 16pk h ILE 154 CO -0.03 0.24 0.27 -0.07 0.00 0.00 0.00 178.15 178.55 16pk h LEU 155 N -0.15 0.69 -1.99 1.44 3.38 -1.17 -2.50 115.31 115.01 16pk h LEU 155 Ca 0.02 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.88 16pk h LEU 155 Cb 0.37 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 16pk h LEU 155 CO 0.01 0.61 0.02 0.00 0.09 0.00 0.00 178.44 179.17 16pk h ALA 156 N 1.11 2.02 0.00 1.53 0.00 -0.40 -0.02 119.26 123.49 16pk h ALA 156 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 16pk h ALA 156 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 16pk h ALA 156 CO -0.03 -0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.07 16pk n SER 157 N -4.53 0.16 -0.25 0.00 3.41 -0.94 -2.35 113.62 109.12 16pk n SER 157 Ca -0.02 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.27 16pk n SER 157 Cb 0.11 -0.58 0.56 0.00 -0.26 0.00 0.00 64.21 64.05 16pk n SER 157 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 16pk n TYR 158 N -1.68 0.00 -3.84 7.33 4.01 -0.02 -4.97 117.16 117.99 16pk n TYR 158 Ca 0.03 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.67 16pk n TYR 158 Cb 0.17 -0.09 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 16pk n TYR 158 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 16pk s GLY 159 N -2.28 0.54 -0.17 2.72 0.00 -0.99 -4.90 107.32 102.24 16pk s GLY 159 Ca 0.33 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.17 16pk s GLY 159 CO 0.43 -0.41 -0.16 1.22 0.00 0.00 0.00 173.10 174.18 16pk n ASP 160 N -1.49 2.49 -4.17 1.64 8.00 0.71 -4.96 116.55 118.76 16pk n ASP 160 Ca -0.08 -0.05 -0.21 0.00 0.71 0.00 0.00 54.79 55.16 16pk n ASP 160 Cb 0.60 -0.31 -0.13 0.00 -0.02 0.00 0.00 41.12 41.26 16pk n ASP 160 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 16pk s VAL 161 N -2.35 1.24 -0.14 2.53 0.11 -1.13 -4.96 120.40 115.70 16pk s VAL 161 Ca -0.24 -1.07 -0.03 0.00 -2.93 0.00 0.00 61.98 57.71 16pk s VAL 161 Cb 0.06 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 16pk s VAL 161 CO 0.39 0.03 -0.03 -0.47 -3.33 0.00 0.00 175.10 171.69 16pk s TYR 162 N -0.87 3.04 -0.09 1.54 5.04 -1.26 -0.47 117.35 124.28 16pk s TYR 162 Ca 0.03 -0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.47 16pk s TYR 162 Cb -0.08 -1.93 0.01 0.00 0.35 0.00 0.00 41.96 40.31 16pk s TYR 162 CO 0.01 0.05 -0.16 0.42 -1.34 0.00 0.00 175.55 174.53 16pk s ILE 163 N 0.17 1.46 -0.24 3.14 -1.09 0.50 -1.58 121.20 123.56 16pk s ILE 163 Ca -0.01 -0.65 -0.08 0.00 -2.23 0.00 0.00 60.65 57.68 16pk s ILE 163 Cb -0.14 -1.31 -0.03 0.00 -1.58 0.00 0.00 42.46 39.40 16pk s ILE 163 CO 0.03 0.43 0.08 -0.55 -1.23 0.00 0.00 174.94 173.70 16pk s SER 164 N 0.70 5.36 -0.23 3.58 0.15 -0.07 -0.93 113.70 122.27 16pk s SER 164 Ca -0.13 -0.11 0.23 0.00 0.70 0.00 0.00 55.95 56.64 16pk s SER 164 Cb -0.16 -1.96 0.50 0.00 -1.71 0.00 0.00 66.02 62.69 16pk s SER 164 CO 0.03 0.02 1.12 -0.67 1.20 0.00 0.00 173.24 174.94 16pk n ASP 165 N 4.59 1.49 -3.31 5.45 2.03 0.05 -0.82 116.55 126.04 16pk n ASP 165 Ca -0.16 -2.02 -0.25 0.00 0.52 0.00 0.00 54.79 52.88 16pk n ASP 165 Cb 0.52 -0.46 -0.08 0.00 -0.72 0.00 0.00 41.12 40.38 16pk n ASP 165 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 16pk n ALA 166 N -0.46 2.83 -0.23 -1.67 0.00 -1.18 -4.07 120.51 115.73 16pk n ALA 166 Ca 0.07 -3.61 0.12 0.00 0.00 0.00 0.00 53.44 50.02 16pk n ALA 166 Cb 0.84 -0.82 0.40 0.00 0.00 0.00 0.00 19.45 19.87 16pk n ALA 166 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 16pk h PHE 167 N 4.48 0.74 -0.06 0.00 3.57 -1.92 -2.16 116.94 121.57 16pk h PHE 167 Ca 0.14 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.68 16pk h PHE 167 Cb 0.85 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 16pk h PHE 167 CO 0.42 0.29 0.22 0.78 -2.23 0.00 0.00 178.31 177.79 16pk h GLY 168 N 0.64 0.00 -0.93 2.40 0.00 -1.91 -0.40 103.07 102.87 16pk h GLY 168 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 16pk h GLY 168 CO -0.17 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.07 16pk n THR 169 N -3.19 1.00 0.54 4.70 -2.24 -0.81 -4.58 114.28 109.70 16pk n THR 169 Ca -0.01 -1.00 0.12 0.00 -2.27 0.00 0.00 64.05 60.89 16pk n THR 169 Cb 0.29 0.50 0.45 0.00 -2.10 0.00 0.00 70.33 69.48 16pk n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 16pk n ALA 170 N 0.24 1.90 1.62 6.98 0.00 -0.16 -3.31 120.51 127.78 16pk n ALA 170 Ca 0.08 0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.64 16pk n ALA 170 Cb 0.38 -1.39 0.46 0.00 0.00 0.00 0.00 19.45 18.90 16pk n ALA 170 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 16pk n HIS 171 N -2.04 0.10 -3.90 0.00 1.44 -1.26 -0.29 115.22 109.27 16pk n HIS 171 Ca 0.04 -0.05 -0.11 0.00 -2.01 0.00 0.00 57.72 55.59 16pk n HIS 171 Cb 0.29 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.28 16pk n HIS 171 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 16pk s ARG 172 N -1.90 0.22 0.40 -1.40 6.06 -1.21 -4.61 118.95 116.51 16pk s ARG 172 Ca 0.30 -0.23 -0.25 0.00 -2.50 0.00 0.00 55.73 53.04 16pk s ARG 172 Cb 0.15 0.09 -0.08 0.00 0.06 0.00 0.00 34.95 35.16 16pk s ARG 172 CO 0.24 -0.04 1.17 -0.51 -2.50 0.00 0.00 175.30 173.66 16pk s ASP 173 N -0.71 6.53 0.10 -2.12 1.01 -1.26 -4.62 116.67 115.60 16pk s ASP 173 Ca -0.08 2.36 -0.25 0.00 0.71 0.00 0.00 52.55 55.29 16pk s ASP 173 Cb -0.05 -2.62 0.08 0.00 1.01 0.00 0.00 42.92 41.35 16pk s ASP 173 CO -0.00 -0.67 0.70 -0.94 0.21 0.00 0.00 175.17 174.46 16pk s SER 174 N -1.11 -0.51 0.19 0.27 1.04 -1.26 -4.80 113.70 107.52 16pk s SER 174 Ca 0.57 0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.89 16pk s SER 174 Cb -0.31 0.53 0.19 0.00 0.10 0.00 0.00 66.02 66.53 16pk s SER 174 CO 0.39 -0.85 1.72 0.00 0.98 0.00 0.00 173.24 175.48 16pk h ALA 175 N 2.02 0.56 0.00 5.32 0.00 -1.31 -0.85 119.26 125.00 16pk h ALA 175 Ca -0.30 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 16pk h ALA 175 Cb 1.28 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 16pk h ALA 175 CO 0.36 -0.30 -0.86 1.79 0.00 0.00 0.00 179.25 180.24 16pk h THR 176 N 0.25 1.62 0.06 0.00 1.35 -1.91 -0.76 112.91 113.51 16pk h THR 176 Ca 0.25 -2.96 -0.32 0.00 -0.55 0.00 0.00 66.41 62.83 16pk h THR 176 Cb 0.32 2.59 -0.03 0.00 -1.73 0.00 0.00 68.15 69.30 16pk h THR 176 CO -0.31 0.84 -1.77 0.24 -0.25 0.00 0.00 175.52 174.27 16pk h MET 177 N 0.00 0.12 0.00 4.72 2.07 -1.88 -3.43 114.93 116.54 16pk h MET 177 Ca -0.01 -0.21 0.00 0.00 -2.07 0.00 0.00 59.70 57.41 16pk h MET 177 Cb 1.53 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 31.33 16pk h MET 177 CO 0.11 0.83 -0.71 0.25 1.07 0.00 0.00 176.91 178.46 16pk n THR 178 N -3.25 0.00 0.23 2.22 -2.24 -0.43 -4.70 114.28 106.11 16pk n THR 178 Ca -0.22 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 16pk n THR 178 Cb 1.05 -0.68 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 16pk n THR 178 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 16pk h GLY 179 N 0.00 -0.57 0.45 3.38 0.00 -0.72 -3.11 103.07 102.49 16pk h GLY 179 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.57 16pk h GLY 179 CO 0.00 -0.21 -0.25 -2.22 0.00 0.00 0.00 176.54 173.86 16pk h ILE 180 N -0.68 0.43 -0.24 2.60 2.04 -1.42 -1.85 117.51 118.39 16pk h ILE 180 Ca -0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.81 16pk h ILE 180 Cb 0.49 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 16pk h ILE 180 CO 0.09 0.00 0.16 1.55 0.00 0.00 0.00 178.15 179.95 16pk h PRO 181 N -0.40 0.28 0.20 2.37 0.13 -1.77 0.20 132.00 133.01 16pk h PRO 181 Ca 0.06 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 16pk h PRO 181 Cb 0.47 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.54 16pk h PRO 181 CO -0.21 0.19 -0.09 -0.22 -0.23 0.00 0.00 178.00 177.43 16pk h LYS 182 N 0.29 -0.25 -0.29 0.86 3.64 -1.36 0.21 116.57 119.67 16pk h LYS 182 Ca 0.09 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 16pk h LYS 182 Cb 0.01 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 16pk h LYS 182 CO -0.02 -0.06 -0.04 0.82 -2.27 0.00 0.00 179.45 177.87 16pk h ILE 183 N -0.40 1.27 -0.32 2.00 2.04 -0.95 -3.17 117.51 117.99 16pk h ILE 183 Ca -0.03 -1.04 -0.09 0.00 1.00 0.00 0.00 64.86 64.70 16pk h ILE 183 Cb 0.31 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 16pk h ILE 183 CO 0.04 0.33 -0.19 0.25 0.00 0.00 0.00 178.15 178.58 16pk h LEU 184 N 0.31 0.58 0.00 1.44 5.85 -0.57 -3.47 115.31 119.45 16pk h LEU 184 Ca 0.08 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.61 16pk h LEU 184 Cb 0.51 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.38 16pk h LEU 184 CO 0.02 0.78 0.00 0.61 -0.34 0.00 0.00 178.44 179.51 16pk n GLY 185 N -0.43 0.79 3.37 3.75 0.00 0.74 -5.06 105.19 108.35 16pk n GLY 185 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 16pk n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 16pk s ASN 186 N -2.29 -0.33 -0.30 1.61 2.20 -1.10 -5.03 114.94 109.70 16pk s ASN 186 Ca 0.00 -0.24 -0.22 0.00 -0.94 0.00 0.00 52.86 51.46 16pk s ASN 186 Cb 0.00 0.52 0.18 0.00 -2.00 0.00 0.00 41.25 39.95 16pk s ASN 186 CO 0.00 -0.91 1.33 -0.83 -2.94 0.00 0.00 177.10 173.75 16pk s GLY 187 N -2.80 0.34 0.06 0.45 0.00 -1.26 -4.36 107.32 99.75 16pk s GLY 187 Ca 0.03 3.48 -0.02 0.00 0.00 0.00 0.00 44.72 48.21 16pk s GLY 187 CO -0.11 2.16 -0.01 0.00 0.00 0.00 0.00 173.10 175.14 16pk s ALA 188 N 0.36 0.44 -0.02 3.20 0.00 -0.62 -0.66 121.76 124.47 16pk s ALA 188 Ca 0.02 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.59 16pk s ALA 188 Cb -0.04 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 16pk s ALA 188 CO -0.13 -0.39 0.75 0.00 0.00 0.00 0.00 175.76 176.00 16pk s ALA 189 N -3.92 3.33 1.10 0.00 0.00 -0.20 -0.89 121.76 121.18 16pk s ALA 189 Ca 0.07 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.08 16pk s ALA 189 Cb 0.08 -3.01 0.26 0.00 0.00 0.00 0.00 23.12 20.44 16pk s ALA 189 CO -0.10 -0.05 1.24 0.20 0.00 0.00 0.00 175.76 177.06 16pk s GLY 190 N 0.47 1.71 0.32 0.00 0.00 -0.00 -0.63 107.32 109.20 16pk s GLY 190 Ca 0.39 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.94 16pk s GLY 190 CO 0.21 -0.32 1.95 -0.97 0.00 0.00 0.00 173.10 173.98 16pk h TYR 191 N -2.15 0.85 -0.09 1.90 0.05 -1.95 0.36 116.97 115.93 16pk h TYR 191 Ca -0.44 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.31 16pk h TYR 191 Cb 1.25 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 16pk h TYR 191 CO -1.89 0.58 -0.05 -0.07 -1.05 0.00 0.00 178.16 175.68 16pk h LEU 192 N 0.88 0.21 -0.66 3.88 3.38 -1.91 -2.50 115.31 118.58 16pk h LEU 192 Ca 0.23 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.77 16pk h LEU 192 Cb 0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 16pk h LEU 192 CO -0.04 0.59 0.42 -0.03 0.09 0.00 0.00 178.44 179.46 16pk h MET 193 N -0.17 0.89 -0.52 1.13 4.05 -1.76 -1.61 114.93 116.94 16pk h MET 193 Ca 0.02 -0.07 0.05 0.00 -0.28 0.00 0.00 59.70 59.41 16pk h MET 193 Cb 0.51 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 16pk h MET 193 CO 0.01 0.62 0.27 1.49 0.23 0.00 0.00 176.91 179.53 16pk h GLU 194 N 0.90 0.51 -0.50 0.39 4.81 -0.91 -1.27 114.58 118.51 16pk h GLU 194 Ca 0.24 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 16pk h GLU 194 Cb -0.06 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 16pk h GLU 194 CO -0.05 0.34 0.04 -0.22 -0.73 0.00 0.00 179.01 178.39 16pk h LYS 195 N 0.52 0.85 0.11 1.92 3.64 -1.07 -2.13 116.57 120.41 16pk h LYS 195 Ca 0.23 -0.25 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 16pk h LYS 195 Cb 0.13 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 16pk h LYS 195 CO -0.16 0.86 -0.19 0.93 -2.27 0.00 0.00 179.45 178.62 16pk h GLU 196 N 0.71 -0.35 -0.49 1.90 4.39 -0.87 -0.98 114.58 118.88 16pk h GLU 196 Ca 0.15 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.90 16pk h GLU 196 Cb 0.45 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 16pk h GLU 196 CO 0.02 -0.24 0.27 0.82 -1.16 0.00 0.00 179.01 178.72 16pk h ILE 197 N -0.37 1.00 0.23 3.13 2.04 -1.20 -2.25 117.51 120.09 16pk h ILE 197 Ca 0.02 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 16pk h ILE 197 Cb 0.38 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 16pk h ILE 197 CO -0.10 0.10 -0.11 -1.28 0.00 0.00 0.00 178.15 176.76 16pk h SER 198 N 0.53 -0.26 -0.50 1.72 0.87 -1.10 -2.18 113.55 112.61 16pk h SER 198 Ca 0.21 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 16pk h SER 198 Cb 0.08 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 16pk h SER 198 CO -0.13 -0.18 0.07 1.88 -0.53 0.00 0.00 176.83 177.94 16pk h TYR 199 N -0.31 0.95 -0.02 2.24 0.05 -1.07 -1.18 116.97 117.63 16pk h TYR 199 Ca -0.03 -0.12 -0.13 0.00 0.05 0.00 0.00 58.73 58.50 16pk h TYR 199 Cb 0.24 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 16pk h TYR 199 CO -0.06 0.82 -0.59 0.74 -1.05 0.00 0.00 178.16 178.03 16pk h PHE 200 N 0.85 0.07 -0.54 4.88 0.04 -1.40 -1.59 116.94 119.25 16pk h PHE 200 Ca 0.17 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.83 16pk h PHE 200 Cb 0.40 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 16pk h PHE 200 CO 0.02 0.63 -0.02 0.00 -0.60 0.00 0.00 178.31 178.35 16pk h ALA 201 N 1.36 0.95 -0.12 2.45 0.00 -0.98 -1.68 119.26 121.24 16pk h ALA 201 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 16pk h ALA 201 Cb 1.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 16pk h ALA 201 CO 0.08 0.63 0.07 0.87 0.00 0.00 0.00 179.25 180.90 16pk h LYS 202 N 0.86 0.17 0.00 0.00 1.57 -0.80 -1.48 116.57 116.89 16pk h LYS 202 Ca 0.16 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 16pk h LYS 202 Cb 0.53 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 16pk h LYS 202 CO 0.03 0.19 -0.26 -0.24 -0.57 0.00 0.00 179.45 178.60 16pk h VAL 203 N 0.10 0.97 -0.01 0.50 3.04 -0.93 -2.14 116.25 117.77 16pk h VAL 203 Ca 0.04 -0.96 0.00 0.00 -1.01 0.00 0.00 66.70 64.78 16pk h VAL 203 Cb 0.07 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 16pk h VAL 203 CO -0.01 0.25 -0.08 0.18 -1.01 0.00 0.00 177.57 176.90 16pk n LEU 204 N -3.92 1.54 0.00 3.16 4.77 -0.66 -4.52 117.00 117.37 16pk n LEU 204 Ca -0.02 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 16pk n LEU 204 Cb 0.34 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 16pk n LEU 204 CO 0.35 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 16pk n GLY 205 N 1.24 0.75 2.26 -0.72 0.00 -0.58 -4.99 105.19 103.16 16pk n GLY 205 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 16pk n GLY 205 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 16pk n ASN 206 N 0.00 1.06 -4.72 1.61 2.85 -1.24 -5.10 115.26 109.73 16pk n ASN 206 Ca 0.00 -2.92 -0.32 0.00 -0.11 0.00 0.00 54.58 51.23 16pk n ASN 206 Cb 0.00 -0.64 0.12 0.00 1.24 0.00 0.00 39.78 40.50 16pk n ASN 206 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 16pk s PRO 207 N -1.78 1.80 0.27 1.20 0.04 -1.24 -4.93 135.00 130.36 16pk s PRO 207 Ca 0.38 1.49 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 16pk s PRO 207 Cb 0.22 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.82 16pk s PRO 207 CO -0.09 -2.03 1.65 -2.14 0.04 0.00 0.00 177.00 174.43 16pk s PRO 208 N -4.48 4.11 0.19 0.56 0.02 -1.26 -4.98 135.00 129.16 16pk s PRO 208 Ca 0.67 2.61 0.05 0.00 0.02 0.00 0.00 61.00 64.36 16pk s PRO 208 Cb -0.23 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 16pk s PRO 208 CO 0.53 -0.69 0.17 1.03 -0.33 0.00 0.00 177.00 177.71 16pk s ARG 209 N 0.06 2.98 0.52 5.54 1.81 -1.26 -3.14 118.95 125.45 16pk s ARG 209 Ca 0.68 -0.89 -0.21 0.00 -1.72 0.00 0.00 55.73 53.59 16pk s ARG 209 Cb -0.49 -2.66 -0.06 0.00 -0.45 0.00 0.00 34.95 31.29 16pk s ARG 209 CO 0.43 0.46 1.18 -2.14 -0.68 0.00 0.00 175.30 174.55 16pk s PRO 210 N -3.35 3.42 -0.13 3.54 0.02 -1.26 -4.37 135.00 132.87 16pk s PRO 210 Ca 0.32 1.76 0.01 0.00 0.02 0.00 0.00 61.00 63.11 16pk s PRO 210 Cb -0.09 -2.16 -0.01 0.00 0.02 0.00 0.00 34.50 32.26 16pk s PRO 210 CO 0.24 -0.83 -0.16 -1.17 -0.33 0.00 0.00 177.00 174.75 16pk s LEU 211 N -3.54 2.47 -0.09 -5.54 2.96 -1.26 -0.56 118.68 113.12 16pk s LEU 211 Ca 0.70 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 16pk s LEU 211 Cb -0.28 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 16pk s LEU 211 CO 0.33 0.13 -0.12 0.54 -1.32 0.00 0.00 176.35 175.90 16pk s VAL 212 N 0.56 3.23 -0.21 1.68 0.11 -0.63 -1.20 120.40 123.95 16pk s VAL 212 Ca -0.10 -0.63 -0.05 0.00 -2.93 0.00 0.00 61.98 58.27 16pk s VAL 212 Cb -0.16 -2.32 -0.02 0.00 -1.53 0.00 0.00 36.38 32.35 16pk s VAL 212 CO 0.04 0.56 0.00 0.00 -3.33 0.00 0.00 175.10 172.37 16pk s ALA 213 N -0.28 3.02 -0.22 1.54 0.00 -0.65 -1.14 121.76 124.03 16pk s ALA 213 Ca 0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 16pk s ALA 213 Cb -0.13 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 16pk s ALA 213 CO 0.03 -0.20 0.06 0.42 0.00 0.00 0.00 175.76 176.06 16pk s ILE 214 N 1.09 4.36 -0.07 0.00 1.09 0.55 -1.14 121.20 127.07 16pk s ILE 214 Ca 0.02 -0.17 0.03 0.00 -1.10 0.00 0.00 60.65 59.44 16pk s ILE 214 Cb -0.14 -3.01 0.01 0.00 -1.06 0.00 0.00 42.46 38.26 16pk s ILE 214 CO 0.01 0.38 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.39 16pk s VAL 215 N 1.21 1.40 0.00 2.92 1.01 0.21 -1.33 120.40 125.81 16pk s VAL 215 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.38 16pk s VAL 215 Cb -0.14 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.99 16pk s VAL 215 CO 0.03 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.15 16pk n GLY 216 N 3.67 5.56 1.18 4.51 0.00 0.06 -0.55 105.19 119.62 16pk n GLY 216 Ca -0.21 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.70 16pk n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 16pk n GLY 217 N 1.40 -2.75 0.11 -0.02 0.00 -0.34 -4.66 105.19 98.92 16pk n GLY 217 Ca 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 46.02 44.16 16pk n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 16pk h ALA 218 N 0.00 0.64 -3.56 4.61 0.00 -1.92 0.01 119.26 119.03 16pk h ALA 218 Ca 0.00 -0.58 -0.23 0.00 0.00 0.00 0.00 54.91 54.10 16pk h ALA 218 Cb 0.00 0.14 -0.26 0.00 0.00 0.00 0.00 17.79 17.67 16pk h ALA 218 CO 0.00 0.65 -0.72 0.15 0.00 0.00 0.00 179.25 179.33 16pk s LYS 219 N -3.02 0.16 0.21 0.00 1.02 -1.26 -3.94 119.74 112.90 16pk s LYS 219 Ca -0.01 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 55.79 16pk s LYS 219 Cb 0.08 -0.05 0.17 0.00 -0.52 0.00 0.00 37.83 37.51 16pk s LYS 219 CO 0.79 0.01 1.52 -0.24 -0.92 0.00 0.00 175.35 176.51 16pk h VAL 220 N 4.98 1.36 -0.79 3.17 3.04 -1.88 -3.06 116.25 123.08 16pk h VAL 220 Ca -0.27 -1.94 0.10 0.00 -1.01 0.00 0.00 66.70 63.59 16pk h VAL 220 Cb 1.21 1.94 -0.05 0.00 -2.01 0.00 0.00 31.29 32.37 16pk h VAL 220 CO 0.48 0.58 0.51 0.77 -1.01 0.00 0.00 177.57 178.91 16pk h SER 221 N 0.28 0.63 0.82 3.17 4.64 -1.97 -0.03 113.55 121.08 16pk h SER 221 Ca -0.01 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 16pk h SER 221 Cb 1.13 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 16pk h SER 221 CO 0.10 0.37 0.00 0.44 -0.87 0.00 0.00 176.83 176.87 16pk h ASP 222 N 0.69 0.00 -0.14 4.97 3.32 -1.96 -3.08 116.42 120.22 16pk h ASP 222 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 16pk h ASP 222 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 16pk h ASP 222 CO -0.14 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.67 16pk n LYS 223 N -2.45 1.42 -0.26 3.56 4.76 -0.06 -4.71 118.16 120.43 16pk n LYS 223 Ca 0.02 -1.51 -0.05 0.00 -2.87 0.00 0.00 58.31 53.90 16pk n LYS 223 Cb 0.25 -1.24 0.06 0.00 -1.84 0.00 0.00 35.03 32.26 16pk n LYS 223 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 16pk h ILE 224 N 2.22 1.20 -0.09 -0.18 2.04 -1.38 -1.36 117.51 119.96 16pk h ILE 224 Ca 0.00 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.36 16pk h ILE 224 Cb 0.58 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 16pk h ILE 224 CO 0.00 0.20 -0.35 1.56 0.00 0.00 0.00 178.15 179.56 16pk h GLN 225 N 0.99 0.17 0.00 2.37 4.20 -1.84 0.15 115.11 121.16 16pk h GLN 225 Ca 0.26 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 16pk h GLN 225 Cb -0.07 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.70 16pk h GLN 225 CO -0.05 0.51 -0.00 1.25 -0.67 0.00 0.00 178.83 179.86 16pk h LEU 226 N 0.15 -0.00 -0.75 1.46 5.85 -1.74 -2.14 115.31 118.14 16pk h LEU 226 Ca 0.02 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 16pk h LEU 226 Cb 0.69 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 16pk h LEU 226 CO 0.05 0.14 0.43 -0.07 -0.34 0.00 0.00 178.44 178.66 16pk h LEU 227 N -0.15 0.92 -0.62 2.25 3.38 -0.84 0.16 115.31 120.41 16pk h LEU 227 Ca -0.00 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.01 16pk h LEU 227 Cb 0.15 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 16pk h LEU 227 CO 0.00 0.73 0.13 0.44 0.09 0.00 0.00 178.44 179.83 16pk h ASP 228 N 1.03 -0.01 0.54 -0.43 3.32 -0.52 -0.43 116.42 119.92 16pk h ASP 228 Ca 0.27 0.12 -0.29 0.00 0.02 0.00 0.00 57.03 57.15 16pk h ASP 228 Cb -0.00 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 16pk h ASP 228 CO -0.05 -0.00 -1.43 -1.13 -1.72 0.00 0.00 179.24 174.91 16pk h ASN 229 N 0.25 0.34 0.92 6.45 -0.00 -0.94 -3.40 115.58 119.21 16pk h ASN 229 Ca 0.33 -0.44 -0.12 0.00 -0.00 0.00 0.00 56.30 56.07 16pk h ASN 229 Cb 0.50 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 38.69 16pk h ASN 229 CO -0.42 1.36 -1.15 0.24 -0.00 0.00 0.00 177.43 177.46 16pk h MET 230 N 0.06 0.00 -0.99 6.67 2.86 -0.43 -3.39 114.93 119.71 16pk h MET 230 Ca -0.20 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.64 16pk h MET 230 Cb 1.98 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.54 16pk h MET 230 CO 0.16 0.24 0.62 1.25 1.06 0.00 0.00 176.91 180.24 16pk h LEU 231 N 0.00 0.70 0.00 1.22 6.46 -1.29 0.99 115.31 123.39 16pk h LEU 231 Ca -0.10 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 16pk h LEU 231 Cb 1.40 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 16pk h LEU 231 CO 0.04 0.24 0.00 0.00 -0.62 0.00 0.00 178.44 178.09 16pk n GLN 232 N -4.72 0.62 0.00 1.25 3.00 -1.26 -3.58 117.38 112.69 16pk n GLN 232 Ca 0.23 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.26 16pk n GLN 232 Cb 0.62 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.34 16pk n GLN 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 16pk n ARG 233 N -1.19 3.44 -4.02 -1.09 1.74 0.32 -5.05 116.66 110.81 16pk n ARG 233 Ca 0.18 -0.23 -0.24 0.00 -0.77 0.00 0.00 57.85 56.78 16pk n ARG 233 Cb 0.20 -0.94 -0.06 0.00 -1.02 0.00 0.00 32.46 30.63 16pk n ARG 233 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 16pk s ILE 234 N -1.53 2.42 -0.07 0.55 -4.36 -1.10 -4.85 121.20 112.26 16pk s ILE 234 Ca 0.05 -1.63 0.06 0.00 -0.26 0.00 0.00 60.65 58.87 16pk s ILE 234 Cb 0.06 -3.00 -0.09 0.00 1.25 0.00 0.00 42.46 40.69 16pk s ILE 234 CO 0.28 -0.01 0.02 0.47 0.24 0.00 0.00 174.94 175.94 16pk n ASP 235 N -1.29 3.26 -4.10 4.36 8.00 -0.34 -4.82 116.55 121.62 16pk n ASP 235 Ca -0.00 -0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 16pk n ASP 235 Cb 0.64 0.64 -0.13 0.00 -0.02 0.00 0.00 41.12 42.25 16pk n ASP 235 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 16pk s TYR 236 N -2.17 1.00 -0.18 1.24 2.02 -1.10 -1.06 117.35 117.10 16pk s TYR 236 Ca -0.04 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.28 16pk s TYR 236 Cb 0.02 -0.59 0.05 0.00 -0.40 0.00 0.00 41.96 41.04 16pk s TYR 236 CO 0.29 0.00 0.01 -1.17 -1.57 0.00 0.00 175.55 173.11 16pk s LEU 237 N -1.17 1.35 -0.23 -1.29 2.96 0.22 -1.64 118.68 118.89 16pk s LEU 237 Ca -0.01 -0.77 -0.08 0.00 -0.22 0.00 0.00 54.13 53.05 16pk s LEU 237 Cb -0.08 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 16pk s LEU 237 CO 0.01 -0.27 0.09 -0.76 -1.32 0.00 0.00 176.35 174.10 16pk s LEU 238 N 1.78 3.73 -0.12 -0.68 1.43 -0.29 -0.48 118.68 124.05 16pk s LEU 238 Ca -0.01 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 16pk s LEU 238 Cb -0.17 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 16pk s LEU 238 CO -0.07 0.05 -0.12 -0.63 0.23 0.00 0.00 176.35 175.80 16pk s ILE 239 N 1.11 3.13 0.00 -0.59 1.01 -0.55 -0.62 121.20 124.69 16pk s ILE 239 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.06 16pk s ILE 239 Cb -0.14 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.02 16pk s ILE 239 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.12 16pk n GLY 240 N 3.36 5.33 7.00 6.18 0.00 0.29 -3.98 105.19 123.37 16pk n GLY 240 Ca -0.18 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.27 16pk n GLY 240 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 16pk n GLY 241 N 0.89 0.02 0.20 -0.02 0.00 -0.63 -2.81 105.19 102.83 16pk n GLY 241 Ca 0.00 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.21 16pk n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 16pk h ALA 242 N -0.85 1.00 -0.80 4.61 0.00 -1.22 -2.98 119.26 119.02 16pk h ALA 242 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.03 16pk h ALA 242 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 16pk h ALA 242 CO 0.00 0.00 0.53 1.98 0.00 0.00 0.00 179.25 181.76 16pk h MET 243 N 0.00 0.61 -0.27 0.00 1.85 -1.48 -2.06 114.93 113.58 16pk h MET 243 Ca 0.00 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 16pk h MET 243 Cb 0.62 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.50 16pk h MET 243 CO 0.00 0.41 0.05 0.00 -0.40 0.00 0.00 176.91 176.96 16pk h ALA 244 N 1.61 1.59 -0.21 0.39 0.00 -1.35 -3.07 119.26 118.22 16pk h ALA 244 Ca 0.39 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 16pk h ALA 244 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 16pk h ALA 244 CO -0.15 0.31 -0.25 1.88 0.00 0.00 0.00 179.25 181.05 16pk h TYR 245 N 0.39 0.42 -0.77 0.00 0.05 -1.56 -0.65 116.97 114.85 16pk h TYR 245 Ca 0.09 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 16pk h TYR 245 Cb 0.18 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 16pk h TYR 245 CO 0.00 0.60 0.31 1.15 -1.05 0.00 0.00 178.16 179.18 16pk h THR 246 N 0.34 1.26 -0.06 -2.88 2.02 -1.64 0.66 112.91 112.61 16pk h THR 246 Ca 0.05 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 16pk h THR 246 Cb 0.62 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 16pk h THR 246 CO 0.04 0.33 -0.01 -0.26 0.37 0.00 0.00 175.52 175.99 16pk h PHE 247 N 1.12 0.13 -0.86 3.16 -1.00 -1.47 -1.27 116.94 116.76 16pk h PHE 247 Ca 0.26 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.00 16pk h PHE 247 Cb 0.21 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 39.69 16pk h PHE 247 CO 0.02 0.43 0.48 -0.07 -1.61 0.00 0.00 178.31 177.56 16pk h LEU 248 N -0.20 1.06 -0.36 1.54 3.38 -0.97 -1.21 115.31 118.55 16pk h LEU 248 Ca 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 16pk h LEU 248 Cb 0.38 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 16pk h LEU 248 CO 0.01 0.85 0.10 0.50 0.09 0.00 0.00 178.44 179.99 16pk h LYS 249 N 1.19 0.56 -0.99 1.13 3.64 -0.81 -0.72 116.57 120.57 16pk h LYS 249 Ca 0.30 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 16pk h LYS 249 Cb 0.01 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.70 16pk h LYS 249 CO -0.05 0.59 0.65 0.00 -2.27 0.00 0.00 179.45 178.37 16pk h ALA 250 N 0.94 1.31 0.00 5.00 0.00 -0.82 -1.28 119.26 124.41 16pk h ALA 250 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 16pk h ALA 250 Cb 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 16pk h ALA 250 CO -0.00 0.54 -0.24 1.96 0.00 0.00 0.00 179.25 181.51 16pk h GLN 251 N 1.25 0.00 0.00 0.00 4.20 -0.99 -3.47 115.11 116.10 16pk h GLN 251 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 16pk h GLN 251 Cb -0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 16pk h GLN 251 CO -0.12 0.24 0.00 0.41 -0.67 0.00 0.00 178.83 178.68 16pk n GLY 252 N -0.11 0.99 3.87 3.46 0.00 -0.48 -5.10 105.19 107.81 16pk n GLY 252 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 16pk n GLY 252 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 16pk s TYR 253 N -1.73 3.45 -0.01 1.61 2.02 -0.33 -5.01 117.35 117.35 16pk s TYR 253 Ca 0.00 1.13 -0.27 0.00 -0.37 0.00 0.00 57.07 57.56 16pk s TYR 253 Cb 0.00 -2.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 16pk s TYR 253 CO 0.00 -0.11 0.86 -1.12 -1.57 0.00 0.00 175.55 173.61 16pk s SER 254 N -3.01 7.24 0.00 2.29 0.01 -1.26 -4.25 113.70 114.72 16pk s SER 254 Ca 0.53 1.49 0.05 0.00 1.31 0.00 0.00 55.95 59.33 16pk s SER 254 Cb -0.10 -2.51 0.10 0.00 0.21 0.00 0.00 66.02 63.72 16pk s SER 254 CO 0.29 -0.17 0.92 2.30 0.41 0.00 0.00 173.24 176.99 16pk n ILE 255 N 3.66 0.55 -0.31 1.44 -5.35 -1.26 -0.48 119.36 117.61 16pk n ILE 255 Ca 0.02 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 16pk n ILE 255 Cb 0.51 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 16pk n ILE 255 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 16pk n GLY 256 N 0.13 3.37 1.59 3.28 0.00 -1.25 -1.69 105.19 110.62 16pk n GLY 256 Ca 0.04 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.03 16pk n GLY 256 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 16pk n LYS 257 N 14.00 4.00 -1.92 1.61 4.76 0.48 -4.88 118.16 136.21 16pk n LYS 257 Ca 0.00 -2.59 -0.38 0.00 -2.87 0.00 0.00 58.31 52.48 16pk n LYS 257 Cb 0.00 -2.05 0.03 0.00 -1.84 0.00 0.00 35.03 31.17 16pk n LYS 257 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 16pk s SER 258 N -0.71 5.45 0.22 4.39 0.01 -0.68 -4.71 113.70 117.67 16pk s SER 258 Ca 0.45 2.61 -0.31 0.00 1.31 0.00 0.00 55.95 60.01 16pk s SER 258 Cb 0.33 -2.62 -0.11 0.00 0.21 0.00 0.00 66.02 63.83 16pk s SER 258 CO 0.16 -1.44 1.55 -0.75 0.41 0.00 0.00 173.24 173.18 16pk s LYS 259 N -2.92 4.20 0.26 12.44 2.20 -1.26 -4.99 119.74 129.67 16pk s LYS 259 Ca 0.71 2.42 -0.18 0.00 -0.36 0.00 0.00 55.97 58.55 16pk s LYS 259 Cb -0.36 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 16pk s LYS 259 CO 0.43 -0.58 0.63 0.00 -0.36 0.00 0.00 175.35 175.47 16pk s GLU 261 N -3.94 1.40 0.52 0.00 2.02 -1.26 -4.97 118.70 112.48 16pk s GLU 261 Ca 0.14 -1.64 0.18 0.00 0.02 0.00 0.00 54.97 53.66 16pk s GLU 261 Cb -0.04 -2.93 1.30 0.00 0.10 0.00 0.00 34.13 32.56 16pk s GLU 261 CO 0.06 -0.90 2.12 1.49 0.02 0.00 0.00 175.26 178.05 16pk h GLU 262 N 7.73 0.00 0.00 1.61 4.81 -2.00 0.35 114.58 127.07 16pk h GLU 262 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 16pk h GLU 262 Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 16pk h GLU 262 CO 0.50 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.65 16pk n SER 263 N -4.50 0.00 -0.39 1.04 3.41 -1.26 -2.92 113.62 108.99 16pk n SER 263 Ca -0.01 0.20 0.06 0.00 -0.26 0.00 0.00 58.87 58.87 16pk n SER 263 Cb 0.19 -0.36 0.14 0.00 -0.26 0.00 0.00 64.21 63.91 16pk n SER 263 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 16pk n LYS 264 N -1.36 2.51 -0.14 4.33 4.76 0.11 -4.69 118.16 123.69 16pk n LYS 264 Ca 0.07 -2.24 -0.10 0.00 -2.87 0.00 0.00 58.31 53.17 16pk n LYS 264 Cb 0.16 -1.40 -0.01 0.00 -1.84 0.00 0.00 35.03 31.93 16pk n LYS 264 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 16pk h LEU 265 N 0.93 0.63 -0.54 -0.35 3.38 -1.58 -0.15 115.31 117.62 16pk h LEU 265 Ca 0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 16pk h LEU 265 Cb 0.92 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 16pk h LEU 265 CO 0.06 0.72 0.23 -0.33 0.09 0.00 0.00 178.44 179.21 16pk h GLU 266 N 0.52 0.79 -0.38 1.13 5.08 -1.84 -1.94 114.58 117.93 16pk h GLU 266 Ca 0.12 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 16pk h GLU 266 Cb 0.35 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 16pk h GLU 266 CO 0.01 0.68 0.17 0.35 -1.00 0.00 0.00 179.01 179.21 16pk h PHE 267 N 0.73 0.32 -0.47 4.33 3.57 -1.80 -0.76 116.94 122.86 16pk h PHE 267 Ca 0.18 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.75 16pk h PHE 267 Cb 0.16 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 16pk h PHE 267 CO 0.00 0.16 0.19 0.00 -2.23 0.00 0.00 178.31 176.43 16pk h ALA 268 N 1.21 0.58 -0.54 2.41 0.00 -0.60 0.13 119.26 122.46 16pk h ALA 268 Ca 0.17 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 16pk h ALA 268 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 16pk h ALA 268 CO -0.13 -0.20 0.05 0.00 0.00 0.00 0.00 179.25 178.97 16pk h ARG 269 N 0.37 0.87 -0.45 0.00 3.08 -0.93 -1.70 114.38 115.63 16pk h ARG 269 Ca 0.22 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 16pk h ARG 269 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 16pk h ARG 269 CO -0.20 0.84 -0.03 0.77 -1.07 0.00 0.00 179.97 180.28 16pk h SER 270 N 0.82 0.80 -0.11 7.04 0.02 -0.51 -1.89 113.55 119.70 16pk h SER 270 Ca 0.16 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 16pk h SER 270 Cb 0.42 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 16pk h SER 270 CO 0.01 0.93 0.07 0.25 -1.14 0.00 0.00 176.83 176.95 16pk h LEU 271 N 0.65 0.13 -1.08 5.07 7.12 -0.43 0.19 115.31 126.97 16pk h LEU 271 Ca 0.12 -0.03 0.05 0.00 0.13 0.00 0.00 57.88 58.16 16pk h LEU 271 Cb 0.53 -0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 40.57 16pk h LEU 271 CO 0.03 0.13 0.62 -0.07 -0.13 0.00 0.00 178.44 179.01 16pk h LEU 272 N 0.13 0.99 -0.13 2.25 3.38 -1.25 0.12 115.31 120.81 16pk h LEU 272 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 16pk h LEU 272 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 16pk h LEU 272 CO -0.01 0.65 0.03 0.50 0.09 0.00 0.00 178.44 179.71 16pk h LYS 273 N 1.14 0.21 -0.71 1.13 1.63 -0.69 -1.99 116.57 117.29 16pk h LYS 273 Ca 0.40 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 60.16 16pk h LYS 273 Cb 0.12 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 16pk h LYS 273 CO -0.14 0.37 0.46 0.87 -3.45 0.00 0.00 179.45 177.56 16pk h LYS 274 N 0.01 0.91 -0.49 1.90 1.57 0.10 -1.17 116.57 119.39 16pk h LYS 274 Ca 0.04 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 16pk h LYS 274 Cb 0.26 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 16pk h LYS 274 CO 0.00 0.60 0.29 0.00 -0.57 0.00 0.00 179.45 179.77 16pk h ALA 275 N 1.27 0.63 -0.38 3.86 0.00 -0.65 -0.61 119.26 123.38 16pk h ALA 275 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 16pk h ALA 275 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 16pk h ALA 275 CO -0.07 0.12 0.22 0.93 0.00 0.00 0.00 179.25 180.45 16pk h GLU 276 N 0.66 0.53 -0.93 0.00 5.08 -0.98 0.15 114.58 119.09 16pk h GLU 276 Ca 0.18 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 16pk h GLU 276 Cb 0.00 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.08 16pk h GLU 276 CO -0.03 0.42 0.58 -0.44 -1.00 0.00 0.00 179.01 178.54 16pk h ASP 277 N 0.50 0.92 -0.02 1.42 5.19 -0.78 0.77 116.42 124.41 16pk h ASP 277 Ca 0.14 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 16pk h ASP 277 Cb 0.04 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.37 16pk h ASP 277 CO -0.02 0.58 0.00 0.54 -3.12 0.00 0.00 179.24 177.21 16pk n ARG 278 N -4.58 1.27 -2.58 3.56 1.74 -0.28 -4.91 116.66 110.90 16pk n ARG 278 Ca 0.14 -0.40 -0.18 0.00 -0.77 0.00 0.00 57.85 56.65 16pk n ARG 278 Cb 0.20 -1.45 0.01 0.00 -1.02 0.00 0.00 32.46 30.20 16pk n ARG 278 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 16pk n LYS 279 N -0.48 -2.57 -3.27 5.56 5.02 0.26 -5.00 118.16 117.68 16pk n LYS 279 Ca 0.20 0.79 -0.38 0.00 -2.02 0.00 0.00 58.31 56.89 16pk n LYS 279 Cb 0.20 -5.26 -0.06 0.00 -0.02 0.00 0.00 35.03 29.89 16pk n LYS 279 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 16pk s VAL 280 N -2.94 5.09 -0.40 -0.18 1.01 0.35 -4.98 120.40 118.34 16pk s VAL 280 Ca 0.11 1.08 -0.24 0.00 0.00 0.00 0.00 61.98 62.93 16pk s VAL 280 Cb -0.05 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.48 16pk s VAL 280 CO 0.14 0.36 0.82 -1.10 0.00 0.00 0.00 175.10 175.32 16pk s GLN 281 N 0.31 3.63 -0.13 2.72 -0.21 -0.22 -4.27 119.66 121.49 16pk s GLN 281 Ca 0.28 0.19 -0.12 0.00 0.02 0.00 0.00 55.36 55.73 16pk s GLN 281 Cb -0.16 -3.86 -0.05 0.00 1.00 0.00 0.00 33.01 29.94 16pk s GLN 281 CO 0.13 -0.99 0.28 0.08 -2.12 0.00 0.00 175.29 172.67 16pk s VAL 282 N 3.29 5.30 -0.09 1.09 1.01 -1.26 -0.61 120.40 129.12 16pk s VAL 282 Ca 0.32 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.83 16pk s VAL 282 Cb -0.12 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.68 16pk s VAL 282 CO 0.20 0.47 -0.12 -0.63 0.00 0.00 0.00 175.10 175.02 16pk s ILE 283 N -0.08 1.20 0.39 2.22 1.01 0.36 -4.95 121.20 121.36 16pk s ILE 283 Ca 0.17 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.43 16pk s ILE 283 Cb -0.13 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 16pk s ILE 283 CO 0.05 0.38 0.30 -0.76 0.00 0.00 0.00 174.94 174.91 16pk s LEU 284 N 1.09 3.37 0.43 2.97 1.43 -1.26 -1.49 118.68 125.22 16pk s LEU 284 Ca -0.06 -0.76 -0.26 0.00 -1.03 0.00 0.00 54.13 52.02 16pk s LEU 284 Cb -0.14 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.04 16pk s LEU 284 CO -0.02 -0.53 1.46 -2.84 0.23 0.00 0.00 176.35 174.65 16pk s PRO 285 N -4.03 3.82 0.00 1.29 0.02 -1.26 -4.90 135.00 129.95 16pk s PRO 285 Ca 0.44 2.49 0.12 0.00 0.02 0.00 0.00 61.00 64.08 16pk s PRO 285 Cb -0.02 -2.76 0.15 0.00 0.02 0.00 0.00 34.50 31.88 16pk s PRO 285 CO 0.26 -0.73 0.98 0.44 -0.33 0.00 0.00 177.00 177.61 16pk n ILE 286 N 0.02 0.21 -3.58 2.83 -5.35 -1.26 -4.63 119.36 107.61 16pk n ILE 286 Ca 0.04 -0.61 -0.06 0.00 -0.27 0.00 0.00 62.75 61.85 16pk n ILE 286 Cb 0.41 1.09 -0.02 0.00 -1.74 0.00 0.00 39.64 39.38 16pk n ILE 286 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 16pk s ASP 287 N -1.02 -0.25 0.06 7.28 -4.77 -1.26 -3.14 116.67 113.57 16pk s ASP 287 Ca 0.17 -0.09 -0.05 0.00 -3.30 0.00 0.00 52.55 49.27 16pk s ASP 287 Cb 0.11 0.33 -0.02 0.00 -1.09 0.00 0.00 42.92 42.25 16pk s ASP 287 CO 0.16 -0.55 0.09 -1.00 0.70 0.00 0.00 175.17 174.56 16pk s HIS 288 N -2.92 0.29 -0.22 2.11 3.76 -1.26 -1.75 115.29 115.29 16pk s HIS 288 Ca 0.08 -0.71 -0.07 0.00 -0.15 0.00 0.00 55.06 54.21 16pk s HIS 288 Cb -0.00 -0.19 -0.03 0.00 1.11 0.00 0.00 32.58 33.46 16pk s HIS 288 CO -0.05 -0.43 0.06 0.08 -0.85 0.00 0.00 174.74 173.54 16pk s VAL 289 N -3.48 4.41 0.24 -0.90 1.01 -0.52 -0.91 120.40 120.25 16pk s VAL 289 Ca 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.86 16pk s VAL 289 Cb 0.04 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 16pk s VAL 289 CO -0.09 0.38 0.10 0.00 0.00 0.00 0.00 175.10 175.49 16pk s HIS 291 N -3.83 0.17 -1.28 0.00 2.46 -0.74 -0.73 115.29 111.33 16pk s HIS 291 Ca 0.37 -0.53 0.27 0.00 0.47 0.00 0.00 55.06 55.65 16pk s HIS 291 Cb 0.08 0.18 1.32 0.00 -0.13 0.00 0.00 32.58 34.03 16pk s HIS 291 CO 0.13 -0.86 1.92 0.25 -2.47 0.00 0.00 174.74 173.71 16pk n THR 292 N -0.30 0.11 -3.74 0.89 -2.24 -1.26 -0.78 114.28 106.96 16pk n THR 292 Ca -0.07 0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 16pk n THR 292 Cb 0.62 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 16pk n THR 292 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 16pk s GLU 293 N -2.72 1.41 -1.48 -0.78 -1.05 -1.26 -4.82 118.70 108.00 16pk s GLU 293 Ca 0.22 -0.87 -0.13 0.00 -0.15 0.00 0.00 54.97 54.04 16pk s GLU 293 Cb 0.18 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.40 16pk s GLU 293 CO 0.45 -0.60 2.41 0.34 0.95 0.00 0.00 175.26 178.80 16pk n PHE 294 N -0.35 3.19 -3.83 4.83 7.35 -1.26 -4.82 117.46 122.56 16pk n PHE 294 Ca -0.10 -2.97 -0.10 0.00 -0.76 0.00 0.00 57.45 53.53 16pk n PHE 294 Cb 0.62 -2.51 -0.07 0.00 0.35 0.00 0.00 39.48 37.87 16pk n PHE 294 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 16pk s LYS 295 N 2.99 0.80 0.13 -4.13 1.02 -1.26 -5.15 119.74 114.13 16pk s LYS 295 Ca 0.53 -0.77 -0.28 0.00 0.02 0.00 0.00 55.97 55.47 16pk s LYS 295 Cb 0.15 0.33 -0.07 0.00 -0.52 0.00 0.00 37.83 37.73 16pk s LYS 295 CO -0.08 -0.25 0.89 0.00 -0.92 0.00 0.00 175.35 175.00 16pk s ALA 296 N -3.23 3.31 0.02 5.17 0.00 -1.26 -4.98 121.76 120.79 16pk s ALA 296 Ca -0.00 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.46 16pk s ALA 296 Cb 0.02 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 16pk s ALA 296 CO -0.08 0.07 -0.04 0.54 0.00 0.00 0.00 175.76 176.26 16pk s VAL 297 N -0.36 0.28 0.27 0.00 0.11 -1.26 -5.07 120.40 114.37 16pk s VAL 297 Ca 0.43 -0.62 -0.02 0.00 -2.93 0.00 0.00 61.98 58.84 16pk s VAL 297 Cb -0.23 -0.33 0.15 0.00 -1.53 0.00 0.00 36.38 34.44 16pk s VAL 297 CO 0.28 -0.23 1.82 0.44 -3.33 0.00 0.00 175.10 174.08 16pk h ASP 298 N 5.21 0.80 -2.32 3.54 3.32 -2.00 -3.35 116.42 121.62 16pk h ASP 298 Ca -0.31 -0.14 -0.59 0.00 0.02 0.00 0.00 57.03 56.01 16pk h ASP 298 Cb 1.20 -0.21 -0.41 0.00 0.22 0.00 0.00 39.33 40.14 16pk h ASP 298 CO 0.45 0.78 -0.75 -1.20 -1.72 0.00 0.00 179.24 176.79 16pk n SER 299 N -4.27 2.35 -4.69 6.45 7.64 -1.26 -5.04 113.62 114.79 16pk n SER 299 Ca 0.04 -3.12 -0.32 0.00 1.01 0.00 0.00 58.87 56.48 16pk n SER 299 Cb 0.23 -0.67 0.14 0.00 -1.01 0.00 0.00 64.21 62.90 16pk n SER 299 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 16pk s PRO 300 N -1.74 1.42 0.28 1.43 0.02 -1.26 -4.95 135.00 130.20 16pk s PRO 300 Ca 0.35 1.59 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 16pk s PRO 300 Cb 0.11 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.77 16pk s PRO 300 CO -0.08 -2.34 1.12 -1.17 -0.33 0.00 0.00 177.00 174.20 16pk s LEU 301 N -6.14 4.54 -0.16 -5.54 0.20 0.09 -4.81 118.68 106.86 16pk s LEU 301 Ca 0.69 2.31 0.01 0.00 0.69 0.00 0.00 54.13 57.82 16pk s LEU 301 Cb -0.24 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 41.89 16pk s LEU 301 CO 0.54 -0.18 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.62 16pk s ILE 302 N -1.14 2.48 0.58 6.68 1.01 -1.26 0.35 121.20 129.90 16pk s ILE 302 Ca 0.45 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 16pk s ILE 302 Cb -0.33 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 16pk s ILE 302 CO 0.42 0.52 0.98 0.42 0.00 0.00 0.00 174.94 177.28 16pk s THR 303 N 0.96 4.72 -0.02 2.92 -4.23 -0.09 -4.97 115.64 114.92 16pk s THR 303 Ca -0.03 0.82 0.12 0.00 -1.18 0.00 0.00 61.69 61.42 16pk s THR 303 Cb -0.15 -3.85 -0.14 0.00 1.34 0.00 0.00 72.50 69.71 16pk s THR 303 CO -0.03 -1.03 1.12 -0.33 -0.54 0.00 0.00 174.62 173.81 16pk h GLU 304 N -0.04 0.00 0.00 3.99 4.39 -1.90 -3.39 114.58 117.63 16pk h GLU 304 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 16pk h GLU 304 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 16pk h GLU 304 CO 0.62 0.66 0.00 -0.40 -1.16 0.00 0.00 179.01 178.73 16pk n ASP 305 N -3.18 0.00 0.22 1.42 5.68 -1.25 -4.79 116.55 114.64 16pk n ASP 305 Ca -0.05 -0.02 0.14 0.00 -0.50 0.00 0.00 54.79 54.37 16pk n ASP 305 Cb 0.90 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.65 16pk n ASP 305 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 16pk h GLN 306 N 0.00 0.00 -6.67 0.11 7.50 -1.80 -3.35 115.11 110.90 16pk h GLN 306 Ca 0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 16pk h GLN 306 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.55 16pk h GLN 306 CO 0.00 0.00 0.54 -0.80 -1.50 0.00 0.00 178.83 177.07 16pk s ASN 307 N -6.33 7.11 -0.12 1.46 0.01 -1.26 -4.76 114.94 111.06 16pk s ASN 307 Ca -0.05 2.22 -0.01 0.00 -0.71 0.00 0.00 52.86 54.31 16pk s ASN 307 Cb 0.16 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 16pk s ASN 307 CO 0.61 -0.34 -0.06 -0.63 -1.51 0.00 0.00 177.10 175.17 16pk s ILE 308 N -0.15 3.71 0.47 0.60 1.01 0.37 -4.77 121.20 122.43 16pk s ILE 308 Ca 0.52 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 60.48 16pk s ILE 308 Cb -0.32 -2.57 -0.08 0.00 0.01 0.00 0.00 42.46 39.50 16pk s ILE 308 CO 0.37 0.54 1.27 -2.65 0.00 0.00 0.00 174.94 174.47 16pk n PRO 309 N 2.98 1.80 -1.90 2.79 -0.02 -1.26 -3.77 135.00 135.63 16pk n PRO 309 Ca -0.18 0.65 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 16pk n PRO 309 Cb 0.53 -2.43 0.03 0.00 -0.02 0.00 0.00 33.50 31.61 16pk n PRO 309 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 16pk s GLU 310 N -2.43 3.19 0.00 -0.52 2.56 -1.26 -1.45 118.70 118.79 16pk s GLU 310 Ca 0.65 2.09 0.00 0.00 0.00 0.00 0.00 54.97 57.71 16pk s GLU 310 Cb -0.47 -2.22 0.00 0.00 2.00 0.00 0.00 34.13 33.44 16pk s GLU 310 CO 0.55 -1.10 0.00 0.41 -0.56 0.00 0.00 175.26 174.56 16pk n GLY 311 N 0.66 0.84 3.28 -1.50 0.00 -1.26 -4.97 105.19 102.25 16pk n GLY 311 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 16pk n GLY 311 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 16pk s HIS 312 N -3.38 1.73 -0.08 1.61 3.76 -0.53 -4.41 115.29 114.00 16pk s HIS 312 Ca 0.00 -0.43 0.05 0.00 -0.15 0.00 0.00 55.06 54.53 16pk s HIS 312 Cb 0.00 -0.94 -0.01 0.00 1.11 0.00 0.00 32.58 32.75 16pk s HIS 312 CO 0.00 0.21 -0.24 0.00 -0.85 0.00 0.00 174.74 173.86 16pk s MET 313 N -2.04 2.70 0.08 1.40 0.23 0.04 -0.39 119.30 121.33 16pk s MET 313 Ca 0.07 -0.87 -0.30 0.00 -1.03 0.00 0.00 55.69 53.56 16pk s MET 313 Cb -0.09 -2.17 -0.05 0.00 -1.53 0.00 0.00 34.83 30.98 16pk s MET 313 CO 0.04 0.28 1.10 0.00 -2.03 0.00 0.00 175.02 174.41 16pk s ALA 314 N 0.09 3.32 -0.04 3.16 0.00 -1.26 -1.80 121.76 125.23 16pk s ALA 314 Ca -0.11 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.60 16pk s ALA 314 Cb -0.16 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 16pk s ALA 314 CO 0.06 -0.30 0.13 1.28 0.00 0.00 0.00 175.76 176.93 16pk n LEU 315 N 3.44 0.24 -3.45 0.00 4.77 0.10 -4.77 117.00 117.34 16pk n LEU 315 Ca 0.06 -0.61 -0.11 0.00 -0.03 0.00 0.00 56.01 55.33 16pk n LEU 315 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 16pk n LEU 315 CO 0.54 0.06 0.50 -0.62 -1.33 0.00 0.00 177.39 176.54 16pk s ASP 316 N -0.84 -0.50 0.43 -1.43 2.15 -1.09 -0.95 116.67 114.44 16pk s ASP 316 Ca 0.00 0.01 -0.23 0.00 0.43 0.00 0.00 52.55 52.76 16pk s ASP 316 Cb 0.00 0.52 -0.08 0.00 -0.30 0.00 0.00 42.92 43.07 16pk s ASP 316 CO 0.02 -0.84 1.11 0.27 -0.17 0.00 0.00 175.17 175.55 16pk s ILE 317 N -3.49 3.42 0.95 4.11 -4.36 -1.23 -1.44 121.20 119.16 16pk s ILE 317 Ca 0.02 1.07 -0.14 0.00 -0.26 0.00 0.00 60.65 61.34 16pk s ILE 317 Cb -0.01 -3.55 0.21 0.00 1.25 0.00 0.00 42.46 40.37 16pk s ILE 317 CO -0.11 -0.01 1.30 -0.83 0.24 0.00 0.00 174.94 175.53 16pk s GLY 318 N -1.47 1.81 0.16 6.27 0.00 -0.72 -4.45 107.32 108.92 16pk s GLY 318 Ca 0.61 -1.41 -0.16 0.00 0.00 0.00 0.00 44.72 43.76 16pk s GLY 318 CO 0.31 -0.62 1.74 -2.55 0.00 0.00 0.00 173.10 171.98 16pk h PRO 319 N -1.56 0.21 -0.62 2.90 0.11 -1.92 -1.20 132.00 129.92 16pk h PRO 319 Ca -0.42 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 16pk h PRO 319 Cb 1.22 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 16pk h PRO 319 CO 0.33 0.14 0.16 0.87 -0.21 0.00 0.00 178.00 179.30 16pk h LYS 320 N 0.22 0.97 -0.28 1.05 1.57 -1.94 -1.27 116.57 116.88 16pk h LYS 320 Ca 0.17 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 16pk h LYS 320 Cb 0.18 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 16pk h LYS 320 CO -0.20 0.85 0.04 1.15 -0.57 0.00 0.00 179.45 180.72 16pk h THR 321 N 0.93 1.23 -0.42 -0.16 2.02 -1.73 -1.34 112.91 113.43 16pk h THR 321 Ca 0.20 -0.79 0.05 0.00 0.77 0.00 0.00 66.41 66.64 16pk h THR 321 Cb 0.31 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 16pk h THR 321 CO -0.00 0.26 0.17 0.40 0.37 0.00 0.00 175.52 176.71 16pk h ILE 322 N 0.28 0.90 -0.38 3.11 2.04 -1.04 0.12 117.51 122.55 16pk h ILE 322 Ca 0.09 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.87 16pk h ILE 322 Cb 0.34 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 16pk h ILE 322 CO 0.01 0.06 0.13 -0.08 0.00 0.00 0.00 178.15 178.27 16pk h GLU 323 N 0.35 0.28 -0.34 2.37 4.81 -0.97 -0.02 114.58 121.06 16pk h GLU 323 Ca 0.19 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 16pk h GLU 323 Cb 0.16 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 16pk h GLU 323 CO -0.18 0.19 0.14 -0.22 -0.73 0.00 0.00 179.01 178.21 16pk h LYS 324 N 0.29 0.51 -0.51 1.92 3.11 -0.53 -1.38 116.57 119.98 16pk h LYS 324 Ca 0.17 -0.09 -0.03 0.00 -2.81 0.00 0.00 60.65 57.89 16pk h LYS 324 Cb 0.15 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 16pk h LYS 324 CO -0.18 0.49 0.18 1.88 -2.81 0.00 0.00 179.45 179.02 16pk h TYR 325 N 0.40 0.79 -0.72 1.91 -1.99 -0.44 -0.82 116.97 116.12 16pk h TYR 325 Ca 0.11 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 16pk h TYR 325 Cb 0.17 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.64 16pk h TYR 325 CO -0.01 0.67 0.37 0.28 -0.00 0.00 0.00 178.16 179.48 16pk h VAL 326 N 0.69 1.23 -0.71 -2.88 2.07 -0.92 -0.79 116.25 114.93 16pk h VAL 326 Ca 0.17 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 16pk h VAL 326 Cb 0.23 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 16pk h VAL 326 CO -0.01 0.25 0.23 -0.61 0.02 0.00 0.00 177.57 177.45 16pk h GLN 327 N 0.99 1.10 -0.43 1.57 4.15 -0.98 -1.57 115.11 119.95 16pk h GLN 327 Ca 0.25 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 16pk h GLN 327 Cb 0.07 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 16pk h GLN 327 CO -0.04 0.94 0.17 1.15 -1.93 0.00 0.00 178.83 179.12 16pk h THR 328 N 1.04 1.20 -0.15 2.39 2.02 -0.67 -2.14 112.91 116.60 16pk h THR 328 Ca 0.23 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.79 16pk h THR 328 Cb 0.29 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 16pk h THR 328 CO -0.01 0.23 0.10 0.40 0.37 0.00 0.00 175.52 176.61 16pk h ILE 329 N 0.54 1.04 0.00 3.11 2.04 -0.83 -0.26 117.51 123.16 16pk h ILE 329 Ca 0.14 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.91 16pk h ILE 329 Cb 0.20 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 16pk h ILE 329 CO -0.01 0.04 0.00 1.23 0.00 0.00 0.00 178.15 179.41 16pk h GLY 330 N 0.22 0.00 -0.37 5.37 0.00 -0.60 -2.09 103.07 105.60 16pk h GLY 330 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 16pk h GLY 330 CO -0.01 0.00 -0.31 0.28 0.00 0.00 0.00 176.54 176.49 16pk n LYS 331 N -2.45 1.10 -4.04 4.80 5.02 -0.11 -4.97 118.16 117.51 16pk n LYS 331 Ca 0.01 -0.78 -0.23 0.00 -2.02 0.00 0.00 58.31 55.28 16pk n LYS 331 Cb 0.19 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 16pk n LYS 331 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 16pk n LYS 333 N -0.93 0.54 -3.96 0.00 5.02 0.27 -4.85 118.16 114.26 16pk n LYS 333 Ca -0.08 -0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 55.97 16pk n LYS 333 Cb 0.56 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.97 16pk n LYS 333 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 16pk s SER 334 N -3.90 0.22 -0.11 4.39 0.01 -0.85 -0.70 113.70 112.76 16pk s SER 334 Ca -0.03 -0.28 -0.05 0.00 1.31 0.00 0.00 55.95 56.91 16pk s SER 334 Cb 0.14 0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.46 16pk s SER 334 CO 0.85 -0.15 0.25 0.00 0.41 0.00 0.00 173.24 174.60 16pk s ALA 335 N -0.78 -0.54 -0.07 1.44 0.00 0.36 -1.60 121.76 120.57 16pk s ALA 335 Ca -0.08 0.96 0.05 0.00 0.00 0.00 0.00 51.96 52.89 16pk s ALA 335 Cb -0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 16pk s ALA 335 CO -0.00 -0.35 -0.24 -1.50 0.00 0.00 0.00 175.76 173.67 16pk s ILE 336 N 1.67 1.97 -0.06 0.00 1.10 -0.29 -0.94 121.20 124.65 16pk s ILE 336 Ca -0.05 -1.00 0.01 0.00 -0.51 0.00 0.00 60.65 59.09 16pk s ILE 336 Cb -0.11 -1.68 0.02 0.00 0.15 0.00 0.00 42.46 40.84 16pk s ILE 336 CO -0.08 0.55 -0.08 0.86 -2.11 0.00 0.00 174.94 174.07 16pk s TRP 337 N 0.03 1.16 -0.08 3.50 -0.00 -0.32 -0.33 118.94 122.90 16pk s TRP 337 Ca -0.09 -0.43 -0.02 0.00 -0.00 0.00 0.00 56.10 55.57 16pk s TRP 337 Cb -0.15 -0.93 0.03 0.00 -0.00 0.00 0.00 33.47 32.42 16pk s TRP 337 CO 0.05 -0.28 0.03 -0.80 -0.00 0.00 0.00 176.95 175.94 16pk s ASN 338 N 0.98 1.59 0.00 5.86 0.01 -0.44 0.24 114.94 123.18 16pk s ASN 338 Ca -0.09 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 16pk s ASN 338 Cb -0.15 -0.35 0.00 0.00 0.41 0.00 0.00 41.25 41.16 16pk s ASN 338 CO 0.00 -0.23 0.00 0.61 -1.51 0.00 0.00 177.10 175.97 16pk n GLY 339 N 5.19 0.96 3.74 0.66 0.00 -1.26 -0.76 105.19 113.72 16pk n GLY 339 Ca -0.06 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 16pk n GLY 339 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 16pk s PRO 340 N -4.61 2.33 0.09 1.61 0.04 -1.26 -2.84 135.00 130.37 16pk s PRO 340 Ca 0.00 1.52 0.28 0.00 0.04 0.00 0.00 61.00 62.83 16pk s PRO 340 Cb 0.00 -1.88 1.01 0.00 0.04 0.00 0.00 34.50 33.67 16pk s PRO 340 CO 0.00 -1.63 1.83 -1.33 0.04 0.00 0.00 177.00 175.91 16pk n MET 341 N -2.81 0.12 -0.89 4.56 2.81 -1.26 -1.20 117.12 118.45 16pk n MET 341 Ca 0.11 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 16pk n MET 341 Cb 0.51 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 16pk n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 16pk n GLY 342 N 1.42 1.85 3.55 3.03 0.00 -1.26 -1.61 105.19 112.16 16pk n GLY 342 Ca 0.06 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 16pk n GLY 342 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 16pk n VAL 343 N 0.00 3.65 0.22 1.61 0.31 -0.13 -4.78 118.33 119.21 16pk n VAL 343 Ca 0.00 -3.78 0.15 0.00 -0.01 0.00 0.00 64.34 60.71 16pk n VAL 343 Cb 0.00 -2.33 0.81 0.00 -0.91 0.00 0.00 33.84 31.40 16pk n VAL 343 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 16pk h PHE 344 N 7.81 0.00 -0.17 3.52 3.57 -1.89 -1.48 116.94 128.30 16pk h PHE 344 Ca 0.42 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.97 16pk h PHE 344 Cb 0.87 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 16pk h PHE 344 CO 1.40 0.00 0.19 0.93 -2.23 0.00 0.00 178.31 178.60 16pk h GLU 345 N 0.00 0.00 -5.27 1.11 3.07 -1.90 -3.40 114.58 108.18 16pk h GLU 345 Ca 0.06 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.27 16pk h GLU 345 Cb 0.32 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 27.97 16pk h GLU 345 CO -0.00 0.00 -0.74 -1.64 -1.40 0.00 0.00 179.01 175.23 16pk s MET 346 N -4.64 3.44 0.20 2.33 -1.94 -0.56 -5.04 119.30 113.08 16pk s MET 346 Ca -0.05 -0.64 -0.17 0.00 -1.71 0.00 0.00 55.69 53.11 16pk s MET 346 Cb 0.15 -2.73 0.17 0.00 2.01 0.00 0.00 34.83 34.43 16pk s MET 346 CO 0.55 0.17 1.61 0.28 -0.01 0.00 0.00 175.02 177.61 16pk h VAL 347 N 5.39 0.26 0.00 -6.03 2.07 -1.84 -0.23 116.25 115.87 16pk h VAL 347 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 16pk h VAL 347 Cb 1.20 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 16pk h VAL 347 CO 0.58 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 177.36 16pk n PRO 348 N -5.44 0.03 -0.29 1.57 -0.04 -1.26 -2.03 135.00 127.55 16pk n PRO 348 Ca 0.05 0.32 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 16pk n PRO 348 Cb 0.34 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.49 16pk n PRO 348 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 16pk n TYR 349 N -1.44 0.40 0.67 0.54 4.01 -0.11 -4.60 117.16 116.63 16pk n TYR 349 Ca 0.02 -1.04 0.09 0.00 -0.16 0.00 0.00 57.90 56.82 16pk n TYR 349 Cb 0.08 -0.24 -0.12 0.00 -0.31 0.00 0.00 39.34 38.76 16pk n TYR 349 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 16pk n SER 350 N -1.08 0.81 -0.19 7.72 3.41 -0.86 -3.31 113.62 120.12 16pk n SER 350 Ca 0.19 -0.72 -0.02 0.00 -0.26 0.00 0.00 58.87 58.07 16pk n SER 350 Cb 0.76 1.21 0.09 0.00 -0.26 0.00 0.00 64.21 66.01 16pk n SER 350 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 16pk h LYS 351 N 0.00 0.42 -0.42 4.33 1.57 -1.81 -1.29 116.57 119.36 16pk h LYS 351 Ca 0.00 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 16pk h LYS 351 Cb 0.55 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 16pk h LYS 351 CO 0.00 0.28 0.21 0.78 -0.57 0.00 0.00 179.45 180.15 16pk h GLY 352 N 0.43 0.58 0.92 3.86 0.00 -1.81 0.61 103.07 107.65 16pk h GLY 352 Ca 0.28 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 16pk h GLY 352 CO -0.26 0.11 0.09 -0.84 0.00 0.00 0.00 176.54 175.63 16pk h THR 353 N 0.43 1.22 -0.82 4.70 2.02 -1.76 -2.52 112.91 116.20 16pk h THR 353 Ca 0.18 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 16pk h THR 353 Cb 0.08 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 16pk h THR 353 CO -0.12 0.26 0.47 -0.26 0.37 0.00 0.00 175.52 176.23 16pk h PHE 354 N 0.42 1.09 -0.81 3.16 0.04 -0.85 -2.77 116.94 117.23 16pk h PHE 354 Ca 0.11 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 16pk h PHE 354 Cb 0.30 -0.35 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 16pk h PHE 354 CO 0.02 0.74 0.38 0.00 -0.60 0.00 0.00 178.31 178.85 16pk h ALA 355 N 1.38 1.05 -0.56 2.45 0.00 -0.61 -0.70 119.26 122.27 16pk h ALA 355 Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 16pk h ALA 355 Cb -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 16pk h ALA 355 CO -0.05 0.62 0.09 0.82 0.00 0.00 0.00 179.25 180.72 16pk h ILE 356 N 1.15 1.26 -0.86 0.00 1.08 -1.20 -0.94 117.51 118.00 16pk h ILE 356 Ca 0.28 -0.98 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 16pk h ILE 356 Cb 0.13 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 16pk h ILE 356 CO -0.03 0.36 0.51 0.00 -0.69 0.00 0.00 178.15 178.29 16pk h ALA 357 N 1.00 1.10 -0.26 1.87 0.00 -1.20 -1.25 119.26 120.52 16pk h ALA 357 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 16pk h ALA 357 Cb 0.42 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 16pk h ALA 357 CO 0.01 0.57 0.07 -0.22 0.00 0.00 0.00 179.25 179.68 16pk h LYS 358 N 1.19 0.41 -0.62 0.00 3.64 -0.72 -1.33 116.57 119.14 16pk h LYS 358 Ca 0.31 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 16pk h LYS 358 Cb -0.04 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 16pk h LYS 358 CO -0.06 0.49 0.39 0.00 -2.27 0.00 0.00 179.45 178.00 16pk h ALA 359 N 0.90 0.80 -0.39 5.00 0.00 -0.91 -1.46 119.26 123.19 16pk h ALA 359 Ca 0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 16pk h ALA 359 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 16pk h ALA 359 CO -0.00 0.26 0.01 0.52 0.00 0.00 0.00 179.25 180.05 16pk h MET 360 N 0.85 0.68 -0.31 0.00 2.86 -1.15 -0.42 114.93 117.43 16pk h MET 360 Ca 0.23 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 16pk h MET 360 Cb -0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 16pk h MET 360 CO -0.04 0.76 0.12 0.78 1.06 0.00 0.00 176.91 179.59 16pk h GLY 361 N 0.51 0.50 0.99 8.32 0.00 -1.09 -2.04 103.07 110.26 16pk h GLY 361 Ca 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 16pk h GLY 361 CO 0.02 0.26 0.32 -0.09 0.00 0.00 0.00 176.54 177.05 16pk h ARG 362 N 0.36 0.74 -0.72 4.80 2.43 -1.21 0.52 114.38 121.29 16pk h ARG 362 Ca 0.10 -0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.30 16pk h ARG 362 Cb 0.19 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 16pk h ARG 362 CO -0.01 0.54 0.36 0.78 -1.51 0.00 0.00 179.97 180.14 16pk h GLY 363 N 0.73 1.08 0.49 2.80 0.00 -0.74 0.21 103.07 107.64 16pk h GLY 363 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 16pk h GLY 363 CO -0.03 0.06 -0.09 -0.84 0.00 0.00 0.00 176.54 175.64 16pk h THR 364 N 0.61 1.46 -0.78 4.70 2.02 -0.93 0.13 112.91 120.14 16pk h THR 364 Ca 0.35 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 16pk h THR 364 Cb 0.37 2.39 -0.04 0.00 -1.74 0.00 0.00 68.15 69.13 16pk h THR 364 CO -0.27 0.41 0.35 -0.74 0.37 0.00 0.00 175.52 175.64 16pk h HIS 365 N -0.45 1.13 0.00 3.16 -0.00 -0.59 -0.97 115.15 117.43 16pk h HIS 365 Ca -0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 16pk h HIS 365 Cb 0.71 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 16pk h HIS 365 CO 0.13 0.83 -1.52 -0.85 -0.00 0.00 0.00 177.93 176.52 16pk n GLU 366 N -4.31 0.41 0.00 5.26 0.28 0.70 -4.70 120.64 118.28 16pk n GLU 366 Ca 0.07 -0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 16pk n GLU 366 Cb 0.15 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.52 16pk n GLU 366 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 16pk n HIS 367 N -1.90 0.00 -0.90 -1.84 8.25 0.38 -5.03 115.22 114.18 16pk n HIS 367 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 16pk n HIS 367 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 16pk n HIS 367 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 16pk n GLY 368 N 0.05 0.47 3.69 -1.41 0.00 -0.37 -4.94 105.19 102.67 16pk n GLY 368 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 16pk n GLY 368 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 16pk n LEU 369 N 0.00 3.62 -4.45 0.99 7.94 -0.98 -4.88 117.00 119.23 16pk n LEU 369 Ca 0.00 1.16 -0.44 0.00 -1.11 0.00 0.00 56.01 55.63 16pk n LEU 369 Cb 0.00 -1.48 -0.05 0.00 0.53 0.00 0.00 43.42 42.42 16pk n LEU 369 CO 0.00 -0.62 0.51 -0.32 -1.11 0.00 0.00 177.39 175.85 16pk s MET 370 N -1.99 3.15 -0.22 1.96 -2.45 0.12 -4.24 119.30 115.64 16pk s MET 370 Ca 0.58 -0.81 -0.06 0.00 -1.25 0.00 0.00 55.69 54.14 16pk s MET 370 Cb -0.55 -4.14 -0.03 0.00 1.25 0.00 0.00 34.83 31.37 16pk s MET 370 CO 0.60 -1.44 0.03 -1.54 1.05 0.00 0.00 175.02 173.72 16pk s SER 371 N 3.06 4.94 -0.10 1.11 1.04 -1.26 -0.49 113.70 122.00 16pk s SER 371 Ca 0.19 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.43 16pk s SER 371 Cb -0.18 -1.86 0.02 0.00 0.10 0.00 0.00 66.02 64.09 16pk s SER 371 CO 0.12 0.02 -0.12 -0.63 0.98 0.00 0.00 173.24 173.62 16pk s ILE 372 N 1.25 1.25 -0.17 -1.02 1.01 -0.12 -1.38 121.20 122.02 16pk s ILE 372 Ca 0.04 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 16pk s ILE 372 Cb -0.15 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 16pk s ILE 372 CO 0.02 0.39 -0.08 -0.63 0.00 0.00 0.00 174.94 174.64 16pk s ILE 373 N 1.16 3.33 -1.45 2.92 1.01 -0.52 -1.17 121.20 126.47 16pk s ILE 373 Ca -0.04 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 16pk s ILE 373 Cb -0.14 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.90 16pk s ILE 373 CO -0.03 0.48 2.65 0.61 0.00 0.00 0.00 174.94 178.66 16pk n GLY 374 N 4.03 4.77 7.00 6.18 0.00 0.14 -0.54 105.19 126.77 16pk n GLY 374 Ca -0.18 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.04 16pk n GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 16pk n GLY 375 N 2.54 -0.21 7.00 -0.02 0.00 -1.13 -4.04 105.19 109.33 16pk n GLY 375 Ca 0.70 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.75 16pk n GLY 375 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 16pk n GLY 376 N 0.00 0.16 0.27 -0.02 0.00 -1.26 -2.47 105.19 101.87 16pk n GLY 376 Ca 0.00 -0.95 0.16 0.00 0.00 0.00 0.00 46.02 45.23 16pk n GLY 376 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 16pk h ASP 377 N 2.24 0.00 -0.38 1.61 3.32 -1.98 -1.93 116.42 119.31 16pk h ASP 377 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 16pk h ASP 377 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 16pk h ASP 377 CO 0.00 0.07 -0.02 0.28 -1.72 0.00 0.00 179.24 177.85 16pk h SER 378 N 0.00 0.67 -0.45 6.45 0.02 -1.89 0.08 113.55 118.43 16pk h SER 378 Ca -0.00 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 16pk h SER 378 Cb 0.45 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 16pk h SER 378 CO 0.01 0.82 0.05 0.00 -1.14 0.00 0.00 176.83 176.57 16pk h ALA 379 N 0.86 0.59 -0.51 3.77 0.00 -1.12 -2.62 119.26 120.24 16pk h ALA 379 Ca 0.10 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.84 16pk h ALA 379 Cb 0.49 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 16pk h ALA 379 CO 0.02 0.34 0.21 1.03 0.00 0.00 0.00 179.25 180.85 16pk h SER 380 N 0.61 0.24 -0.52 0.00 0.87 -1.18 -0.19 113.55 113.38 16pk h SER 380 Ca 0.13 0.05 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 16pk h SER 380 Cb 0.42 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 16pk h SER 380 CO 0.01 0.17 0.17 0.00 -0.53 0.00 0.00 176.83 176.65 16pk h ALA 381 N 1.32 0.63 -0.59 6.23 0.00 -0.70 0.19 119.26 126.34 16pk h ALA 381 Ca 0.24 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 16pk h ALA 381 Cb 0.23 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 16pk h ALA 381 CO -0.22 -0.24 0.27 0.00 0.00 0.00 0.00 179.25 179.06 16pk h ALA 382 N 1.36 0.76 0.13 0.00 0.00 -1.03 -1.95 119.26 118.54 16pk h ALA 382 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 16pk h ALA 382 Cb 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.86 16pk h ALA 382 CO -0.28 0.34 -0.06 1.49 0.00 0.00 0.00 179.25 180.73 16pk h GLU 383 N 0.80 -0.17 -0.45 0.00 4.81 -0.18 0.86 114.58 120.26 16pk h GLU 383 Ca 0.20 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 16pk h GLU 383 Cb 0.14 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 16pk h GLU 383 CO -0.02 -0.03 0.10 -0.07 -0.73 0.00 0.00 179.01 178.25 16pk h LEU 384 N -0.28 0.63 -1.04 1.64 3.38 -0.55 -2.77 115.31 116.32 16pk h LEU 384 Ca -0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.85 16pk h LEU 384 Cb 0.22 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.81 16pk h LEU 384 CO 0.03 0.64 0.00 -1.54 0.09 0.00 0.00 178.44 177.66 16pk n SER 385 N -4.30 1.55 -0.32 -0.43 3.41 -0.75 -4.91 113.62 107.87 16pk n SER 385 Ca 0.03 -1.74 -0.04 0.00 -0.26 0.00 0.00 58.87 56.86 16pk n SER 385 Cb 0.21 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 16pk n SER 385 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 16pk n GLY 386 N 1.08 0.70 0.07 5.00 0.00 -1.02 -4.90 105.19 106.12 16pk n GLY 386 Ca 0.15 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.73 16pk n GLY 386 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 16pk n GLU 387 N -2.54 0.44 -0.30 1.61 -0.58 0.22 -4.24 120.64 115.26 16pk n GLU 387 Ca -0.04 0.07 0.09 0.00 -0.42 0.00 0.00 57.16 56.86 16pk n GLU 387 Cb 0.18 -1.71 0.32 0.00 -0.57 0.00 0.00 31.44 29.66 16pk n GLU 387 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 16pk h ALA 388 N 2.28 1.69 0.00 0.62 0.00 -1.65 0.08 119.26 122.29 16pk h ALA 388 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 16pk h ALA 388 Cb 0.86 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 16pk h ALA 388 CO 0.00 0.08 -0.36 1.57 0.00 0.00 0.00 179.25 180.55 16pk h LYS 389 N 0.83 0.00 0.00 0.00 2.10 -1.88 -2.98 116.57 114.63 16pk h LYS 389 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 16pk h LYS 389 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 16pk h LYS 389 CO -0.21 0.36 -0.54 0.00 -2.00 0.00 0.00 179.45 177.05 16pk h ARG 390 N 0.00 0.00 -7.32 0.07 3.08 -1.24 -3.47 114.38 105.50 16pk h ARG 390 Ca -0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 16pk h ARG 390 Cb 0.83 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.98 16pk h ARG 390 CO 0.05 0.00 0.37 1.41 -1.07 0.00 0.00 179.97 180.72 16pk s MET 391 N -3.23 2.91 0.06 0.04 1.75 -0.72 -4.17 119.30 115.94 16pk s MET 391 Ca 0.05 0.99 -0.16 0.00 -1.25 0.00 0.00 55.69 55.32 16pk s MET 391 Cb 0.10 -1.99 -0.18 0.00 2.84 0.00 0.00 34.83 35.60 16pk s MET 391 CO 0.72 -1.12 1.24 0.77 -0.65 0.00 0.00 175.02 175.97 16pk h SER 392 N -0.66 0.76 -3.05 1.11 0.02 -1.74 -3.46 113.55 106.53 16pk h SER 392 Ca -0.44 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 59.85 16pk h SER 392 Cb 1.21 -0.23 -0.22 0.00 0.14 0.00 0.00 62.40 63.31 16pk h SER 392 CO 0.56 1.31 -0.02 -2.28 -1.14 0.00 0.00 176.83 175.26 16pk s HIS 393 N -3.61 -1.00 -0.25 3.45 2.46 -0.48 -4.99 115.29 110.87 16pk s HIS 393 Ca -0.12 2.02 0.03 0.00 0.47 0.00 0.00 55.06 57.47 16pk s HIS 393 Cb 0.06 0.58 0.06 0.00 -0.13 0.00 0.00 32.58 33.16 16pk s HIS 393 CO 0.87 -0.50 -0.11 0.08 -2.47 0.00 0.00 174.74 172.60 16pk s VAL 394 N 1.58 2.15 0.54 0.89 1.01 -1.26 -1.45 120.40 123.86 16pk s VAL 394 Ca -0.10 -1.58 -0.20 0.00 0.00 0.00 0.00 61.98 60.10 16pk s VAL 394 Cb -0.05 -2.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 16pk s VAL 394 CO -0.19 0.01 1.13 -0.55 0.00 0.00 0.00 175.10 175.50 16pk s SER 395 N 1.12 5.76 0.00 3.32 0.15 0.30 -4.92 113.70 119.43 16pk s SER 395 Ca -0.08 2.18 0.24 0.00 0.70 0.00 0.00 55.95 58.99 16pk s SER 395 Cb -0.19 -2.58 0.29 0.00 -1.71 0.00 0.00 66.02 61.82 16pk s SER 395 CO -0.06 -1.19 1.27 0.35 1.20 0.00 0.00 173.24 174.82 16pk n THR 396 N -1.25 0.00 -3.87 6.45 -2.24 -1.26 -2.85 114.28 109.26 16pk n THR 396 Ca 0.11 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 16pk n THR 396 Cb 0.51 0.94 -0.16 0.00 -2.10 0.00 0.00 70.33 69.53 16pk n THR 396 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 16pk s GLY 397 N -2.47 1.13 0.03 3.38 0.00 -1.26 -4.45 107.32 103.68 16pk s GLY 397 Ca 0.21 -1.24 -0.27 0.00 0.00 0.00 0.00 44.72 43.42 16pk s GLY 397 CO 0.54 1.12 1.31 -1.33 0.00 0.00 0.00 173.10 174.74 16pk h GLY 398 N 8.03 -0.70 1.00 0.20 0.00 -1.87 -1.03 103.07 108.70 16pk h GLY 398 Ca -0.17 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 16pk h GLY 398 CO 0.40 -0.26 0.34 -1.33 0.00 0.00 0.00 176.54 175.70 16pk h GLY 399 N -0.91 0.93 0.99 4.60 0.00 -1.89 -2.01 103.07 104.79 16pk h GLY 399 Ca -0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 16pk h GLY 399 CO 0.11 0.40 -0.09 0.00 0.00 0.00 0.00 176.54 176.96 16pk h ALA 400 N 1.16 0.58 -0.55 3.60 0.00 -1.80 -1.99 119.26 120.26 16pk h ALA 400 Ca 0.22 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 16pk h ALA 400 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 16pk h ALA 400 CO -0.04 0.45 0.02 0.66 0.00 0.00 0.00 179.25 180.34 16pk h SER 401 N 0.63 0.89 -0.58 0.00 4.64 -1.09 -2.27 113.55 115.76 16pk h SER 401 Ca 0.11 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.16 16pk h SER 401 Cb 0.62 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 16pk h SER 401 CO 0.04 0.94 0.19 0.25 -0.87 0.00 0.00 176.83 177.38 16pk h LEU 402 N 0.86 0.84 -1.06 5.97 5.85 -1.22 -1.89 115.31 124.66 16pk h LEU 402 Ca 0.16 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 16pk h LEU 402 Cb 0.48 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 16pk h LEU 402 CO 0.02 0.82 0.42 -0.33 -0.34 0.00 0.00 178.44 179.03 16pk h GLU 403 N 0.82 1.07 -0.51 1.25 5.08 -1.01 0.28 114.58 121.56 16pk h GLU 403 Ca 0.19 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 16pk h GLU 403 Cb 0.28 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 16pk h GLU 403 CO -0.01 0.79 0.21 -0.07 -1.00 0.00 0.00 179.01 178.93 16pk h LEU 404 N 1.08 0.69 -1.82 1.33 3.38 -1.03 -1.59 115.31 117.35 16pk h LEU 404 Ca 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 16pk h LEU 404 Cb 0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 16pk h LEU 404 CO -0.04 0.67 -0.08 -0.07 0.09 0.00 0.00 178.44 179.01 16pk h LEU 405 N 0.68 0.00 -0.00 1.67 4.07 -0.54 -0.61 115.31 120.57 16pk h LEU 405 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 16pk h LEU 405 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 16pk h LEU 405 CO -0.01 0.08 0.00 -0.62 -1.08 0.00 0.00 178.44 176.80 16pk n GLU 406 N -3.31 0.01 -0.25 1.13 1.02 0.01 -4.56 120.64 114.68 16pk n GLU 406 Ca -0.01 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 16pk n GLU 406 Cb 0.26 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 16pk n GLU 406 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 16pk n GLY 407 N 1.19 0.86 3.91 0.62 0.00 -0.24 -4.72 105.19 106.82 16pk n GLY 407 Ca 0.06 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 16pk n GLY 407 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 16pk s LYS 408 N -0.66 3.59 0.08 1.61 1.02 -0.67 -5.02 119.74 119.68 16pk s LYS 408 Ca 0.00 -0.06 -0.02 0.00 0.02 0.00 0.00 55.97 55.91 16pk s LYS 408 Cb 0.00 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 16pk s LYS 408 CO 0.00 0.17 0.26 0.95 -0.92 0.00 0.00 175.35 175.81 16pk s THR 409 N -2.18 5.33 -0.22 2.17 -4.23 -1.26 -4.27 115.64 110.98 16pk s THR 409 Ca 0.43 -0.24 -0.10 0.00 -1.18 0.00 0.00 61.69 60.60 16pk s THR 409 Cb -0.10 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 16pk s THR 409 CO 0.32 0.13 0.14 -0.76 -0.54 0.00 0.00 174.62 173.91 16pk s LEU 410 N -2.50 4.10 0.29 4.79 1.02 -1.26 -4.99 118.68 120.12 16pk s LEU 410 Ca 0.36 0.14 0.03 0.00 0.02 0.00 0.00 54.13 54.68 16pk s LEU 410 Cb -0.13 -2.08 0.65 0.00 0.02 0.00 0.00 46.19 44.65 16pk s LEU 410 CO 0.26 0.12 1.79 -0.65 0.02 0.00 0.00 176.35 177.88 16pk h PRO 411 N 7.13 0.76 0.00 1.29 0.11 -1.79 0.38 132.00 139.89 16pk h PRO 411 Ca -0.39 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 16pk h PRO 411 Cb 1.16 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 16pk h PRO 411 CO 0.70 0.50 -0.02 0.78 -0.21 0.00 0.00 178.00 179.75 16pk h GLY 412 N 0.78 0.00 0.00 -0.55 0.00 -0.91 -2.09 103.07 100.31 16pk h GLY 412 Ca 0.53 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.58 16pk h GLY 412 CO -0.35 0.00 -1.53 -0.62 0.00 0.00 0.00 176.54 174.03 16pk n VAL 413 N -3.15 1.53 -0.34 4.60 0.31 -0.02 -4.33 118.33 116.94 16pk n VAL 413 Ca -0.01 -0.10 0.09 0.00 -0.01 0.00 0.00 64.34 64.31 16pk n VAL 413 Cb 0.25 -2.01 0.26 0.00 -0.91 0.00 0.00 33.84 31.42 16pk n VAL 413 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 16pk h THR 414 N -1.00 0.81 0.00 2.52 2.02 -1.13 -1.36 112.91 114.77 16pk h THR 414 Ca -0.42 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 16pk h THR 414 Cb 1.36 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 16pk h THR 414 CO -0.26 0.15 -0.02 1.62 0.37 0.00 0.00 175.52 177.38 16pk h VAL 415 N 0.84 0.15 -4.21 3.16 3.04 -1.58 -3.44 116.25 114.21 16pk h VAL 415 Ca 0.51 -0.25 -0.50 0.00 -1.01 0.00 0.00 66.70 65.46 16pk h VAL 415 Cb 0.65 1.21 0.07 0.00 -2.01 0.00 0.00 31.29 31.21 16pk h VAL 415 CO -0.32 0.02 0.38 -0.76 -1.01 0.00 0.00 177.57 175.88 16pk s LEU 416 N -6.49 3.44 0.64 3.16 1.43 -0.52 -4.78 118.68 115.56 16pk s LEU 416 Ca -0.03 1.83 -0.16 0.00 -1.03 0.00 0.00 54.13 54.75 16pk s LEU 416 Cb 0.12 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.80 16pk s LEU 416 CO 0.49 -1.29 1.10 -1.81 0.23 0.00 0.00 176.35 175.08 16pk s ASP 417 N -2.84 5.27 0.26 2.29 1.01 0.17 -4.90 116.67 117.93 16pk s ASP 417 Ca 0.64 1.99 -0.07 0.00 0.71 0.00 0.00 52.55 55.82 16pk s ASP 417 Cb -0.17 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.15 16pk s ASP 417 CO 0.40 -1.52 0.56 -1.81 0.21 0.00 0.00 175.17 173.00 16pk s ASP 418 N -2.52 6.54 0.00 0.27 1.01 -1.26 -0.23 116.67 120.46 16pk s ASP 418 Ca 0.67 0.83 0.30 0.00 0.71 0.00 0.00 52.55 55.07 16pk s ASP 418 Cb -0.20 -2.19 1.58 0.00 1.01 0.00 0.00 42.92 43.11 16pk s ASP 418 CO 0.39 -0.14 2.04 2.29 0.21 0.00 0.00 175.17 179.96