#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 13pk s LYS 6 N 0.00 2.32 0.19 5.31 -0.14 -1.26 -1.51 119.74 124.64 13pk s LYS 6 Ca 0.00 -0.89 -0.30 0.00 -1.36 0.00 0.00 55.97 53.42 13pk s LYS 6 Cb 0.00 -2.38 -0.08 0.00 -1.68 0.00 0.00 37.83 33.69 13pk s LYS 6 CO 0.00 0.55 1.12 0.21 -0.76 0.00 0.00 175.35 176.47 13pk s LYS 7 N -1.82 4.57 0.31 1.68 2.20 0.35 -4.23 119.74 122.80 13pk s LYS 7 Ca 0.19 1.76 0.07 0.00 -0.36 0.00 0.00 55.97 57.63 13pk s LYS 7 Cb -0.11 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 13pk s LYS 7 CO 0.11 0.05 0.25 0.45 -0.36 0.00 0.00 175.35 175.84 13pk s SER 8 N -0.10 5.31 0.46 1.43 0.15 -1.26 -0.50 113.70 119.19 13pk s SER 8 Ca 0.50 -0.44 0.24 0.00 0.70 0.00 0.00 55.95 56.95 13pk s SER 8 Cb -0.30 -1.09 1.25 0.00 -1.71 0.00 0.00 66.02 64.17 13pk s SER 8 CO 0.36 -0.24 1.85 0.16 1.20 0.00 0.00 173.24 176.57 13pk h ILE 9 N 1.36 0.60 -0.70 6.45 3.07 -1.66 0.18 117.51 126.82 13pk h ILE 9 Ca -0.46 -0.08 0.16 0.00 1.55 0.00 0.00 64.86 66.03 13pk h ILE 9 Cb 1.25 0.34 -0.04 0.00 -0.27 0.00 0.00 36.82 38.10 13pk h ILE 9 CO 0.59 0.04 0.48 0.78 -1.05 0.00 0.00 178.15 179.00 13pk h ASN 10 N 0.24 0.24 0.01 2.16 -0.26 -1.94 -0.53 115.58 115.50 13pk h ASN 10 Ca 0.47 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.23 13pk h ASN 10 Cb 1.46 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.69 13pk h ASN 10 CO -0.12 0.12 -0.01 -0.62 -1.06 0.00 0.00 177.43 175.74 13pk n GLU 11 N -4.43 1.44 -3.68 0.81 4.71 0.65 -4.92 120.64 115.21 13pk n GLU 11 Ca 0.13 -0.68 -0.29 0.00 -0.01 0.00 0.00 57.16 56.32 13pk n GLU 11 Cb 0.59 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.50 13pk n GLU 11 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 13pk s ASP 13 N -2.88 6.33 -0.02 0.00 2.15 -1.26 -4.90 116.67 116.10 13pk s ASP 13 Ca 0.39 0.06 0.11 0.00 0.43 0.00 0.00 52.55 53.55 13pk s ASP 13 Cb -0.11 -2.27 -0.17 0.00 -0.30 0.00 0.00 42.92 40.06 13pk s ASP 13 CO 0.28 -0.44 0.25 0.18 -0.17 0.00 0.00 175.17 175.26 13pk n LEU 14 N 5.70 0.01 -4.67 -1.34 4.77 -1.26 -4.88 117.00 115.33 13pk n LEU 14 Ca -0.05 -0.01 -0.57 0.00 -0.03 0.00 0.00 56.01 55.36 13pk n LEU 14 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 13pk n LEU 14 CO 0.44 0.00 1.18 1.17 -1.33 0.00 0.00 177.39 178.85 13pk n LYS 15 N -1.88 1.06 -1.50 3.23 3.00 -1.15 -0.70 118.16 120.21 13pk n LYS 15 Ca -0.02 0.39 -0.17 0.00 -0.00 0.00 0.00 58.31 58.50 13pk n LYS 15 Cb 0.29 -2.05 -0.07 0.00 0.00 0.00 0.00 35.03 33.20 13pk n LYS 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 13pk n GLY 16 N 3.65 1.65 3.64 3.14 0.00 0.38 -4.89 105.19 112.76 13pk n GLY 16 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 13pk n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 13pk s LYS 17 N -3.47 2.62 -0.41 1.61 1.02 0.12 -4.96 119.74 116.28 13pk s LYS 17 Ca 0.00 -0.70 -0.25 0.00 0.02 0.00 0.00 55.97 55.04 13pk s LYS 17 Cb 0.00 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 13pk s LYS 17 CO 0.00 0.60 0.88 0.15 -0.92 0.00 0.00 175.35 176.06 13pk s LYS 18 N -1.58 3.67 -0.20 1.68 1.02 -1.26 -2.05 119.74 121.02 13pk s LYS 18 Ca 0.19 0.31 -0.15 0.00 0.02 0.00 0.00 55.97 56.34 13pk s LYS 18 Cb -0.11 -3.86 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 13pk s LYS 18 CO 0.10 -1.04 0.35 0.08 -0.92 0.00 0.00 175.35 173.92 13pk s VAL 19 N 3.47 5.24 -0.36 3.17 1.01 -0.20 -0.08 120.40 132.65 13pk s VAL 19 Ca 0.35 0.62 -0.21 0.00 0.00 0.00 0.00 61.98 62.75 13pk s VAL 19 Cb -0.12 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.58 13pk s VAL 19 CO 0.21 0.29 0.66 -0.76 0.00 0.00 0.00 175.10 175.50 13pk s LEU 20 N 1.11 4.25 -0.14 3.92 1.02 0.11 -1.94 118.68 127.02 13pk s LEU 20 Ca 0.17 0.15 0.02 0.00 0.02 0.00 0.00 54.13 54.49 13pk s LEU 20 Cb -0.14 -2.82 0.00 0.00 0.02 0.00 0.00 46.19 43.24 13pk s LEU 20 CO 0.07 -0.63 -0.19 -0.63 0.02 0.00 0.00 176.35 174.99 13pk s ILE 21 N 2.79 2.38 -0.41 -0.59 1.01 -0.82 -0.85 121.20 124.71 13pk s ILE 21 Ca 0.26 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 59.87 13pk s ILE 21 Cb -0.14 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.38 13pk s ILE 21 CO 0.15 0.54 0.35 -0.60 0.00 0.00 0.00 174.94 175.39 13pk s ARG 22 N 0.66 3.05 0.38 2.79 3.00 -0.91 -1.22 118.95 126.69 13pk s ARG 22 Ca -0.10 -0.89 0.08 0.00 -1.00 0.00 0.00 55.73 53.82 13pk s ARG 22 Cb -0.16 -3.97 -0.04 0.00 0.00 0.00 0.00 34.95 30.79 13pk s ARG 22 CO 0.02 -0.78 0.23 0.14 0.00 0.00 0.00 175.30 174.91 13pk s VAL 23 N 1.87 2.81 -0.56 7.11 -7.23 -0.65 -0.36 120.40 123.40 13pk s VAL 23 Ca 0.08 -1.57 -0.08 0.00 -1.81 0.00 0.00 61.98 58.60 13pk s VAL 23 Cb -0.18 -3.01 0.15 0.00 0.56 0.00 0.00 36.38 33.89 13pk s VAL 23 CO 0.11 -0.09 0.42 -0.62 -0.31 0.00 0.00 175.10 174.62 13pk s ASP 24 N -3.95 5.70 -0.29 4.85 2.15 -1.26 -4.44 116.67 119.43 13pk s ASP 24 Ca 0.41 -2.30 0.11 0.00 0.43 0.00 0.00 52.55 51.20 13pk s ASP 24 Cb -0.01 -1.98 0.60 0.00 -0.30 0.00 0.00 42.92 41.22 13pk s ASP 24 CO 0.24 -0.57 1.60 0.49 -0.17 0.00 0.00 175.17 176.76 13pk n PHE 25 N 4.35 1.65 -1.71 -5.34 3.72 -1.26 -4.44 117.46 114.43 13pk n PHE 25 Ca 0.00 -1.33 -0.42 0.00 -0.05 0.00 0.00 57.45 55.65 13pk n PHE 25 Cb 0.41 -0.55 -0.00 0.00 -0.94 0.00 0.00 39.48 38.40 13pk n PHE 25 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 13pk n ASN 26 N -0.71 4.05 -4.86 4.37 5.15 -1.21 -4.80 115.26 117.24 13pk n ASN 26 Ca 0.35 -2.83 -0.31 0.00 -0.60 0.00 0.00 54.58 51.20 13pk n ASN 26 Cb 1.17 -1.65 -0.03 0.00 -0.53 0.00 0.00 39.78 38.74 13pk n ASN 26 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 13pk s VAL 27 N 3.18 4.71 0.09 3.44 -7.23 -1.26 -4.85 120.40 118.47 13pk s VAL 27 Ca 0.48 0.81 -0.31 0.00 -1.81 0.00 0.00 61.98 61.15 13pk s VAL 27 Cb 0.14 -3.72 -0.09 0.00 0.56 0.00 0.00 36.38 33.27 13pk s VAL 27 CO -0.09 -0.56 1.60 -2.84 -0.31 0.00 0.00 175.10 172.90 13pk s PRO 28 N -3.89 4.21 0.04 4.82 0.02 -1.25 -4.89 135.00 134.07 13pk s PRO 28 Ca 0.54 2.30 0.07 0.00 0.02 0.00 0.00 61.00 63.93 13pk s PRO 28 Cb -0.10 -3.46 -0.02 0.00 0.02 0.00 0.00 34.50 30.93 13pk s PRO 28 CO 0.31 -0.68 -0.20 0.14 -0.33 0.00 0.00 177.00 176.24 13pk s VAL 29 N 2.16 1.63 -0.05 3.83 -7.23 -1.26 -0.20 120.40 119.28 13pk s VAL 29 Ca 0.72 -1.17 -0.02 0.00 -1.81 0.00 0.00 61.98 59.70 13pk s VAL 29 Cb -0.40 -1.42 0.04 0.00 0.56 0.00 0.00 36.38 35.15 13pk s VAL 29 CO 0.32 0.21 0.09 -0.75 -0.31 0.00 0.00 175.10 174.65 13pk s LYS 30 N -1.14 -0.01 -1.42 4.82 2.20 0.61 -4.84 119.74 119.95 13pk s LYS 30 Ca 0.07 0.36 -0.09 0.00 -0.36 0.00 0.00 55.97 55.96 13pk s LYS 30 Cb -0.09 -0.33 0.04 0.00 -1.51 0.00 0.00 37.83 35.95 13pk s LYS 30 CO 0.02 -0.25 0.99 0.09 -0.36 0.00 0.00 175.35 175.84 13pk n ASN 31 N 4.80 -4.37 -0.24 1.43 5.03 -1.26 -1.56 115.26 119.09 13pk n ASN 31 Ca -0.15 -0.71 -0.03 0.00 0.87 0.00 0.00 54.58 54.56 13pk n ASN 31 Cb 0.50 -4.33 -0.01 0.00 -1.02 0.00 0.00 39.78 34.92 13pk n ASN 31 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 13pk n GLY 32 N -1.72 0.52 3.28 7.41 0.00 -1.26 -5.00 105.19 108.42 13pk n GLY 32 Ca -0.05 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 13pk n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 13pk s LYS 33 N -1.56 1.86 0.06 1.61 1.02 -0.60 -4.87 119.74 117.26 13pk s LYS 33 Ca 0.00 -0.90 -0.31 0.00 0.02 0.00 0.00 55.97 54.79 13pk s LYS 33 Cb 0.00 -1.85 -0.06 0.00 -0.52 0.00 0.00 37.83 35.40 13pk s LYS 33 CO 0.00 0.50 1.29 0.42 -0.92 0.00 0.00 175.35 176.64 13pk s ILE 34 N -0.62 3.78 -0.96 2.17 1.01 -1.26 -0.28 121.20 125.04 13pk s ILE 34 Ca 0.09 1.25 0.21 0.00 0.00 0.00 0.00 60.65 62.20 13pk s ILE 34 Cb -0.09 -3.80 -0.23 0.00 0.01 0.00 0.00 42.46 38.35 13pk s ILE 34 CO -0.00 0.07 0.89 0.35 0.00 0.00 0.00 174.94 176.25 13pk n THR 35 N 4.13 0.00 -3.61 2.92 -2.24 0.72 -4.89 114.28 111.31 13pk n THR 35 Ca 0.11 -0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.84 13pk n THR 35 Cb 0.45 0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 69.58 13pk n THR 35 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 13pk s ASN 36 N -3.06 -0.98 -0.28 3.42 3.84 -1.24 -5.02 114.94 111.61 13pk s ASN 36 Ca 0.07 1.40 0.11 0.00 0.21 0.00 0.00 52.86 54.65 13pk s ASN 36 Cb 0.16 1.93 0.56 0.00 -0.55 0.00 0.00 41.25 43.35 13pk s ASN 36 CO 0.87 -0.20 1.55 -0.90 -2.79 0.00 0.00 177.10 175.63 13pk n ASP 37 N 5.01 3.33 -0.33 -4.21 5.75 -1.26 -3.83 116.55 121.00 13pk n ASP 37 Ca -0.14 -3.47 0.09 0.00 -0.01 0.00 0.00 54.79 51.26 13pk n ASP 37 Cb 0.52 -0.65 0.30 0.00 -1.03 0.00 0.00 41.12 40.26 13pk n ASP 37 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 13pk h TYR 38 N 1.44 1.02 -0.13 2.11 3.20 -1.97 -0.03 116.97 122.60 13pk h TYR 38 Ca 0.22 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 13pk h TYR 38 Cb 1.84 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.77 13pk h TYR 38 CO 0.98 0.39 -0.34 0.00 -1.64 0.00 0.00 178.16 177.55 13pk h ARG 39 N 0.87 0.26 -0.03 1.82 3.08 -1.86 -0.50 114.38 118.03 13pk h ARG 39 Ca 0.48 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 60.29 13pk h ARG 39 Cb 0.59 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.64 13pk h ARG 39 CO -0.25 0.58 -0.50 0.82 -1.07 0.00 0.00 179.97 179.55 13pk h ILE 40 N 0.23 1.43 -0.95 2.04 2.04 -1.30 -3.00 117.51 117.99 13pk h ILE 40 Ca 0.03 -1.97 0.05 0.00 1.00 0.00 0.00 64.86 63.98 13pk h ILE 40 Cb 0.72 2.51 -0.06 0.00 -0.74 0.00 0.00 36.82 39.25 13pk h ILE 40 CO 0.05 0.57 0.62 0.03 0.00 0.00 0.00 178.15 179.42 13pk h ARG 41 N -0.12 1.09 0.00 2.37 3.08 -0.95 -1.45 114.38 118.40 13pk h ARG 41 Ca -0.05 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 13pk h ARG 41 Cb 1.20 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 13pk h ARG 41 CO 0.10 0.72 -0.07 0.77 -1.07 0.00 0.00 179.97 180.43 13pk h SER 42 N 1.13 0.00 0.74 7.04 0.02 -1.04 -2.44 113.55 119.00 13pk h SER 42 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 13pk h SER 42 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 13pk h SER 42 CO -0.14 0.07 -0.62 0.00 -1.14 0.00 0.00 176.83 175.00 13pk n ALA 43 N -2.20 3.10 -0.18 3.77 0.00 -0.57 -4.44 120.51 119.99 13pk n ALA 43 Ca -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.13 13pk n ALA 43 Cb 0.20 -1.15 0.09 0.00 0.00 0.00 0.00 19.45 18.59 13pk n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 13pk h LEU 44 N 0.00 0.04 -0.38 0.00 3.38 -1.21 -3.04 115.31 114.11 13pk h LEU 44 Ca 0.00 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.14 13pk h LEU 44 Cb 0.68 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.46 13pk h LEU 44 CO 0.00 0.04 -0.27 -0.65 0.09 0.00 0.00 178.44 177.65 13pk h PRO 45 N 0.27 -0.21 -0.59 1.13 0.11 -1.79 0.28 132.00 131.21 13pk h PRO 45 Ca 0.28 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.43 13pk h PRO 45 Cb 0.38 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.50 13pk h PRO 45 CO -0.34 -0.14 0.36 1.15 -0.21 0.00 0.00 178.00 178.82 13pk h THR 46 N -0.21 1.06 -0.79 -1.15 2.02 -1.86 0.66 112.91 112.64 13pk h THR 46 Ca 0.18 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 13pk h THR 46 Cb 0.50 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 13pk h THR 46 CO -0.50 0.13 0.31 -0.07 0.37 0.00 0.00 175.52 175.76 13pk h LEU 47 N 0.70 1.08 -0.46 2.58 3.38 -1.19 -1.91 115.31 119.49 13pk h LEU 47 Ca 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 13pk h LEU 47 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 13pk h LEU 47 CO -0.10 0.96 0.23 0.50 0.09 0.00 0.00 178.44 180.12 13pk h LYS 48 N 1.14 0.66 0.18 1.13 3.64 0.10 -1.48 116.57 121.95 13pk h LYS 48 Ca 0.26 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 13pk h LYS 48 Cb 0.21 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 13pk h LYS 48 CO -0.02 0.55 -0.41 -0.22 -2.27 0.00 0.00 179.45 177.08 13pk h LYS 49 N 0.61 -0.66 -0.90 1.90 3.11 -0.24 0.22 116.57 120.61 13pk h LYS 49 Ca 0.16 0.04 0.03 0.00 -2.81 0.00 0.00 60.65 58.08 13pk h LYS 49 Cb 0.10 0.15 -0.05 0.00 -1.00 0.00 0.00 32.23 31.42 13pk h LYS 49 CO -0.02 -0.44 0.59 -0.24 -2.81 0.00 0.00 179.45 176.52 13pk h VAL 50 N -0.68 1.15 -0.60 2.00 3.04 -1.22 0.13 116.25 120.07 13pk h VAL 50 Ca 0.01 -0.39 -0.08 0.00 -1.01 0.00 0.00 66.70 65.23 13pk h VAL 50 Cb 0.68 -0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 29.85 13pk h VAL 50 CO -0.20 0.21 0.04 -0.07 -1.01 0.00 0.00 177.57 176.54 13pk h LEU 51 N 1.14 0.98 -0.69 3.16 3.38 -0.73 0.26 115.31 122.81 13pk h LEU 51 Ca 0.36 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 13pk h LEU 51 Cb 0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 13pk h LEU 51 CO -0.12 1.01 -0.10 0.74 0.09 0.00 0.00 178.44 180.06 13pk h THR 52 N 0.94 1.26 0.00 0.22 2.02 0.05 -2.75 112.91 114.66 13pk h THR 52 Ca 0.18 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.15 13pk h THR 52 Cb 0.48 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 13pk h THR 52 CO 0.02 0.42 0.00 -0.62 0.37 0.00 0.00 175.52 175.71 13pk n GLU 53 N -4.16 0.60 -0.46 6.66 -0.58 0.40 -4.89 120.64 118.22 13pk n GLU 53 Ca 0.02 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 13pk n GLU 53 Cb 0.38 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 13pk n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 13pk n GLY 54 N 0.86 0.73 0.00 0.62 0.00 -0.83 -2.93 105.19 103.63 13pk n GLY 54 Ca 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.79 13pk n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 13pk n GLY 55 N -2.46 1.70 3.11 -0.02 0.00 0.02 -0.47 105.19 107.08 13pk n GLY 55 Ca 0.00 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.79 13pk n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 13pk s SER 56 N -1.00 1.13 -0.10 1.61 1.04 -0.87 0.14 113.70 115.65 13pk s SER 56 Ca 0.00 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.80 13pk s SER 56 Cb 0.00 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 13pk s SER 56 CO 0.00 -0.21 -0.13 0.00 0.98 0.00 0.00 173.24 173.88 13pk s VAL 58 N -0.00 1.71 0.09 0.00 0.11 -0.82 0.52 120.40 122.01 13pk s VAL 58 Ca -0.04 -1.75 -0.15 0.00 -2.93 0.00 0.00 61.98 57.11 13pk s VAL 58 Cb -0.14 -2.16 -0.07 0.00 -1.53 0.00 0.00 36.38 32.49 13pk s VAL 58 CO 0.04 -0.45 0.51 -0.76 -3.33 0.00 0.00 175.10 171.12 13pk s LEU 59 N 1.23 4.42 -0.04 2.54 1.43 0.13 -1.95 118.68 126.45 13pk s LEU 59 Ca 0.05 1.08 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 13pk s LEU 59 Cb -0.19 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.03 13pk s LEU 59 CO -0.12 0.20 -0.13 -0.04 0.23 0.00 0.00 176.35 176.49 13pk s MET 60 N -1.54 1.42 0.33 1.70 -1.94 -0.36 -1.33 119.30 117.60 13pk s MET 60 Ca 0.32 -0.46 -0.18 0.00 -1.71 0.00 0.00 55.69 53.66 13pk s MET 60 Cb -0.17 -1.26 0.05 0.00 2.01 0.00 0.00 34.83 35.46 13pk s MET 60 CO 0.18 0.17 0.80 0.45 -0.01 0.00 0.00 175.02 176.61 13pk s SER 61 N 0.15 -0.07 0.12 3.03 0.15 -1.26 -1.63 113.70 114.19 13pk s SER 61 Ca -0.04 -0.95 0.05 0.00 0.70 0.00 0.00 55.95 55.71 13pk s SER 61 Cb -0.11 0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 64.94 13pk s SER 61 CO 0.02 -1.51 -0.12 -1.38 1.20 0.00 0.00 173.24 171.44 13pk s HIS 62 N -2.71 1.27 -0.06 3.44 -3.43 -1.26 -1.24 115.29 111.30 13pk s HIS 62 Ca 0.15 -0.60 0.01 0.00 -0.80 0.00 0.00 55.06 53.81 13pk s HIS 62 Cb -0.05 -0.67 0.02 0.00 -1.43 0.00 0.00 32.58 30.45 13pk s HIS 62 CO 0.09 0.09 -0.06 -1.17 -2.00 0.00 0.00 174.74 171.70 13pk s LEU 63 N -2.50 1.26 0.00 5.38 2.96 -1.26 -3.36 118.68 121.16 13pk s LEU 63 Ca 0.08 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 13pk s LEU 63 Cb -0.04 -0.56 0.00 0.00 0.50 0.00 0.00 46.19 46.09 13pk s LEU 63 CO 0.02 -0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 13pk n GLY 64 N 4.27 0.81 2.28 7.98 0.00 -1.26 -4.32 105.19 114.95 13pk n GLY 64 Ca -0.20 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 13pk n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 13pk n ARG 65 N 3.86 0.55 -2.00 1.61 1.74 -1.26 -5.10 116.66 116.07 13pk n ARG 65 Ca 0.00 -3.14 -0.34 0.00 -0.77 0.00 0.00 57.85 53.60 13pk n ARG 65 Cb 0.00 -1.36 0.03 0.00 -1.02 0.00 0.00 32.46 30.10 13pk n ARG 65 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 13pk s PRO 66 N -0.71 3.07 0.25 5.56 0.04 -1.26 -4.93 135.00 137.02 13pk s PRO 66 Ca 0.34 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 13pk s PRO 66 Cb 0.13 -1.98 0.44 0.00 0.04 0.00 0.00 34.50 33.13 13pk s PRO 66 CO -0.14 -1.05 1.80 0.87 0.04 0.00 0.00 177.00 178.52 13pk h LYS 67 N 0.60 0.76 0.00 4.56 6.56 -1.87 -3.47 116.57 123.71 13pk h LYS 67 Ca -0.48 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.06 13pk h LYS 67 Cb 1.25 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 13pk h LYS 67 CO 0.55 0.50 0.00 0.41 -2.06 0.00 0.00 179.45 178.86 13pk n GLY 68 N -1.32 -1.47 3.07 3.86 0.00 -1.25 -4.78 105.19 103.30 13pk n GLY 68 Ca 0.15 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 13pk n GLY 68 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 13pk s ILE 69 N -2.79 0.10 0.34 -0.61 2.07 -0.68 -4.70 121.20 114.93 13pk s ILE 69 Ca 0.00 -0.80 -0.27 0.00 -1.41 0.00 0.00 60.65 58.17 13pk s ILE 69 Cb 0.00 -0.43 -0.09 0.00 0.13 0.00 0.00 42.46 42.07 13pk s ILE 69 CO 0.00 -0.44 1.14 -2.84 -1.91 0.00 0.00 174.94 170.89 13pk s PRO 70 N -1.54 4.36 0.30 3.50 0.02 -1.26 0.27 135.00 140.64 13pk s PRO 70 Ca -0.14 1.82 0.06 0.00 0.02 0.00 0.00 61.00 62.76 13pk s PRO 70 Cb -0.08 -2.92 0.74 0.00 0.02 0.00 0.00 34.50 32.26 13pk s PRO 70 CO 0.00 -0.05 1.77 0.52 -0.33 0.00 0.00 177.00 178.91 13pk h MET 71 N 3.21 0.70 -0.39 5.54 2.86 -1.96 -0.69 114.93 124.19 13pk h MET 71 Ca -0.48 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.18 13pk h MET 71 Cb 1.22 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.67 13pk h MET 71 CO 0.65 0.46 0.06 0.00 1.06 0.00 0.00 176.91 179.14 13pk h ALA 72 N 1.65 0.41 0.00 6.32 0.00 -2.04 -0.87 119.26 124.74 13pk h ALA 72 Ca 0.58 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.58 13pk h ALA 72 Cb 0.93 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 13pk h ALA 72 CO -0.40 -0.34 0.00 1.96 0.00 0.00 0.00 179.25 180.47 13pk h GLN 73 N 0.18 0.00 -0.04 0.00 4.20 -1.51 -3.11 115.11 114.84 13pk h GLN 73 Ca 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 13pk h GLN 73 Cb 0.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 13pk h GLN 73 CO -0.27 0.00 0.02 0.00 -0.67 0.00 0.00 178.83 177.91 13pk h ALA 74 N 2.10 0.05 -0.93 3.87 0.00 -0.93 -3.12 119.26 120.30 13pk h ALA 74 Ca 0.00 -0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.05 13pk h ALA 74 Cb 0.28 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.88 13pk h ALA 74 CO 0.00 -0.38 -0.11 0.78 0.00 0.00 0.00 179.25 179.54 13pk h GLY 75 N -0.07 0.89 0.88 0.00 0.00 -1.61 0.28 103.07 103.44 13pk h GLY 75 Ca 0.01 0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.59 13pk h GLY 75 CO -0.00 -0.40 0.20 0.50 0.00 0.00 0.00 176.54 176.84 13pk h LYS 76 N 0.02 0.40 0.20 4.80 6.56 -1.75 -1.83 116.57 124.96 13pk h LYS 76 Ca 0.49 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.06 13pk h LYS 76 Cb 0.87 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.43 13pk h LYS 76 CO -0.91 0.26 -0.19 0.82 -2.06 0.00 0.00 179.45 177.38 13pk h ILE 77 N 0.41 0.59 -0.21 1.86 1.08 -0.55 -2.09 117.51 118.60 13pk h ILE 77 Ca 0.15 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.68 13pk h ILE 77 Cb 0.03 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 13pk h ILE 77 CO -0.08 0.00 0.16 0.03 -0.69 0.00 0.00 178.15 177.57 13pk h ARG 78 N -0.41 0.00 -0.53 2.37 3.08 -0.80 0.19 114.38 118.28 13pk h ARG 78 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 13pk h ARG 78 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 13pk h ARG 78 CO -0.04 0.00 0.18 0.77 -1.07 0.00 0.00 179.97 179.81 13pk h SER 79 N 0.00 0.76 0.36 7.04 0.02 -0.66 -0.49 113.55 120.58 13pk h SER 79 Ca 0.10 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 13pk h SER 79 Cb 0.42 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 13pk h SER 79 CO -0.00 0.76 -0.25 0.74 -1.14 0.00 0.00 176.83 176.94 13pk h THR 80 N 0.73 1.00 0.00 -2.27 2.02 -0.32 -3.46 112.91 110.61 13pk h THR 80 Ca 0.17 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.44 13pk h THR 80 Cb 0.26 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 13pk h THR 80 CO -0.01 0.24 0.00 0.61 0.37 0.00 0.00 175.52 176.74 13pk n GLY 81 N -0.62 0.89 3.99 2.16 0.00 -0.19 -5.10 105.19 106.32 13pk n GLY 81 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 13pk n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 13pk s GLY 82 N -1.77 1.76 -0.28 -0.02 0.00 -0.90 -4.96 107.32 101.15 13pk s GLY 82 Ca 0.00 -1.77 -0.07 0.00 0.00 0.00 0.00 44.72 42.88 13pk s GLY 82 CO 0.00 -1.13 0.08 0.14 0.00 0.00 0.00 173.10 172.19 13pk s VAL 83 N -3.27 4.15 -0.22 1.40 1.01 -1.26 -4.07 120.40 118.14 13pk s VAL 83 Ca 0.69 -0.47 -0.38 0.00 0.00 0.00 0.00 61.98 61.81 13pk s VAL 83 Cb -0.04 -3.06 -0.14 0.00 0.00 0.00 0.00 36.38 33.14 13pk s VAL 83 CO 0.46 0.18 1.81 -2.65 0.00 0.00 0.00 175.10 174.89 13pk n PRO 84 N 4.90 1.51 -0.95 2.72 -0.02 -1.26 -1.41 135.00 140.49 13pk n PRO 84 Ca -0.15 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 13pk n PRO 84 Cb 0.49 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 13pk n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 13pk n GLY 85 N 4.34 0.40 3.65 -1.23 0.00 -1.25 -4.69 105.19 106.40 13pk n GLY 85 Ca 0.26 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 13pk n GLY 85 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 13pk n PHE 86 N -2.46 1.89 -3.47 1.61 7.35 -0.50 -4.56 117.46 117.31 13pk n PHE 86 Ca 0.00 0.53 -0.21 0.00 -0.76 0.00 0.00 57.45 57.02 13pk n PHE 86 Cb 0.13 -2.39 -0.12 0.00 0.35 0.00 0.00 39.48 37.45 13pk n PHE 86 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 13pk s GLN 87 N -0.76 0.23 0.34 -4.13 -0.21 -1.26 -5.04 119.66 108.84 13pk s GLN 87 Ca 0.66 -0.10 0.21 0.00 0.02 0.00 0.00 55.36 56.16 13pk s GLN 87 Cb -0.69 -1.03 1.21 0.00 1.00 0.00 0.00 33.01 33.51 13pk s GLN 87 CO 0.53 -0.87 1.37 0.94 -2.12 0.00 0.00 175.29 175.14 13pk n GLN 88 N 5.30 -0.05 0.05 2.91 -0.06 -1.26 0.45 117.38 124.72 13pk n GLN 88 Ca -0.04 1.16 0.11 0.00 -2.00 0.00 0.00 57.00 56.23 13pk n GLN 88 Cb 0.47 -2.15 0.44 0.00 -4.06 0.00 0.00 30.24 24.94 13pk n GLN 88 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 13pk n LYS 89 N -4.80 0.09 -0.18 3.69 0.00 -1.26 -3.26 118.16 112.44 13pk n LYS 89 Ca 0.34 0.23 0.09 0.00 -0.00 0.00 0.00 58.31 58.97 13pk n LYS 89 Cb 1.20 -1.64 0.16 0.00 -0.00 0.00 0.00 35.03 34.75 13pk n LYS 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 13pk n ALA 90 N -1.62 2.53 -1.78 0.58 0.00 0.17 -4.93 120.51 115.46 13pk n ALA 90 Ca 0.04 -2.67 -0.36 0.00 0.00 0.00 0.00 53.44 50.46 13pk n ALA 90 Cb 0.27 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 13pk n ALA 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 13pk s THR 91 N -2.92 3.39 -2.65 0.00 2.01 -1.20 -4.48 115.64 109.79 13pk s THR 91 Ca 0.34 0.96 0.24 0.00 0.31 0.00 0.00 61.69 63.55 13pk s THR 91 Cb 0.30 -3.45 0.36 0.00 0.01 0.00 0.00 72.50 69.73 13pk s THR 91 CO 0.03 -0.09 1.44 0.18 -0.69 0.00 0.00 174.62 175.48 13pk n LEU 92 N -0.71 2.63 0.04 4.42 4.77 -1.26 -4.47 117.00 122.43 13pk n LEU 92 Ca 0.08 -0.99 -0.11 0.00 -0.03 0.00 0.00 56.01 54.96 13pk n LEU 92 Cb 0.50 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 13pk n LEU 92 CO 0.44 0.50 0.66 0.50 -1.33 0.00 0.00 177.39 178.15 13pk h LYS 93 N 3.81 -0.42 -0.35 3.23 3.64 -1.94 0.34 116.57 124.88 13pk h LYS 93 Ca 0.00 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 13pk h LYS 93 Cb 0.82 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 13pk h LYS 93 CO 0.00 -0.28 0.24 -1.00 -2.27 0.00 0.00 179.45 176.15 13pk h PRO 94 N -0.43 0.11 -0.19 1.90 0.13 -1.90 0.82 132.00 132.44 13pk h PRO 94 Ca 0.07 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.09 13pk h PRO 94 Cb 0.54 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 13pk h PRO 94 CO -0.29 0.07 -0.34 0.28 -0.23 0.00 0.00 178.00 177.49 13pk h VAL 95 N 0.12 1.29 -0.57 1.56 2.07 -1.30 -0.86 116.25 118.55 13pk h VAL 95 Ca 0.16 -1.42 -0.07 0.00 0.82 0.00 0.00 66.70 66.19 13pk h VAL 95 Cb 0.50 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 13pk h VAL 95 CO -0.02 0.44 0.08 0.00 0.02 0.00 0.00 177.57 178.09 13pk h ALA 96 N 1.29 0.76 -0.18 1.67 0.00 0.76 0.78 119.26 124.35 13pk h ALA 96 Ca 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 13pk h ALA 96 Cb 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 13pk h ALA 96 CO 0.06 0.53 0.03 -0.22 0.00 0.00 0.00 179.25 179.65 13pk h LYS 97 N 0.86 0.29 0.30 0.00 3.11 -1.02 -1.79 116.57 118.31 13pk h LYS 97 Ca 0.17 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 13pk h LYS 97 Cb 0.44 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.63 13pk h LYS 97 CO 0.01 0.45 -0.17 -0.09 -2.81 0.00 0.00 179.45 176.85 13pk h ARG 98 N 0.09 -0.42 -0.84 1.90 9.65 -0.93 -2.16 114.38 121.67 13pk h ARG 98 Ca 0.05 0.03 0.16 0.00 -1.10 0.00 0.00 59.98 59.12 13pk h ARG 98 Cb 0.30 0.10 -0.10 0.00 -1.39 0.00 0.00 29.97 28.88 13pk h ARG 98 CO 0.00 -0.28 0.40 1.25 2.80 0.00 0.00 179.97 184.14 13pk h LEU 99 N -0.44 0.44 -1.28 3.80 5.85 -0.80 0.11 115.31 122.99 13pk h LEU 99 Ca -0.03 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 13pk h LEU 99 Cb 0.35 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 13pk h LEU 99 CO 0.04 0.16 0.26 -1.28 -0.34 0.00 0.00 178.44 177.28 13pk h SER 100 N 0.54 0.67 -0.32 1.25 0.87 -0.78 -0.14 113.55 115.64 13pk h SER 100 Ca 0.47 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.86 13pk h SER 100 Cb 0.73 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 13pk h SER 100 CO -0.40 0.57 -0.22 -0.33 -0.53 0.00 0.00 176.83 175.92 13pk h GLU 101 N 0.75 0.72 -0.15 2.24 5.08 -0.20 -1.80 114.58 121.23 13pk h GLU 101 Ca 0.19 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 13pk h GLU 101 Cb 0.08 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 13pk h GLU 101 CO -0.03 0.96 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.76 13pk h LEU 102 N 0.49 0.36 -1.55 1.33 3.38 -1.05 -3.12 115.31 115.15 13pk h LEU 102 Ca 0.06 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 13pk h LEU 102 Cb 0.78 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 13pk h LEU 102 CO 0.06 0.73 -0.00 -0.07 0.09 0.00 0.00 178.44 179.25 13pk h LEU 103 N -0.01 0.00 1.64 1.67 4.07 -1.08 -3.47 115.31 118.14 13pk h LEU 103 Ca 0.03 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.71 13pk h LEU 103 Cb 0.61 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 13pk h LEU 103 CO 0.03 0.00 -0.37 0.18 -1.08 0.00 0.00 178.44 177.20 13pk n LEU 104 N -3.09 -1.80 -3.62 1.67 4.77 -0.69 -4.99 117.00 109.25 13pk n LEU 104 Ca 0.00 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 13pk n LEU 104 Cb 0.29 -2.15 -0.05 0.00 -2.33 0.00 0.00 43.42 39.18 13pk n LEU 104 CO 0.27 -0.07 0.20 0.00 -1.33 0.00 0.00 177.39 176.46 13pk s ARG 105 N -4.85 1.01 0.64 3.23 1.70 -1.12 -5.07 118.95 114.50 13pk s ARG 105 Ca 0.05 -0.42 -0.18 0.00 -0.47 0.00 0.00 55.73 54.70 13pk s ARG 105 Cb -0.02 0.45 -0.01 0.00 -0.57 0.00 0.00 34.95 34.80 13pk s ARG 105 CO 0.06 -0.37 1.29 -2.14 -1.08 0.00 0.00 175.30 173.06 13pk s PRO 106 N -2.89 2.60 -0.17 3.89 0.02 -1.26 -4.40 135.00 132.78 13pk s PRO 106 Ca -0.03 2.05 -0.01 0.00 0.02 0.00 0.00 61.00 63.03 13pk s PRO 106 Cb -0.00 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.71 13pk s PRO 106 CO -0.05 -1.56 -0.02 0.08 -0.33 0.00 0.00 177.00 175.12 13pk s VAL 107 N -1.41 0.85 -0.13 3.83 1.01 -1.26 -4.35 120.40 118.95 13pk s VAL 107 Ca 0.82 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 13pk s VAL 107 Cb -0.37 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 13pk s VAL 107 CO 0.39 0.01 0.65 0.42 0.00 0.00 0.00 175.10 176.57 13pk s THR 108 N 1.73 5.05 -0.33 3.92 -4.23 -0.44 -4.86 115.64 116.48 13pk s THR 108 Ca 0.00 1.29 -0.17 0.00 -1.18 0.00 0.00 61.69 61.63 13pk s THR 108 Cb -0.16 -3.98 -0.01 0.00 1.34 0.00 0.00 72.50 69.69 13pk s THR 108 CO -0.07 0.20 0.48 0.12 -0.54 0.00 0.00 174.62 174.81 13pk s PHE 109 N 1.26 3.20 -0.47 3.99 5.36 -1.26 -0.66 117.98 129.39 13pk s PHE 109 Ca 0.33 0.21 -0.22 0.00 -0.96 0.00 0.00 56.93 56.29 13pk s PHE 109 Cb -0.17 -2.84 0.03 0.00 -0.34 0.00 0.00 43.02 39.70 13pk s PHE 109 CO 0.14 -0.48 0.72 0.00 -1.46 0.00 0.00 175.22 174.14 13pk s ALA 110 N 2.31 3.31 -0.89 11.12 0.00 0.87 -4.93 121.76 133.55 13pk s ALA 110 Ca 0.18 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.89 13pk s ALA 110 Cb -0.16 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.54 13pk s ALA 110 CO 0.12 -1.95 0.89 -0.35 0.00 0.00 0.00 175.76 174.47 13pk n PRO 111 N 6.55 0.00 -3.54 0.00 -0.04 -1.26 0.23 135.00 136.93 13pk n PRO 111 Ca -0.01 0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 63.71 13pk n PRO 111 Cb 0.47 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 13pk n PRO 111 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 13pk s ASP 112 N -2.77 0.49 0.53 3.54 -1.08 -1.26 -4.65 116.67 111.47 13pk s ASP 112 Ca 0.00 0.36 0.30 0.00 -0.52 0.00 0.00 52.55 52.69 13pk s ASP 112 Cb 0.00 0.82 1.48 0.00 -1.46 0.00 0.00 42.92 43.76 13pk s ASP 112 CO 0.00 -0.28 2.06 0.00 0.52 0.00 0.00 175.17 177.47 13pk n LEU 114 N -3.43 4.75 -2.70 0.00 4.77 -1.26 -4.31 117.00 114.82 13pk n LEU 114 Ca -0.01 -2.39 -0.06 0.00 -0.03 0.00 0.00 56.01 53.51 13pk n LEU 114 Cb 0.26 -0.58 0.06 0.00 -2.33 0.00 0.00 43.42 40.83 13pk n LEU 114 CO 0.29 0.82 0.10 -3.20 -1.33 0.00 0.00 177.39 174.06 13pk n ASN 115 N 1.18 0.52 -0.14 -1.43 5.15 -0.75 -4.90 115.26 114.88 13pk n ASN 115 Ca 0.26 -2.49 0.03 0.00 -0.60 0.00 0.00 54.58 51.78 13pk n ASN 115 Cb 0.88 -0.09 0.06 0.00 -0.53 0.00 0.00 39.78 40.10 13pk n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 13pk n ALA 116 N -0.39 2.11 -0.29 5.20 0.00 -1.22 -4.75 120.51 121.17 13pk n ALA 116 Ca 0.04 -1.34 0.08 0.00 0.00 0.00 0.00 53.44 52.22 13pk n ALA 116 Cb 0.83 -0.16 0.23 0.00 0.00 0.00 0.00 19.45 20.35 13pk n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 13pk h ALA 117 N 0.38 1.26 0.08 0.00 0.00 -1.92 0.34 119.26 119.40 13pk h ALA 117 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 13pk h ALA 117 Cb 0.65 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 13pk h ALA 117 CO 0.01 -0.16 -0.41 0.38 0.00 0.00 0.00 179.25 179.07 13pk h ASP 118 N 0.54 -1.21 -0.27 0.00 2.03 -2.00 0.24 116.42 115.75 13pk h ASP 118 Ca 0.47 0.14 -0.00 0.00 -0.73 0.00 0.00 57.03 56.91 13pk h ASP 118 Cb 0.73 0.46 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 13pk h ASP 118 CO -0.40 -0.47 0.16 0.58 -1.03 0.00 0.00 179.24 178.08 13pk h VAL 119 N -0.61 1.10 -0.32 4.15 2.07 -1.68 -2.59 116.25 118.37 13pk h VAL 119 Ca 0.03 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.32 13pk h VAL 119 Cb 0.66 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 13pk h VAL 119 CO -0.26 0.10 0.19 0.58 0.02 0.00 0.00 177.57 178.19 13pk h VAL 120 N 0.34 1.04 -0.93 2.57 2.07 -0.59 -2.51 116.25 118.23 13pk h VAL 120 Ca 0.10 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.60 13pk h VAL 120 Cb 0.02 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 13pk h VAL 120 CO -0.02 0.07 0.60 0.77 0.02 0.00 0.00 177.57 179.01 13pk h SER 121 N 0.38 0.82 0.22 0.57 4.64 -0.25 0.20 113.55 120.13 13pk h SER 121 Ca 0.12 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 13pk h SER 121 Cb -0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 13pk h SER 121 CO -0.06 0.46 0.00 0.29 -0.87 0.00 0.00 176.83 176.65 13pk n LYS 122 N -4.56 0.51 -2.02 4.77 5.02 -0.95 -4.87 118.16 116.06 13pk n LYS 122 Ca 0.17 0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 56.15 13pk n LYS 122 Cb 0.35 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.89 13pk n LYS 122 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 13pk s MET 123 N -2.30 3.04 0.10 1.97 -1.94 0.05 -5.06 119.30 115.17 13pk s MET 123 Ca 0.28 1.65 -0.00 0.00 -1.71 0.00 0.00 55.69 55.91 13pk s MET 123 Cb 0.15 -1.96 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 13pk s MET 123 CO 0.30 -1.11 -0.00 -1.12 -0.01 0.00 0.00 175.02 173.08 13pk s SER 124 N -1.88 0.59 0.30 3.03 0.01 -1.26 -5.07 113.70 109.42 13pk s SER 124 Ca 0.73 -1.09 -0.29 0.00 1.31 0.00 0.00 55.95 56.61 13pk s SER 124 Cb -0.26 0.21 -0.13 0.00 0.21 0.00 0.00 66.02 66.05 13pk s SER 124 CO 0.33 -0.62 1.27 -2.65 0.41 0.00 0.00 173.24 171.98 13pk n PRO 125 N -0.02 1.96 0.00 12.44 -0.02 -1.26 -1.57 135.00 146.52 13pk n PRO 125 Ca -0.10 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 13pk n PRO 125 Cb 0.62 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 13pk n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 13pk n GLY 126 N 1.23 2.61 3.80 -1.23 0.00 0.12 -4.93 105.19 106.79 13pk n GLY 126 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 13pk n GLY 126 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 13pk s ASP 127 N -1.28 7.01 -0.07 1.61 1.11 -0.61 -4.91 116.67 119.53 13pk s ASP 127 Ca 0.00 1.78 0.00 0.00 0.18 0.00 0.00 52.55 54.52 13pk s ASP 127 Cb 0.00 -2.56 0.02 0.00 1.07 0.00 0.00 42.92 41.45 13pk s ASP 127 CO 0.00 -0.31 -0.06 -0.69 1.18 0.00 0.00 175.17 175.30 13pk s VAL 128 N -1.94 0.74 -0.05 -1.27 1.01 -1.26 0.15 120.40 117.77 13pk s VAL 128 Ca 0.58 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.42 13pk s VAL 128 Cb -0.14 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.48 13pk s VAL 128 CO 0.18 0.29 -0.17 -0.69 0.00 0.00 0.00 175.10 174.72 13pk s VAL 129 N 1.30 1.44 -0.15 2.92 1.01 0.18 -1.32 120.40 125.78 13pk s VAL 129 Ca -0.04 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 13pk s VAL 129 Cb -0.14 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 13pk s VAL 129 CO -0.03 0.42 -0.14 -0.22 0.00 0.00 0.00 175.10 175.13 13pk s LEU 130 N 0.21 2.57 0.34 3.92 2.96 0.16 0.18 118.68 129.02 13pk s LEU 130 Ca -0.08 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.26 13pk s LEU 130 Cb -0.13 -1.59 -0.09 0.00 0.50 0.00 0.00 46.19 44.88 13pk s LEU 130 CO 0.03 0.10 0.74 -0.76 -1.32 0.00 0.00 176.35 175.15 13pk s LEU 131 N 0.72 4.02 1.07 -0.68 1.43 -0.44 -0.09 118.68 124.72 13pk s LEU 131 Ca -0.06 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 13pk s LEU 131 Cb -0.15 -4.08 0.22 0.00 0.03 0.00 0.00 46.19 42.21 13pk s LEU 131 CO 0.01 -0.24 0.99 1.21 0.23 0.00 0.00 176.35 178.56 13pk n GLU 132 N -0.53 -1.63 -1.46 1.70 4.07 0.14 -4.61 120.64 118.31 13pk n GLU 132 Ca 0.03 -0.43 -0.61 0.00 -0.06 0.00 0.00 57.16 56.10 13pk n GLU 132 Cb 0.53 -2.21 -0.10 0.00 -0.06 0.00 0.00 31.44 29.60 13pk n GLU 132 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 13pk n ASN 133 N -4.42 1.23 0.29 4.31 2.85 -1.26 -4.45 115.26 113.82 13pk n ASN 133 Ca 0.06 0.82 0.18 0.00 -0.11 0.00 0.00 54.58 55.54 13pk n ASN 133 Cb 0.54 -0.97 0.88 0.00 1.24 0.00 0.00 39.78 41.47 13pk n ASN 133 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 13pk h VAL 134 N 6.29 0.18 0.00 3.44 -1.51 -1.47 -2.15 116.25 121.02 13pk h VAL 134 Ca -0.25 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 13pk h VAL 134 Cb 1.38 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 13pk h VAL 134 CO 1.04 0.04 0.00 0.54 -1.23 0.00 0.00 177.57 177.95 13pk n ARG 135 N -3.26 0.99 0.03 5.19 1.74 -1.26 -2.88 116.66 117.21 13pk n ARG 135 Ca -0.01 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.16 13pk n ARG 135 Cb 0.21 -1.25 0.40 0.00 -1.02 0.00 0.00 32.46 30.79 13pk n ARG 135 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 13pk n PHE 136 N -0.75 0.21 -4.92 -1.55 3.01 -0.81 -3.80 117.46 108.86 13pk n PHE 136 Ca 0.12 0.08 -0.33 0.00 1.01 0.00 0.00 57.45 58.33 13pk n PHE 136 Cb 0.05 -0.63 -0.15 0.00 -0.01 0.00 0.00 39.48 38.74 13pk n PHE 136 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 13pk s TYR 137 N -3.07 2.72 0.49 1.38 2.02 -1.14 -1.68 117.35 118.07 13pk s TYR 137 Ca 0.08 -0.80 0.17 0.00 -0.37 0.00 0.00 57.07 56.15 13pk s TYR 137 Cb 0.11 -1.80 1.21 0.00 -0.40 0.00 0.00 41.96 41.08 13pk s TYR 137 CO 0.35 -0.30 2.08 0.87 -1.57 0.00 0.00 175.55 176.98 13pk h LYS 138 N 6.74 0.00 0.00 -0.62 1.57 -0.42 -2.76 116.57 121.07 13pk h LYS 138 Ca -0.24 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 13pk h LYS 138 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 13pk h LYS 138 CO 0.53 0.09 -0.15 1.05 -0.57 0.00 0.00 179.45 180.40 13pk h GLU 139 N 0.00 0.00 -0.58 3.15 9.09 -1.89 -1.97 114.58 122.37 13pk h GLU 139 Ca -0.00 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.52 13pk h GLU 139 Cb 0.17 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.19 13pk h GLU 139 CO 0.01 0.15 0.09 1.49 0.05 0.00 0.00 179.01 180.80 13pk h GLU 140 N 0.00 0.21 -0.48 1.06 4.22 -1.74 -2.01 114.58 115.85 13pk h GLU 140 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 13pk h GLU 140 Cb 0.30 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.50 13pk h GLU 140 CO 0.02 0.14 0.00 0.41 -2.18 0.00 0.00 179.01 177.40 13pk n GLY 141 N -1.32 3.00 3.69 1.92 0.00 -0.98 -0.35 105.19 111.14 13pk n GLY 141 Ca 0.08 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 13pk n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 13pk n SER 142 N 0.65 1.64 0.17 1.61 2.88 -0.75 -4.89 113.62 114.92 13pk n SER 142 Ca 0.20 0.82 0.11 0.00 -1.33 0.00 0.00 58.87 58.68 13pk n SER 142 Cb 0.71 -1.50 0.09 0.00 -0.75 0.00 0.00 64.21 62.76 13pk n SER 142 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 13pk h LYS 143 N 0.52 0.00 -6.31 -1.46 6.56 -1.91 -3.43 116.57 110.54 13pk h LYS 143 Ca -0.50 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 58.54 13pk h LYS 143 Cb 1.35 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.92 13pk h LYS 143 CO 0.52 0.02 1.00 0.15 -2.06 0.00 0.00 179.45 179.08 13pk s LYS 144 N -3.26 3.23 0.35 3.15 1.02 -1.26 -4.88 119.74 118.09 13pk s LYS 144 Ca 0.04 -0.21 0.15 0.00 0.02 0.00 0.00 55.97 55.97 13pk s LYS 144 Cb 0.07 -4.16 1.09 0.00 -0.52 0.00 0.00 37.83 34.32 13pk s LYS 144 CO 0.72 -2.04 1.67 0.00 -0.92 0.00 0.00 175.35 174.78 13pk h ALA 145 N 9.91 2.00 -0.41 5.17 0.00 -1.99 0.72 119.26 134.66 13pk h ALA 145 Ca -0.28 0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.88 13pk h ALA 145 Cb 1.05 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 13pk h ALA 145 CO 1.26 -0.59 0.06 1.57 0.00 0.00 0.00 179.25 181.54 13pk h LYS 146 N 0.33 0.18 -0.15 0.00 2.10 -1.97 1.00 116.57 118.06 13pk h LYS 146 Ca 0.73 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 59.36 13pk h LYS 146 Cb 1.68 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.97 13pk h LYS 146 CO -0.58 0.12 0.07 -0.44 -2.00 0.00 0.00 179.45 176.62 13pk h ASP 147 N 0.19 0.21 -0.03 7.07 3.32 0.04 -1.58 116.42 125.64 13pk h ASP 147 Ca 0.20 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.14 13pk h ASP 147 Cb 0.25 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 13pk h ASP 147 CO -0.28 0.29 -0.20 0.03 -1.72 0.00 0.00 179.24 177.37 13pk h ARG 148 N 0.10 -0.30 -0.28 3.56 3.08 -0.59 -2.06 114.38 117.90 13pk h ARG 148 Ca 0.05 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.15 13pk h ARG 148 Cb 0.15 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 13pk h ARG 148 CO -0.01 -0.20 0.19 0.93 -1.07 0.00 0.00 179.97 179.82 13pk h GLU 149 N -0.31 0.24 0.07 0.04 5.08 -0.67 0.61 114.58 119.64 13pk h GLU 149 Ca 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 13pk h GLU 149 Cb 0.40 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 13pk h GLU 149 CO -0.21 0.16 -0.05 0.00 -1.00 0.00 0.00 179.01 177.91 13pk h ALA 150 N 1.84 -0.11 0.19 3.43 0.00 -0.56 0.81 119.26 124.86 13pk h ALA 150 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 13pk h ALA 150 Cb 0.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 13pk h ALA 150 CO -0.02 -0.57 -0.09 1.98 0.00 0.00 0.00 179.25 180.55 13pk h MET 151 N -0.12 -0.25 -0.98 0.00 1.85 -1.11 -3.01 114.93 111.32 13pk h MET 151 Ca -0.00 0.02 0.24 0.00 -0.61 0.00 0.00 59.70 59.34 13pk h MET 151 Cb 0.11 0.06 -0.07 0.00 0.43 0.00 0.00 31.60 32.12 13pk h MET 151 CO -0.00 0.05 0.65 0.00 -0.40 0.00 0.00 176.91 177.21 13pk h ALA 152 N 0.18 2.31 -0.90 0.39 0.00 -0.77 0.11 119.26 120.57 13pk h ALA 152 Ca -0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.95 13pk h ALA 152 Cb 0.41 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 13pk h ALA 152 CO 0.04 -0.64 0.58 0.87 0.00 0.00 0.00 179.25 180.10 13pk h LYS 153 N 0.36 1.08 0.09 0.00 1.57 -0.69 0.25 116.57 119.23 13pk h LYS 153 Ca 0.52 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.23 13pk h LYS 153 Cb 1.40 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.47 13pk h LYS 153 CO -0.20 0.71 -0.04 0.82 -0.57 0.00 0.00 179.45 180.16 13pk h ILE 154 N 1.11 1.15 -0.57 1.86 2.04 -0.86 -2.85 117.51 119.39 13pk h ILE 154 Ca 0.37 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 65.24 13pk h ILE 154 Cb 0.04 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 13pk h ILE 154 CO -0.13 0.25 0.27 -0.07 0.00 0.00 0.00 178.15 178.47 13pk h LEU 155 N -0.62 0.37 -2.49 1.44 4.07 -1.24 0.33 115.31 117.17 13pk h LEU 155 Ca -0.01 0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.00 13pk h LEU 155 Cb 0.50 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 13pk h LEU 155 CO 0.02 0.25 0.09 0.00 -1.08 0.00 0.00 178.44 177.71 13pk h ALA 156 N 1.33 1.46 0.00 1.53 0.00 -0.51 0.25 119.26 123.33 13pk h ALA 156 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 13pk h ALA 156 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 13pk h ALA 156 CO -0.20 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 177.81 13pk n SER 157 N -3.57 0.54 0.04 0.00 3.41 0.10 -3.38 113.62 110.76 13pk n SER 157 Ca -0.02 0.59 -0.07 0.00 -0.26 0.00 0.00 58.87 59.12 13pk n SER 157 Cb 0.17 -0.72 0.10 0.00 -0.26 0.00 0.00 64.21 63.50 13pk n SER 157 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 13pk h TYR 158 N 0.00 0.53 -4.57 7.33 0.05 -0.50 -3.48 116.97 116.33 13pk h TYR 158 Ca 0.00 -0.18 -0.43 0.00 0.05 0.00 0.00 58.73 58.16 13pk h TYR 158 Cb 0.49 -0.10 -0.11 0.00 1.01 0.00 0.00 36.73 38.01 13pk h TYR 158 CO 0.00 0.87 -0.42 0.41 -1.05 0.00 0.00 178.16 177.97 13pk n GLY 159 N 0.18 3.03 0.06 3.88 0.00 -1.22 -4.95 105.19 106.17 13pk n GLY 159 Ca -0.03 -1.88 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 13pk n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 13pk n ASP 160 N -1.81 1.29 -4.92 1.61 8.00 0.89 -4.95 116.55 116.65 13pk n ASP 160 Ca 0.07 0.37 -0.27 0.00 0.71 0.00 0.00 54.79 55.66 13pk n ASP 160 Cb 0.54 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 13pk n ASP 160 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 13pk s VAL 161 N -2.09 5.14 -0.07 2.53 0.11 -1.02 -4.95 120.40 120.05 13pk s VAL 161 Ca -0.15 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 13pk s VAL 161 Cb 0.02 -3.76 0.02 0.00 -1.53 0.00 0.00 36.38 31.13 13pk s VAL 161 CO 0.22 -0.29 -0.05 -0.47 -3.33 0.00 0.00 175.10 171.19 13pk s TYR 162 N -2.01 0.95 -0.02 1.54 6.14 -1.26 0.10 117.35 122.79 13pk s TYR 162 Ca 0.40 -0.34 0.05 0.00 0.64 0.00 0.00 57.07 57.82 13pk s TYR 162 Cb -0.11 -0.85 -0.01 0.00 0.42 0.00 0.00 41.96 41.41 13pk s TYR 162 CO 0.30 -0.29 -0.16 0.96 0.64 0.00 0.00 175.55 177.00 13pk s ILE 163 N 1.29 1.28 -0.09 3.14 -5.25 -0.03 -1.33 121.20 120.22 13pk s ILE 163 Ca -0.05 -0.69 0.00 0.00 -0.99 0.00 0.00 60.65 58.93 13pk s ILE 163 Cb -0.14 -1.07 -0.03 0.00 2.95 0.00 0.00 42.46 44.18 13pk s ILE 163 CO -0.02 0.36 -0.08 -0.55 -1.79 0.00 0.00 174.94 172.86 13pk s SER 164 N -0.33 4.51 0.00 4.36 0.15 -0.45 -2.14 113.70 119.80 13pk s SER 164 Ca 0.05 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.60 13pk s SER 164 Cb -0.07 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 13pk s SER 164 CO -0.00 0.31 0.32 -0.67 1.20 0.00 0.00 173.24 174.40 13pk n ASP 165 N 2.58 0.51 -2.52 5.45 2.03 0.51 -0.60 116.55 124.52 13pk n ASP 165 Ca -0.18 -1.09 -0.24 0.00 0.52 0.00 0.00 54.79 53.80 13pk n ASP 165 Cb 0.53 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.83 13pk n ASP 165 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 13pk n ALA 166 N -0.05 6.64 -1.76 -1.67 0.00 -0.32 -4.04 120.51 119.31 13pk n ALA 166 Ca 0.00 -2.71 -0.42 0.00 0.00 0.00 0.00 53.44 50.31 13pk n ALA 166 Cb 0.20 -2.48 -0.02 0.00 0.00 0.00 0.00 19.45 17.16 13pk n ALA 166 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 13pk s PHE 167 N 0.12 2.77 0.00 0.00 2.19 -1.26 -0.54 117.98 121.25 13pk s PHE 167 Ca 0.64 0.74 0.00 0.00 0.33 0.00 0.00 56.93 58.63 13pk s PHE 167 Cb 0.30 -4.07 0.00 0.00 -1.31 0.00 0.00 43.02 37.94 13pk s PHE 167 CO -0.09 -3.66 0.00 0.41 1.83 0.00 0.00 175.22 173.71 13pk n GLY 168 N 2.35 2.31 0.00 13.12 0.00 -1.26 -4.63 105.19 117.07 13pk n GLY 168 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 13pk n GLY 168 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 13pk n THR 169 N -0.31 0.00 0.33 2.61 -1.04 0.30 -4.52 114.28 111.64 13pk n THR 169 Ca 0.00 -0.28 0.21 0.00 -2.04 0.00 0.00 64.05 61.94 13pk n THR 169 Cb 0.00 0.88 1.12 0.00 -1.82 0.00 0.00 70.33 70.52 13pk n THR 169 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 13pk h ALA 170 N 0.00 1.09 0.00 2.41 0.00 -1.67 -0.56 119.26 120.53 13pk h ALA 170 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 13pk h ALA 170 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 13pk h ALA 170 CO 0.00 0.01 -0.51 1.12 0.00 0.00 0.00 179.25 179.86 13pk h HIS 171 N 0.00 0.00 -3.27 0.00 2.07 -1.89 0.22 115.15 112.29 13pk h HIS 171 Ca -0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.92 13pk h HIS 171 Cb 0.05 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 29.91 13pk h HIS 171 CO 0.00 0.51 -0.50 1.03 -3.07 0.00 0.00 177.93 175.91 13pk s ARG 172 N -3.25 4.16 0.20 5.12 0.52 -0.22 -4.45 118.95 121.04 13pk s ARG 172 Ca 0.02 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 54.69 13pk s ARG 172 Cb 0.10 -3.40 -0.08 0.00 0.52 0.00 0.00 34.95 32.09 13pk s ARG 172 CO 0.73 0.30 1.07 0.34 0.02 0.00 0.00 175.30 177.75 13pk s ASP 173 N 0.35 7.34 0.26 0.23 -1.08 -1.26 -4.59 116.67 117.92 13pk s ASP 173 Ca 0.07 2.09 -0.21 0.00 -0.52 0.00 0.00 52.55 53.99 13pk s ASP 173 Cb -0.11 -2.61 0.06 0.00 -1.46 0.00 0.00 42.92 38.80 13pk s ASP 173 CO -0.02 -0.14 0.89 -0.94 0.52 0.00 0.00 175.17 175.48 13pk s SER 174 N -0.42 -0.08 0.00 -0.34 1.04 -1.26 -4.93 113.70 107.71 13pk s SER 174 Ca 0.47 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.15 13pk s SER 174 Cb -0.29 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.48 13pk s SER 174 CO 0.35 -1.25 0.81 0.00 0.98 0.00 0.00 173.24 174.13 13pk n ALA 175 N -0.55 -0.22 0.05 5.32 0.00 0.52 -0.46 120.51 125.17 13pk n ALA 175 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.46 13pk n ALA 175 Cb 0.60 0.12 0.50 0.00 0.00 0.00 0.00 19.45 20.67 13pk n ALA 175 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 13pk h THR 176 N 0.00 1.03 0.04 0.00 1.35 -1.92 0.70 112.91 114.11 13pk h THR 176 Ca 0.00 -0.13 -0.00 0.00 -0.55 0.00 0.00 66.41 65.73 13pk h THR 176 Cb 0.00 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 13pk h THR 176 CO 0.00 0.07 -0.02 0.24 -0.25 0.00 0.00 175.52 175.56 13pk h MET 177 N 0.37 -0.05 0.00 4.72 2.07 -1.88 -3.40 114.93 116.76 13pk h MET 177 Ca 0.14 0.00 -0.15 0.00 -2.07 0.00 0.00 59.70 57.63 13pk h MET 177 Cb 0.11 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.82 13pk h MET 177 CO -0.03 0.62 -1.55 0.25 1.07 0.00 0.00 176.91 177.26 13pk n THR 178 N -4.75 0.56 0.40 2.22 -2.24 0.39 -4.73 114.28 106.12 13pk n THR 178 Ca -0.08 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.23 13pk n THR 178 Cb 0.34 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.69 13pk n THR 178 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 13pk h GLY 179 N 1.38 -1.06 -0.13 3.38 0.00 0.27 -2.99 103.07 103.91 13pk h GLY 179 Ca -0.22 0.39 0.08 0.00 0.00 0.00 0.00 47.33 47.59 13pk h GLY 179 CO 0.00 -0.38 -0.29 -2.22 0.00 0.00 0.00 176.54 173.65 13pk h ILE 180 N -1.03 0.27 -0.68 2.60 2.04 -1.55 -0.45 117.51 118.70 13pk h ILE 180 Ca -0.10 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.79 13pk h ILE 180 Cb 0.78 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 13pk h ILE 180 CO 0.17 0.00 0.42 1.55 0.00 0.00 0.00 178.15 180.29 13pk h PRO 181 N -0.22 0.79 -0.09 2.37 0.13 -1.78 0.65 132.00 133.86 13pk h PRO 181 Ca 0.18 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.31 13pk h PRO 181 Cb 0.51 -0.18 -0.05 0.00 0.13 0.00 0.00 31.00 31.41 13pk h PRO 181 CO -0.53 0.52 -0.25 -0.22 -0.23 0.00 0.00 178.00 177.30 13pk h LYS 182 N 0.82 -0.32 -0.17 0.86 3.64 -1.11 1.06 116.57 121.34 13pk h LYS 182 Ca 0.28 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.60 13pk h LYS 182 Cb 0.04 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 13pk h LYS 182 CO -0.12 -0.22 -0.26 0.82 -2.27 0.00 0.00 179.45 177.40 13pk h ILE 183 N -0.34 1.25 0.00 2.00 2.04 -0.70 -3.09 117.51 118.67 13pk h ILE 183 Ca 0.09 -1.19 -0.18 0.00 1.00 0.00 0.00 64.86 64.58 13pk h ILE 183 Cb 0.47 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 13pk h ILE 183 CO -0.28 0.36 -0.86 0.25 0.00 0.00 0.00 178.15 177.62 13pk h LEU 184 N 0.28 0.00 0.00 1.44 5.85 0.19 -3.47 115.31 119.60 13pk h LEU 184 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 13pk h LEU 184 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 13pk h LEU 184 CO 0.04 0.86 0.00 0.61 -0.34 0.00 0.00 178.44 179.61 13pk n GLY 185 N 0.97 0.72 3.21 3.75 0.00 0.35 -5.00 105.19 109.19 13pk n GLY 185 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 13pk n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 13pk s ASN 186 N -2.44 -0.22 -0.30 1.61 2.20 -1.13 -5.03 114.94 109.63 13pk s ASN 186 Ca 0.00 0.26 -0.20 0.00 -0.94 0.00 0.00 52.86 51.97 13pk s ASN 186 Cb 0.00 0.42 0.19 0.00 -2.00 0.00 0.00 41.25 39.86 13pk s ASN 186 CO 0.00 -0.31 1.27 -0.83 -2.94 0.00 0.00 177.10 174.28 13pk s GLY 187 N -0.78 0.37 0.02 0.45 0.00 -1.24 -4.32 107.32 101.82 13pk s GLY 187 Ca -0.09 3.52 -0.00 0.00 0.00 0.00 0.00 44.72 48.15 13pk s GLY 187 CO 0.03 2.35 -0.03 0.00 0.00 0.00 0.00 173.10 175.44 13pk s ALA 188 N 0.62 0.17 0.08 3.20 0.00 -0.44 -0.19 121.76 125.20 13pk s ALA 188 Ca -0.01 -0.66 -0.31 0.00 0.00 0.00 0.00 51.96 50.98 13pk s ALA 188 Cb -0.04 0.16 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 13pk s ALA 188 CO -0.12 -0.18 1.26 0.00 0.00 0.00 0.00 175.76 176.72 13pk s ALA 189 N -1.71 3.46 0.84 0.00 0.00 0.35 -1.34 121.76 123.35 13pk s ALA 189 Ca -0.13 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.64 13pk s ALA 189 Cb -0.08 -3.48 0.10 0.00 0.00 0.00 0.00 23.12 19.66 13pk s ALA 189 CO -0.02 -0.50 1.17 0.20 0.00 0.00 0.00 175.76 176.61 13pk s GLY 190 N 1.09 1.59 0.26 0.00 0.00 0.23 -1.86 107.32 108.62 13pk s GLY 190 Ca 0.61 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.69 13pk s GLY 190 CO 0.29 -0.11 1.81 -0.97 0.00 0.00 0.00 173.10 174.12 13pk h TYR 191 N -1.19 0.95 -0.08 1.90 0.05 -1.94 -0.21 116.97 116.44 13pk h TYR 191 Ca -0.47 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.33 13pk h TYR 191 Cb 1.33 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 13pk h TYR 191 CO 0.28 0.34 0.01 1.25 -1.05 0.00 0.00 178.16 178.99 13pk h LEU 192 N 0.82 0.13 -0.01 3.88 5.85 -1.87 0.09 115.31 124.20 13pk h LEU 192 Ca 0.45 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.93 13pk h LEU 192 Cb 0.49 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 13pk h LEU 192 CO -0.28 0.37 -0.32 -0.03 -0.34 0.00 0.00 178.44 177.84 13pk h MET 193 N -0.12 -0.45 -0.24 1.25 4.05 -1.57 0.24 114.93 118.10 13pk h MET 193 Ca 0.02 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 13pk h MET 193 Cb 0.30 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.17 13pk h MET 193 CO 0.00 -0.30 -0.22 0.93 0.23 0.00 0.00 176.91 177.55 13pk h GLU 194 N -0.47 -0.10 -0.57 0.39 5.08 -0.86 -0.82 114.58 117.23 13pk h GLU 194 Ca 0.06 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.54 13pk h GLU 194 Cb 0.56 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.72 13pk h GLU 194 CO -0.27 -0.07 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.27 13pk h LYS 195 N -0.10 -0.04 0.73 2.33 3.64 -0.58 -1.36 116.57 121.18 13pk h LYS 195 Ca 0.04 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 13pk h LYS 195 Cb 0.21 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 13pk h LYS 195 CO -0.28 -0.03 -0.43 0.93 -2.27 0.00 0.00 179.45 177.37 13pk h GLU 196 N -0.04 -1.04 -0.60 1.90 4.39 0.35 -2.28 114.58 117.26 13pk h GLU 196 Ca 0.27 0.07 0.11 0.00 0.34 0.00 0.00 59.36 60.15 13pk h GLU 196 Cb 0.46 0.24 -0.12 0.00 -0.10 0.00 0.00 28.75 29.23 13pk h GLU 196 CO -0.61 -0.69 -0.27 0.82 -1.16 0.00 0.00 179.01 177.10 13pk h ILE 197 N -1.08 0.23 -0.71 3.13 2.04 -0.99 -1.03 117.51 119.11 13pk h ILE 197 Ca -0.10 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.91 13pk h ILE 197 Cb 0.86 0.23 -0.10 0.00 -0.74 0.00 0.00 36.82 37.07 13pk h ILE 197 CO 0.11 0.00 0.19 0.28 0.00 0.00 0.00 178.15 178.73 13pk h SER 198 N -0.11 0.06 0.06 1.72 0.02 -1.10 0.11 113.55 114.31 13pk h SER 198 Ca 0.26 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.34 13pk h SER 198 Cb 0.53 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.24 13pk h SER 198 CO -0.67 -0.00 -0.03 0.22 -1.14 0.00 0.00 176.83 175.20 13pk h TYR 199 N 0.30 -0.08 -0.87 3.45 3.20 -0.60 -2.58 116.97 119.79 13pk h TYR 199 Ca 0.39 -0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.52 13pk h TYR 199 Cb 0.65 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 13pk h TYR 199 CO -0.24 -0.05 0.74 0.74 -1.64 0.00 0.00 178.16 177.71 13pk h PHE 200 N -0.10 0.00 0.00 -3.82 0.04 -1.39 0.45 116.94 112.12 13pk h PHE 200 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 13pk h PHE 200 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 13pk h PHE 200 CO 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.88 13pk n ALA 201 N -2.55 0.00 0.21 2.45 0.00 0.36 0.34 120.51 121.32 13pk n ALA 201 Ca 0.18 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.80 13pk n ALA 201 Cb 1.04 0.00 0.76 0.00 0.00 0.00 0.00 19.45 21.25 13pk n ALA 201 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 13pk h LYS 202 N 0.00 0.00 0.00 0.00 5.09 -1.29 -0.47 116.57 119.90 13pk h LYS 202 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 13pk h LYS 202 Cb 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.33 13pk h LYS 202 CO 0.00 0.00 -0.03 0.28 -2.09 0.00 0.00 179.45 177.61 13pk h VAL 203 N 0.00 1.05 -0.38 0.07 2.07 -0.20 -3.35 116.25 115.52 13pk h VAL 203 Ca 0.10 -1.80 -0.25 0.00 0.82 0.00 0.00 66.70 65.57 13pk h VAL 203 Cb 0.91 2.00 -0.10 0.00 -1.52 0.00 0.00 31.29 32.58 13pk h VAL 203 CO -0.00 0.36 0.26 0.18 0.02 0.00 0.00 177.57 178.38 13pk n LEU 204 N -4.67 6.11 -0.01 2.57 4.32 0.15 -3.16 117.00 122.31 13pk n LEU 204 Ca -0.07 -3.13 -0.01 0.00 -0.02 0.00 0.00 56.01 52.78 13pk n LEU 204 Cb 0.29 -1.11 -0.00 0.00 -1.62 0.00 0.00 43.42 40.98 13pk n LEU 204 CO 0.20 1.25 -0.06 0.61 -1.22 0.00 0.00 177.39 178.16 13pk n GLY 205 N 0.82 -0.54 2.48 -0.72 0.00 -0.95 -4.77 105.19 101.52 13pk n GLY 205 Ca 0.25 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 13pk n GLY 205 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 13pk n ASN 206 N -2.64 3.23 -4.67 1.61 5.03 -1.24 -5.08 115.26 111.49 13pk n ASN 206 Ca -0.01 -3.36 -0.47 0.00 0.87 0.00 0.00 54.58 51.61 13pk n ASN 206 Cb 0.05 -0.64 -0.04 0.00 -1.02 0.00 0.00 39.78 38.12 13pk n ASN 206 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 13pk n PRO 207 N 0.67 2.18 -1.53 3.52 -0.04 -1.19 -4.80 135.00 133.81 13pk n PRO 207 Ca 0.29 0.79 -0.39 0.00 -0.04 0.00 0.00 63.50 64.14 13pk n PRO 207 Cb 0.44 -2.59 -0.07 0.00 -0.04 0.00 0.00 33.50 31.24 13pk n PRO 207 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 13pk n PRO 208 N 4.64 0.80 -2.39 0.54 -0.02 -1.26 -4.93 135.00 132.38 13pk n PRO 208 Ca 0.19 0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.37 13pk n PRO 208 Cb 0.29 -2.82 -0.02 0.00 -0.02 0.00 0.00 33.50 30.94 13pk n PRO 208 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 13pk s ARG 209 N 8.20 3.57 0.71 -0.52 1.81 -1.26 -2.40 118.95 129.05 13pk s ARG 209 Ca 1.10 1.47 -0.15 0.00 -1.72 0.00 0.00 55.73 56.43 13pk s ARG 209 Cb -0.54 -2.05 0.03 0.00 -0.45 0.00 0.00 34.95 31.93 13pk s ARG 209 CO 0.35 -0.65 1.16 -2.14 -0.68 0.00 0.00 175.30 173.35 13pk s PRO 210 N -3.29 2.39 -0.21 3.54 0.02 -1.26 -4.49 135.00 131.69 13pk s PRO 210 Ca 0.70 1.59 0.01 0.00 0.02 0.00 0.00 61.00 63.32 13pk s PRO 210 Cb -0.20 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 32.48 13pk s PRO 210 CO 0.24 -1.61 -0.11 -1.17 -0.33 0.00 0.00 177.00 174.02 13pk s LEU 211 N -5.08 2.45 -0.15 -5.54 2.96 -1.26 -1.09 118.68 110.97 13pk s LEU 211 Ca 0.71 -0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 13pk s LEU 211 Cb -0.25 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 13pk s LEU 211 CO 0.44 -0.14 0.01 0.54 -1.32 0.00 0.00 176.35 175.88 13pk s VAL 212 N 1.34 4.34 -0.26 1.68 0.11 -0.47 -0.37 120.40 126.77 13pk s VAL 212 Ca -0.02 -0.20 -0.07 0.00 -2.93 0.00 0.00 61.98 58.75 13pk s VAL 212 Cb -0.17 -2.91 -0.02 0.00 -1.53 0.00 0.00 36.38 31.75 13pk s VAL 212 CO -0.08 0.51 0.08 0.00 -3.33 0.00 0.00 175.10 172.27 13pk s ALA 213 N 0.09 3.14 -0.26 1.54 0.00 -0.15 -1.14 121.76 124.99 13pk s ALA 213 Ca 0.02 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 50.70 13pk s ALA 213 Cb -0.13 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 13pk s ALA 213 CO 0.02 -0.59 0.11 0.42 0.00 0.00 0.00 175.76 175.72 13pk s ILE 214 N 1.59 4.57 -0.05 0.00 1.09 0.13 -0.59 121.20 127.94 13pk s ILE 214 Ca 0.06 -0.13 0.03 0.00 -1.10 0.00 0.00 60.65 59.51 13pk s ILE 214 Cb -0.16 -3.17 0.00 0.00 -1.06 0.00 0.00 42.46 38.08 13pk s ILE 214 CO 0.03 0.29 -0.13 0.54 -0.10 0.00 0.00 174.94 175.57 13pk s VAL 215 N 1.65 1.16 0.00 2.92 0.11 -0.15 -0.90 120.40 125.18 13pk s VAL 215 Ca 0.06 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 13pk s VAL 215 Cb -0.16 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 13pk s VAL 215 CO 0.06 0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 13pk n GLY 216 N 3.43 4.81 7.00 6.54 0.00 0.56 -1.58 105.19 125.96 13pk n GLY 216 Ca -0.20 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.26 13pk n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 13pk n GLY 217 N 0.00 0.13 0.00 -0.02 0.00 0.32 -4.39 105.19 101.23 13pk n GLY 217 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 13pk n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 13pk n ALA 218 N 6.31 0.00 -3.17 4.61 0.00 -1.26 -0.22 120.51 126.78 13pk n ALA 218 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 13pk n ALA 218 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 13pk n ALA 218 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 13pk n LYS 219 N 0.00 -4.14 -0.14 0.00 5.02 -1.26 -4.80 118.16 112.84 13pk n LYS 219 Ca 0.00 0.70 -0.06 0.00 -2.02 0.00 0.00 58.31 56.92 13pk n LYS 219 Cb 0.00 -5.48 -0.00 0.00 -0.02 0.00 0.00 35.03 29.52 13pk n LYS 219 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 13pk h VAL 220 N -1.16 0.24 -0.99 -0.18 2.07 -1.95 0.14 116.25 114.42 13pk h VAL 220 Ca -0.48 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.25 13pk h VAL 220 Cb 1.33 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 31.24 13pk h VAL 220 CO 0.55 0.00 0.62 0.77 0.02 0.00 0.00 177.57 179.53 13pk h SER 221 N -0.21 0.65 0.00 0.57 4.64 -1.99 0.50 113.55 117.70 13pk h SER 221 Ca 0.20 0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.48 13pk h SER 221 Cb 0.53 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 13pk h SER 221 CO -0.57 0.21 -0.70 0.44 -0.87 0.00 0.00 176.83 175.34 13pk h ASP 222 N 0.62 0.00 -0.58 4.97 5.19 -1.75 -3.32 116.42 121.54 13pk h ASP 222 Ca 0.57 -0.71 0.04 0.00 -0.62 0.00 0.00 57.03 56.30 13pk h ASP 222 Cb 1.09 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 13pk h ASP 222 CO -0.34 1.26 0.39 0.50 -3.12 0.00 0.00 179.24 177.94 13pk h LYS 223 N -1.00 0.63 -0.12 3.56 3.64 -0.50 -1.11 116.57 121.67 13pk h LYS 223 Ca -0.19 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.11 13pk h LYS 223 Cb 1.16 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 13pk h LYS 223 CO -0.12 0.42 -0.13 0.97 -2.27 0.00 0.00 179.45 178.32 13pk h ILE 224 N 0.65 1.16 0.00 2.00 2.10 -0.16 -1.22 117.51 122.04 13pk h ILE 224 Ca 0.24 -0.72 0.00 0.00 1.08 0.00 0.00 64.86 65.46 13pk h ILE 224 Cb 0.13 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 13pk h ILE 224 CO -0.07 0.22 0.00 0.00 -1.08 0.00 0.00 178.15 177.23 13pk n GLN 225 N -4.30 0.11 0.05 2.19 6.02 -0.42 -2.64 117.38 118.39 13pk n GLN 225 Ca -0.01 0.25 0.12 0.00 -0.01 0.00 0.00 57.00 57.34 13pk n GLN 225 Cb 0.25 -1.67 0.06 0.00 1.02 0.00 0.00 30.24 29.90 13pk n GLN 225 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 13pk n LEU 226 N -1.87 0.66 -0.14 1.08 4.77 -0.46 -4.21 117.00 116.83 13pk n LEU 226 Ca 0.04 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 13pk n LEU 226 Cb 0.27 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 13pk n LEU 226 CO 0.21 -0.04 0.85 -0.07 -1.33 0.00 0.00 177.39 177.01 13pk h LEU 227 N 0.00 0.63 -0.41 2.23 3.38 -1.51 -3.13 115.31 116.50 13pk h LEU 227 Ca 0.00 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.80 13pk h LEU 227 Cb 0.81 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 13pk h LEU 227 CO 0.00 0.72 -0.14 0.44 0.09 0.00 0.00 178.44 179.55 13pk h ASP 228 N 0.51 -0.49 0.00 -0.43 3.32 -1.73 -1.14 116.42 116.46 13pk h ASP 228 Ca 0.12 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.31 13pk h ASP 228 Cb 0.35 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.19 13pk h ASP 228 CO 0.01 -0.17 0.00 -0.46 -1.72 0.00 0.00 179.24 176.89 13pk n ASN 229 N -5.34 0.08 0.00 6.45 6.94 -1.19 -2.90 115.26 119.31 13pk n ASN 229 Ca 0.02 -1.55 0.00 0.00 -0.02 0.00 0.00 54.58 53.03 13pk n ASN 229 Cb 0.25 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 13pk n ASN 229 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 13pk n MET 230 N -0.43 -0.31 0.24 -3.83 0.00 -0.44 -3.25 117.12 109.09 13pk n MET 230 Ca 0.00 -0.36 0.10 0.00 0.00 0.00 0.00 57.70 57.43 13pk n MET 230 Cb 0.02 -0.85 0.61 0.00 0.00 0.00 0.00 33.22 33.00 13pk n MET 230 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 13pk h LEU 231 N 0.00 0.00 -0.66 3.17 3.38 -1.41 -2.17 115.31 117.62 13pk h LEU 231 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 13pk h LEU 231 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 13pk h LEU 231 CO 0.00 0.18 -0.59 1.56 0.09 0.00 0.00 178.44 179.68 13pk h GLN 232 N 0.00 0.25 0.16 1.13 7.50 -1.85 -3.30 115.11 119.00 13pk h GLN 232 Ca -0.00 -0.17 -0.34 0.00 0.50 0.00 0.00 58.65 58.64 13pk h GLN 232 Cb 0.42 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.98 13pk h GLN 232 CO 0.02 0.77 -1.75 0.00 -1.50 0.00 0.00 178.83 176.37 13pk h ARG 233 N 0.19 0.34 -6.87 1.46 2.47 -1.78 -3.48 114.38 106.70 13pk h ARG 233 Ca -0.00 -0.57 -0.48 0.00 -1.26 0.00 0.00 59.98 57.66 13pk h ARG 233 Cb 1.09 0.21 0.03 0.00 -1.65 0.00 0.00 29.97 29.66 13pk h ARG 233 CO 0.09 1.24 0.05 0.96 0.56 0.00 0.00 179.97 182.87 13pk s ILE 234 N -2.58 4.70 -0.08 2.04 -4.36 -0.86 -4.85 121.20 115.21 13pk s ILE 234 Ca -0.15 -0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.30 13pk s ILE 234 Cb 0.06 -3.78 -0.10 0.00 1.25 0.00 0.00 42.46 39.89 13pk s ILE 234 CO 0.84 -0.71 0.01 0.47 0.24 0.00 0.00 174.94 175.80 13pk n ASP 235 N -2.21 2.98 -4.10 4.36 8.00 0.50 -4.66 116.55 121.42 13pk n ASP 235 Ca 0.00 -0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 13pk n ASP 235 Cb 0.56 0.61 -0.13 0.00 -0.02 0.00 0.00 41.12 42.14 13pk n ASP 235 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 13pk s TYR 236 N -2.20 0.99 -0.29 1.24 1.51 -0.85 -1.11 117.35 116.64 13pk s TYR 236 Ca -0.05 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 55.63 13pk s TYR 236 Cb 0.03 -0.59 0.09 0.00 -0.11 0.00 0.00 41.96 41.38 13pk s TYR 236 CO 0.33 0.00 0.09 -1.17 -1.11 0.00 0.00 175.55 173.70 13pk s LEU 237 N -1.15 1.73 -0.11 -1.29 2.96 -0.43 -0.97 118.68 119.42 13pk s LEU 237 Ca -0.01 -1.44 -0.21 0.00 -0.22 0.00 0.00 54.13 52.25 13pk s LEU 237 Cb -0.08 -0.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 13pk s LEU 237 CO 0.01 -0.40 0.58 -0.76 -1.32 0.00 0.00 176.35 174.46 13pk s LEU 238 N 1.75 4.28 -0.12 -0.68 1.43 0.24 -0.61 118.68 124.97 13pk s LEU 238 Ca 0.08 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 13pk s LEU 238 Cb -0.17 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.19 13pk s LEU 238 CO -0.25 -0.08 -0.19 -0.63 0.23 0.00 0.00 176.35 175.43 13pk s ILE 239 N 0.83 1.82 0.00 -0.59 1.01 -0.70 -0.98 121.20 122.60 13pk s ILE 239 Ca 0.31 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.12 13pk s ILE 239 Cb -0.16 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.68 13pk s ILE 239 CO 0.13 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.19 13pk n GLY 240 N 4.08 5.56 7.00 6.18 0.00 -0.61 -4.00 105.19 123.40 13pk n GLY 240 Ca -0.20 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.33 13pk n GLY 240 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 13pk n GLY 241 N 0.71 0.83 0.23 -0.02 0.00 -0.42 -3.05 105.19 103.47 13pk n GLY 241 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 13pk n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 13pk h ALA 242 N -0.94 1.33 -0.99 4.61 0.00 -0.90 -3.12 119.26 119.25 13pk h ALA 242 Ca 0.00 -0.29 0.32 0.00 0.00 0.00 0.00 54.91 54.94 13pk h ALA 242 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.55 13pk h ALA 242 CO 0.00 0.46 0.54 1.98 0.00 0.00 0.00 179.25 182.23 13pk h MET 243 N 0.25 0.29 -0.44 0.00 1.85 -1.60 -1.70 114.93 113.59 13pk h MET 243 Ca 0.04 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.14 13pk h MET 243 Cb 0.54 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.48 13pk h MET 243 CO 0.04 0.20 0.25 0.00 -0.40 0.00 0.00 176.91 176.99 13pk h ALA 244 N 1.85 0.56 -0.94 0.39 0.00 -1.47 -3.15 119.26 116.50 13pk h ALA 244 Ca 0.73 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.77 13pk h ALA 244 Cb 1.65 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 13pk h ALA 244 CO -0.62 -0.09 0.60 1.88 0.00 0.00 0.00 179.25 181.02 13pk h TYR 245 N 0.49 0.96 -0.20 0.00 0.05 -1.51 0.76 116.97 117.52 13pk h TYR 245 Ca 0.18 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 13pk h TYR 245 Cb 0.04 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 13pk h TYR 245 CO -0.08 0.37 0.08 1.15 -1.05 0.00 0.00 178.16 178.63 13pk h THR 246 N 0.82 1.16 -0.30 -2.88 2.02 -1.68 -1.59 112.91 110.46 13pk h THR 246 Ca 0.47 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 13pk h THR 246 Cb 0.61 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 13pk h THR 246 CO -0.23 0.16 0.14 -0.26 0.37 0.00 0.00 175.52 175.70 13pk h PHE 247 N 0.17 0.44 -0.81 3.16 0.04 -1.24 -1.29 116.94 117.40 13pk h PHE 247 Ca 0.07 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.85 13pk h PHE 247 Cb 0.18 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 13pk h PHE 247 CO -0.01 0.39 0.51 -0.07 -0.60 0.00 0.00 178.31 178.54 13pk h LEU 248 N 0.35 0.84 -0.46 1.54 3.38 -0.80 -0.68 115.31 119.48 13pk h LEU 248 Ca 0.10 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 13pk h LEU 248 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 13pk h LEU 248 CO -0.01 0.58 -0.02 0.50 0.09 0.00 0.00 178.44 179.58 13pk h LYS 249 N 0.99 0.82 -0.14 1.13 3.64 -1.07 -1.17 116.57 120.77 13pk h LYS 249 Ca 0.33 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 13pk h LYS 249 Cb 0.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 13pk h LYS 249 CO -0.12 0.89 0.08 0.00 -2.27 0.00 0.00 179.45 178.03 13pk h ALA 250 N 0.91 1.89 0.00 5.00 0.00 -0.66 0.17 119.26 126.57 13pk h ALA 250 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 13pk h ALA 250 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 13pk h ALA 250 CO 0.03 0.10 0.00 1.96 0.00 0.00 0.00 179.25 181.34 13pk h GLN 251 N 0.19 0.00 0.00 0.00 4.20 -0.16 -3.47 115.11 115.86 13pk h GLN 251 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 13pk h GLN 251 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 13pk h GLN 251 CO -0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.56 13pk n GLY 252 N 0.83 1.52 3.96 3.46 0.00 0.61 -5.08 105.19 110.49 13pk n GLY 252 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 13pk n GLY 252 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 13pk s TYR 253 N -2.00 3.10 -0.08 1.61 2.02 -0.58 -4.99 117.35 116.43 13pk s TYR 253 Ca 0.00 -0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.20 13pk s TYR 253 Cb 0.00 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 13pk s TYR 253 CO 0.00 0.07 0.96 -1.12 -1.57 0.00 0.00 175.55 173.89 13pk s SER 254 N -4.12 7.24 0.00 2.29 0.01 -1.26 -4.35 113.70 113.50 13pk s SER 254 Ca 0.43 1.51 0.17 0.00 1.31 0.00 0.00 55.95 59.37 13pk s SER 254 Cb -0.09 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.47 13pk s SER 254 CO 0.30 -0.36 0.77 -0.38 0.41 0.00 0.00 173.24 173.97 13pk n ILE 255 N 4.32 0.00 -4.12 1.44 -0.00 -1.26 0.36 119.36 120.10 13pk n ILE 255 Ca 0.07 -0.16 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 13pk n ILE 255 Cb 0.50 1.06 0.00 0.00 -0.00 0.00 0.00 39.64 41.19 13pk n ILE 255 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 13pk n GLY 256 N 1.35 2.35 1.16 7.39 0.00 -1.19 -1.56 105.19 114.68 13pk n GLY 256 Ca 0.04 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.68 13pk n GLY 256 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 13pk n LYS 257 N 11.09 2.53 -1.95 1.61 5.02 0.34 -4.95 118.16 131.86 13pk n LYS 257 Ca 0.00 -1.35 -0.32 0.00 -2.02 0.00 0.00 58.31 54.62 13pk n LYS 257 Cb 0.00 -1.79 0.02 0.00 -0.02 0.00 0.00 35.03 33.24 13pk n LYS 257 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 13pk s SER 258 N -0.29 5.68 0.21 4.39 0.01 -0.60 -4.71 113.70 118.39 13pk s SER 258 Ca 0.24 1.78 -0.32 0.00 1.31 0.00 0.00 55.95 58.96 13pk s SER 258 Cb 0.18 -2.53 -0.13 0.00 0.21 0.00 0.00 66.02 63.76 13pk s SER 258 CO 0.07 -1.23 1.65 1.17 0.41 0.00 0.00 173.24 175.30 13pk n LYS 259 N -2.25 2.54 -3.68 12.44 0.00 -1.26 -5.00 118.16 120.95 13pk n LYS 259 Ca 0.09 0.92 -0.14 0.00 0.00 0.00 0.00 58.31 59.17 13pk n LYS 259 Cb 0.53 -2.72 -0.08 0.00 0.00 0.00 0.00 35.03 32.76 13pk n LYS 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 13pk s GLU 261 N -0.59 4.11 0.55 0.00 0.41 -1.26 -4.84 118.70 117.07 13pk s GLU 261 Ca -0.07 -3.01 0.34 0.00 -0.41 0.00 0.00 54.97 51.83 13pk s GLU 261 Cb -0.03 -4.63 1.52 0.00 -1.78 0.00 0.00 34.13 29.20 13pk s GLU 261 CO 0.04 -1.34 1.83 0.93 -0.49 0.00 0.00 175.26 176.23 13pk h GLU 262 N 6.91 0.00 -0.50 1.61 4.39 -1.97 0.59 114.58 125.61 13pk h GLU 262 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 13pk h GLU 262 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 13pk h GLU 262 CO 1.02 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.74 13pk n SER 263 N -4.16 1.93 0.00 1.42 3.41 -1.26 -3.70 113.62 111.26 13pk n SER 263 Ca 0.22 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 13pk n SER 263 Cb 1.13 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 13pk n SER 263 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 13pk n LYS 264 N 0.25 2.81 -0.27 4.33 4.01 0.21 -4.85 118.16 124.65 13pk n LYS 264 Ca 0.09 -0.16 0.06 0.00 -0.51 0.00 0.00 58.31 57.80 13pk n LYS 264 Cb 0.37 -0.59 0.18 0.00 -0.51 0.00 0.00 35.03 34.48 13pk n LYS 264 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 13pk h LEU 265 N 0.00 -0.34 -0.65 -0.35 3.38 -1.63 0.54 115.31 116.27 13pk h LEU 265 Ca 0.00 0.20 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 13pk h LEU 265 Cb 0.05 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 13pk h LEU 265 CO 0.00 -0.19 -0.26 -0.33 0.09 0.00 0.00 178.44 177.75 13pk h GLU 266 N 0.10 0.79 -0.51 1.13 5.08 -1.88 -1.97 114.58 117.32 13pk h GLU 266 Ca 0.44 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 13pk h GLU 266 Cb 0.79 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 13pk h GLU 266 CO -0.69 0.96 0.31 0.35 -1.00 0.00 0.00 179.01 178.93 13pk h PHE 267 N 0.68 0.57 -0.19 4.33 3.57 -0.49 -0.59 116.94 124.83 13pk h PHE 267 Ca 0.09 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.64 13pk h PHE 267 Cb 0.78 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 13pk h PHE 267 CO 0.04 0.33 -0.05 0.00 -2.23 0.00 0.00 178.31 176.40 13pk h ALA 268 N 1.22 0.11 -0.59 2.41 0.00 0.06 -0.12 119.26 122.36 13pk h ALA 268 Ca 0.20 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.22 13pk h ALA 268 Cb 0.01 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 13pk h ALA 268 CO -0.09 -0.49 0.34 0.00 0.00 0.00 0.00 179.25 179.02 13pk h ARG 269 N -0.01 0.64 -0.49 0.00 3.08 -0.80 0.12 114.38 116.92 13pk h ARG 269 Ca 0.09 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 13pk h ARG 269 Cb 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 13pk h ARG 269 CO -0.20 0.42 -0.12 1.03 -1.07 0.00 0.00 179.97 180.03 13pk h SER 270 N 0.66 0.90 -0.73 7.04 0.87 -0.74 -1.84 113.55 119.71 13pk h SER 270 Ca 0.25 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 13pk h SER 270 Cb 0.09 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 13pk h SER 270 CO -0.13 1.03 0.29 0.25 -0.53 0.00 0.00 176.83 177.73 13pk h LEU 271 N 0.81 1.02 -0.88 2.23 6.46 -0.32 -0.76 115.31 123.88 13pk h LEU 271 Ca 0.13 -0.16 -0.07 0.00 -0.12 0.00 0.00 57.88 57.66 13pk h LEU 271 Cb 0.64 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 13pk h LEU 271 CO 0.04 0.91 0.05 -0.07 -0.62 0.00 0.00 178.44 178.75 13pk h LEU 272 N 1.08 0.84 0.56 2.25 3.38 -0.55 0.34 115.31 123.22 13pk h LEU 272 Ca 0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 13pk h LEU 272 Cb 0.21 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.75 13pk h LEU 272 CO -0.02 0.88 -0.27 0.11 0.09 0.00 0.00 178.44 179.23 13pk h LYS 273 N 0.83 -0.73 -0.92 1.13 6.56 -0.63 -1.95 116.57 120.86 13pk h LYS 273 Ca 0.16 0.05 0.10 0.00 -1.06 0.00 0.00 60.65 59.90 13pk h LYS 273 Cb 0.43 0.17 -0.08 0.00 -0.57 0.00 0.00 32.23 32.18 13pk h LYS 273 CO 0.01 -0.46 0.56 0.87 -2.06 0.00 0.00 179.45 178.38 13pk h LYS 274 N -0.83 0.91 -0.33 3.15 1.57 -1.04 -0.24 116.57 119.76 13pk h LYS 274 Ca -0.08 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.71 13pk h LYS 274 Cb 0.61 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 13pk h LYS 274 CO 0.13 0.60 -0.07 0.00 -0.57 0.00 0.00 179.45 179.53 13pk h ALA 275 N 1.48 0.23 0.24 3.86 0.00 -0.63 0.45 119.26 124.90 13pk h ALA 275 Ca 0.44 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.48 13pk h ALA 275 Cb 0.37 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 13pk h ALA 275 CO -0.24 -0.46 -0.24 0.93 0.00 0.00 0.00 179.25 179.24 13pk h GLU 276 N 0.01 -0.50 -0.80 0.00 5.08 -0.40 -0.37 114.58 117.60 13pk h GLU 276 Ca 0.16 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.68 13pk h GLU 276 Cb 0.24 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 13pk h GLU 276 CO -0.33 -0.33 0.53 -0.44 -1.00 0.00 0.00 179.01 177.43 13pk h ASP 277 N -0.52 0.55 -0.24 1.42 5.19 -0.28 0.35 116.42 122.90 13pk h ASP 277 Ca -0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 13pk h ASP 277 Cb 0.48 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.90 13pk h ASP 277 CO -0.05 0.30 0.00 0.54 -3.12 0.00 0.00 179.24 176.90 13pk n ARG 278 N -4.51 1.65 -3.42 3.56 5.12 0.15 -4.93 116.66 114.28 13pk n ARG 278 Ca 0.15 -0.99 -0.17 0.00 -1.93 0.00 0.00 57.85 54.90 13pk n ARG 278 Cb 0.44 -1.28 0.08 0.00 -1.16 0.00 0.00 32.46 30.55 13pk n ARG 278 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 13pk n LYS 279 N 0.27 -5.81 -4.10 5.56 5.02 0.11 -4.82 118.16 114.39 13pk n LYS 279 Ca 0.12 0.84 -0.32 0.00 -2.02 0.00 0.00 58.31 56.92 13pk n LYS 279 Cb 0.26 -5.81 -0.16 0.00 -0.02 0.00 0.00 35.03 29.30 13pk n LYS 279 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 13pk s VAL 280 N -3.38 2.01 -0.70 -0.18 1.01 -0.21 -4.72 120.40 114.23 13pk s VAL 280 Ca 0.07 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 13pk s VAL 280 Cb -0.01 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.53 13pk s VAL 280 CO 0.74 0.42 1.17 -1.58 0.00 0.00 0.00 175.10 175.84 13pk s GLN 281 N 1.28 3.20 0.01 2.72 0.74 -0.27 -4.23 119.66 123.11 13pk s GLN 281 Ca 0.02 -0.38 -0.22 0.00 0.05 0.00 0.00 55.36 54.83 13pk s GLN 281 Cb -0.14 -4.18 -0.05 0.00 1.10 0.00 0.00 33.01 29.74 13pk s GLN 281 CO -0.11 -1.99 0.67 0.08 -0.55 0.00 0.00 175.29 173.38 13pk s VAL 282 N 5.13 4.84 -0.03 1.34 1.01 -1.26 -1.31 120.40 130.13 13pk s VAL 282 Ca 0.32 1.40 0.04 0.00 0.00 0.00 0.00 61.98 63.74 13pk s VAL 282 Cb -0.11 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 13pk s VAL 282 CO 0.15 0.39 -0.16 -0.63 0.00 0.00 0.00 175.10 174.85 13pk s ILE 283 N -0.10 1.28 0.39 2.22 1.01 0.22 -4.92 121.20 121.30 13pk s ILE 283 Ca 0.34 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.40 13pk s ILE 283 Cb -0.19 -1.08 -0.08 0.00 0.01 0.00 0.00 42.46 41.12 13pk s ILE 283 CO 0.19 0.37 -0.00 -0.76 0.00 0.00 0.00 174.94 174.74 13pk s LEU 284 N -0.15 2.79 0.30 2.97 1.43 -1.26 -1.71 118.68 123.04 13pk s LEU 284 Ca 0.01 -1.34 -0.29 0.00 -1.03 0.00 0.00 54.13 51.48 13pk s LEU 284 Cb -0.09 -0.86 -0.13 0.00 0.03 0.00 0.00 46.19 45.14 13pk s LEU 284 CO 0.01 -0.43 1.26 -2.65 0.23 0.00 0.00 176.35 174.76 13pk n PRO 285 N -0.91 1.91 -0.07 1.29 -0.02 -1.26 -4.91 135.00 131.03 13pk n PRO 285 Ca -0.05 0.67 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 13pk n PRO 285 Cb 0.66 -2.23 -0.14 0.00 -0.02 0.00 0.00 33.50 31.78 13pk n PRO 285 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 13pk n ILE 286 N 0.75 1.55 -4.14 4.25 5.41 -1.26 -4.75 119.36 121.17 13pk n ILE 286 Ca 0.08 -0.73 -0.11 0.00 1.00 0.00 0.00 62.75 62.98 13pk n ILE 286 Cb 0.34 -1.09 -0.09 0.00 -0.71 0.00 0.00 39.64 38.09 13pk n ILE 286 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 13pk s ASP 287 N -6.20 0.08 0.12 4.38 -4.77 -1.26 -2.93 116.67 106.10 13pk s ASP 287 Ca -0.17 -1.25 0.00 0.00 -3.30 0.00 0.00 52.55 47.83 13pk s ASP 287 Cb 0.07 0.44 -0.04 0.00 -1.09 0.00 0.00 42.92 42.30 13pk s ASP 287 CO 0.76 -0.93 0.00 -1.00 0.70 0.00 0.00 175.17 174.71 13pk s HIS 288 N -4.12 0.90 -0.20 2.11 3.76 -1.26 -1.66 115.29 114.83 13pk s HIS 288 Ca 0.34 -1.08 -0.03 0.00 -0.15 0.00 0.00 55.06 54.14 13pk s HIS 288 Cb 0.05 -0.53 -0.01 0.00 1.11 0.00 0.00 32.58 33.19 13pk s HIS 288 CO 0.11 -0.33 -0.06 0.08 -0.85 0.00 0.00 174.74 173.69 13pk s VAL 289 N -3.83 3.37 0.27 -0.90 1.01 0.13 -1.22 120.40 119.23 13pk s VAL 289 Ca 0.18 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.67 13pk s VAL 289 Cb 0.07 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 13pk s VAL 289 CO -0.01 0.45 0.09 0.00 0.00 0.00 0.00 175.10 175.63 13pk s HIS 291 N -3.65 -0.56 0.05 0.00 2.46 -0.56 -0.46 115.29 112.56 13pk s HIS 291 Ca 0.37 0.50 0.33 0.00 0.47 0.00 0.00 55.06 56.74 13pk s HIS 291 Cb 0.08 0.52 1.30 0.00 -0.13 0.00 0.00 32.58 34.35 13pk s HIS 291 CO 0.14 -0.79 1.95 1.79 -2.47 0.00 0.00 174.74 175.36 13pk h THR 292 N 2.23 0.00 -3.49 0.89 1.35 -1.86 0.38 112.91 112.41 13pk h THR 292 Ca -0.32 -0.52 -0.10 0.00 -0.55 0.00 0.00 66.41 64.92 13pk h THR 292 Cb 1.27 1.51 -0.16 0.00 -1.73 0.00 0.00 68.15 69.04 13pk h THR 292 CO 0.38 0.00 -0.32 -1.83 -0.25 0.00 0.00 175.52 173.50 13pk s GLU 293 N -3.63 0.77 -0.83 4.72 -1.05 -1.26 -4.80 118.70 112.63 13pk s GLU 293 Ca 0.02 -0.63 -0.06 0.00 -0.15 0.00 0.00 54.97 54.15 13pk s GLU 293 Cb 0.09 0.33 -0.05 0.00 -0.44 0.00 0.00 34.13 34.05 13pk s GLU 293 CO 0.54 -0.24 2.00 0.34 0.95 0.00 0.00 175.26 178.85 13pk n PHE 294 N 0.51 1.27 -3.95 4.83 -0.00 -1.26 -4.76 117.46 114.09 13pk n PHE 294 Ca -0.18 -1.82 -0.13 0.00 -0.00 0.00 0.00 57.45 55.32 13pk n PHE 294 Cb 0.60 -1.57 -0.14 0.00 -0.00 0.00 0.00 39.48 38.36 13pk n PHE 294 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 13pk s LYS 295 N 3.65 0.12 0.53 -4.13 1.02 -1.26 -5.14 119.74 114.53 13pk s LYS 295 Ca 0.37 -0.05 -0.20 0.00 0.02 0.00 0.00 55.97 56.11 13pk s LYS 295 Cb 0.09 -0.13 -0.06 0.00 -0.52 0.00 0.00 37.83 37.22 13pk s LYS 295 CO -0.02 0.03 1.15 0.00 -0.92 0.00 0.00 175.35 175.59 13pk s ALA 296 N 0.00 2.74 -0.24 5.17 0.00 -1.26 -4.99 121.76 123.18 13pk s ALA 296 Ca 0.00 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 52.71 13pk s ALA 296 Cb -0.01 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.80 13pk s ALA 296 CO -0.00 -0.82 0.59 0.54 0.00 0.00 0.00 175.76 176.08 13pk s VAL 297 N -1.68 -0.01 0.24 0.00 0.11 -1.26 -5.08 120.40 112.72 13pk s VAL 297 Ca 0.71 0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 59.49 13pk s VAL 297 Cb -0.26 -0.86 -0.11 0.00 -1.53 0.00 0.00 36.38 33.61 13pk s VAL 297 CO 0.30 0.01 1.63 -1.81 -3.33 0.00 0.00 175.10 171.90 13pk s ASP 298 N 1.49 6.41 -0.92 3.54 1.11 -1.26 -3.34 116.67 123.71 13pk s ASP 298 Ca -0.09 2.87 -0.04 0.00 0.18 0.00 0.00 52.55 55.47 13pk s ASP 298 Cb -0.06 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.28 13pk s ASP 298 CO -0.16 -0.92 0.82 -1.20 1.18 0.00 0.00 175.17 174.89 13pk n SER 299 N 3.06 -7.09 -3.66 0.27 7.64 -1.26 -5.02 113.62 107.54 13pk n SER 299 Ca 0.12 -0.45 -0.26 0.00 1.01 0.00 0.00 58.87 59.29 13pk n SER 299 Cb 0.37 -5.17 0.19 0.00 -1.01 0.00 0.00 64.21 58.58 13pk n SER 299 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 13pk n PRO 300 N -2.62 -1.28 -2.38 1.43 -0.04 -1.21 -4.99 135.00 123.90 13pk n PRO 300 Ca -0.04 -1.80 -0.42 0.00 -0.04 0.00 0.00 63.50 61.19 13pk n PRO 300 Cb 0.57 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 13pk n PRO 300 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 13pk s LEU 301 N 0.00 4.29 -0.27 1.53 2.96 0.40 -4.82 118.68 122.76 13pk s LEU 301 Ca 0.66 1.91 -0.01 0.00 -0.22 0.00 0.00 54.13 56.48 13pk s LEU 301 Cb -0.02 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.15 13pk s LEU 301 CO 0.47 -0.64 -0.05 -0.51 -1.32 0.00 0.00 176.35 174.31 13pk s ILE 302 N 2.32 2.78 1.01 6.68 1.10 -1.26 0.18 121.20 134.01 13pk s ILE 302 Ca 0.59 -1.28 -0.12 0.00 -0.51 0.00 0.00 60.65 59.32 13pk s ILE 302 Cb -0.27 -2.52 0.20 0.00 0.15 0.00 0.00 42.46 40.02 13pk s ILE 302 CO 0.23 0.04 1.09 0.42 -2.11 0.00 0.00 174.94 174.61 13pk s THR 303 N 1.25 2.02 -0.11 4.00 -4.23 -0.36 -4.95 115.64 113.26 13pk s THR 303 Ca -0.04 0.01 0.10 0.00 -1.18 0.00 0.00 61.69 60.58 13pk s THR 303 Cb -0.18 -2.49 -0.14 0.00 1.34 0.00 0.00 72.50 71.03 13pk s THR 303 CO -0.03 -0.01 0.03 -0.62 -0.54 0.00 0.00 174.62 173.45 13pk n GLU 304 N -4.23 2.06 -2.70 3.99 -0.58 -1.26 -4.36 120.64 113.55 13pk n GLU 304 Ca 0.05 -0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.62 13pk n GLU 304 Cb 0.57 -1.30 0.04 0.00 -0.57 0.00 0.00 31.44 30.19 13pk n GLU 304 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 13pk n ASP 305 N -2.44 1.80 0.04 1.62 8.00 -1.26 -4.70 116.55 119.61 13pk n ASP 305 Ca -0.19 -2.27 0.13 0.00 0.71 0.00 0.00 54.79 53.16 13pk n ASP 305 Cb 0.87 -0.29 0.33 0.00 -0.02 0.00 0.00 41.12 42.01 13pk n ASP 305 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 13pk n GLN 306 N -1.93 0.14 -2.67 -1.24 3.00 -1.15 -3.98 117.38 109.55 13pk n GLN 306 Ca 0.11 0.06 -0.40 0.00 -0.01 0.00 0.00 57.00 56.76 13pk n GLN 306 Cb 0.48 -1.61 -0.05 0.00 0.00 0.00 0.00 30.24 29.06 13pk n GLN 306 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 13pk s ASN 307 N -3.66 7.50 -0.12 1.08 0.01 -1.26 -4.65 114.94 113.83 13pk s ASN 307 Ca 0.10 1.97 0.01 0.00 -0.71 0.00 0.00 52.86 54.22 13pk s ASN 307 Cb 0.16 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.20 13pk s ASN 307 CO 0.65 -0.00 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.46 13pk s ILE 308 N -0.69 2.92 0.30 0.60 1.01 0.16 -4.82 121.20 120.67 13pk s ILE 308 Ca 0.44 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 13pk s ILE 308 Cb -0.27 -2.21 -0.13 0.00 0.01 0.00 0.00 42.46 39.87 13pk s ILE 308 CO 0.33 0.53 1.34 -2.65 0.00 0.00 0.00 174.94 174.49 13pk n PRO 309 N 3.42 2.09 -0.32 2.79 -0.02 -1.26 -3.17 135.00 138.53 13pk n PRO 309 Ca -0.18 0.74 0.20 0.00 -2.02 0.00 0.00 63.50 62.24 13pk n PRO 309 Cb 0.53 -2.35 0.41 0.00 -0.02 0.00 0.00 33.50 32.06 13pk n PRO 309 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 13pk h GLU 310 N 3.25 0.17 -0.01 -0.52 3.07 -1.94 0.16 114.58 118.75 13pk h GLU 310 Ca -0.45 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 13pk h GLU 310 Cb 1.28 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 13pk h GLU 310 CO 0.68 0.11 0.00 0.41 -1.40 0.00 0.00 179.01 178.81 13pk n GLY 311 N -1.35 -0.64 3.70 -3.84 0.00 -1.26 -3.34 105.19 98.47 13pk n GLY 311 Ca 0.28 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 13pk n GLY 311 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 13pk s HIS 312 N -1.99 2.65 -0.05 1.61 3.76 0.56 -4.30 115.29 117.53 13pk s HIS 312 Ca 0.42 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.93 13pk s HIS 312 Cb 0.21 -1.63 0.02 0.00 1.11 0.00 0.00 32.58 32.28 13pk s HIS 312 CO 0.34 0.36 -0.08 0.00 -0.85 0.00 0.00 174.74 174.51 13pk s MET 313 N -3.81 1.23 -0.01 1.40 0.23 0.12 0.13 119.30 118.58 13pk s MET 313 Ca 0.37 -0.26 -0.30 0.00 -1.03 0.00 0.00 55.69 54.47 13pk s MET 313 Cb -0.01 -1.09 -0.03 0.00 -1.53 0.00 0.00 34.83 32.17 13pk s MET 313 CO 0.22 -0.01 1.04 0.00 -2.03 0.00 0.00 175.02 174.24 13pk s ALA 314 N 0.71 3.27 -0.79 3.16 0.00 -1.26 -1.50 121.76 125.35 13pk s ALA 314 Ca -0.12 0.58 0.08 0.00 0.00 0.00 0.00 51.96 52.50 13pk s ALA 314 Cb -0.14 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.60 13pk s ALA 314 CO 0.02 -0.37 0.60 1.28 0.00 0.00 0.00 175.76 177.29 13pk n LEU 315 N 4.18 1.19 -3.51 0.00 4.77 0.15 -4.83 117.00 118.96 13pk n LEU 315 Ca 0.07 -0.81 -0.08 0.00 -0.03 0.00 0.00 56.01 55.16 13pk n LEU 315 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 13pk n LEU 315 CO 0.53 0.24 0.70 -0.62 -1.33 0.00 0.00 177.39 176.91 13pk s ASP 316 N -1.07 -0.36 0.43 -1.43 2.15 -1.11 -0.75 116.67 114.53 13pk s ASP 316 Ca 0.07 0.01 -0.22 0.00 0.43 0.00 0.00 52.55 52.84 13pk s ASP 316 Cb 0.06 0.38 -0.09 0.00 -0.30 0.00 0.00 42.92 42.97 13pk s ASP 316 CO 0.18 -0.60 1.03 0.27 -0.17 0.00 0.00 175.17 175.88 13pk s ILE 317 N -3.03 3.85 0.84 4.11 -4.36 -1.24 -0.69 121.20 120.67 13pk s ILE 317 Ca 0.05 1.30 -0.12 0.00 -0.26 0.00 0.00 60.65 61.62 13pk s ILE 317 Cb -0.01 -3.61 0.12 0.00 1.25 0.00 0.00 42.46 40.21 13pk s ILE 317 CO -0.09 -0.11 1.19 -0.83 0.24 0.00 0.00 174.94 175.34 13pk s GLY 318 N -1.79 1.69 0.23 6.27 0.00 -0.66 -4.45 107.32 108.61 13pk s GLY 318 Ca 0.61 -0.97 -0.06 0.00 0.00 0.00 0.00 44.72 44.30 13pk s GLY 318 CO 0.23 -0.39 1.77 -0.56 0.00 0.00 0.00 173.10 174.15 13pk h PRO 319 N -1.14 0.58 -0.24 2.90 0.13 -1.91 0.13 132.00 132.46 13pk h PRO 319 Ca -0.44 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 13pk h PRO 319 Cb 1.29 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 13pk h PRO 319 CO 0.53 0.39 -0.19 0.87 -0.23 0.00 0.00 178.00 179.37 13pk h LYS 320 N 0.60 0.43 -0.23 0.86 1.57 -1.94 -1.16 116.57 116.70 13pk h LYS 320 Ca 0.37 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 13pk h LYS 320 Cb 0.43 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 13pk h LYS 320 CO -0.29 0.61 -0.37 1.15 -0.57 0.00 0.00 179.45 179.98 13pk h THR 321 N 0.39 1.32 -0.97 -0.16 2.02 -1.55 -2.08 112.91 111.88 13pk h THR 321 Ca 0.07 -1.57 0.04 0.00 0.77 0.00 0.00 66.41 65.71 13pk h THR 321 Cb 0.56 1.76 -0.06 0.00 -1.74 0.00 0.00 68.15 68.67 13pk h THR 321 CO 0.04 0.49 0.64 0.40 0.37 0.00 0.00 175.52 177.46 13pk h ILE 322 N 0.37 1.17 0.03 3.11 2.04 -0.62 0.23 117.51 123.84 13pk h ILE 322 Ca 0.02 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 13pk h ILE 322 Cb 0.96 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 13pk h ILE 322 CO 0.08 0.22 -0.01 -0.33 0.00 0.00 0.00 178.15 178.11 13pk h GLU 323 N 1.23 -0.04 -0.02 2.37 5.08 -1.06 0.88 114.58 123.02 13pk h GLU 323 Ca 0.39 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.75 13pk h GLU 323 Cb 0.01 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 13pk h GLU 323 CO -0.12 0.10 0.01 -0.22 -1.00 0.00 0.00 179.01 177.77 13pk h LYS 324 N -0.16 0.02 -0.44 2.33 1.63 -0.90 0.90 116.57 119.94 13pk h LYS 324 Ca -0.00 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 13pk h LYS 324 Cb 0.15 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 13pk h LYS 324 CO 0.01 0.07 0.27 1.88 -3.45 0.00 0.00 179.45 178.22 13pk h TYR 325 N -0.03 0.51 -0.53 1.91 -1.99 -0.89 0.27 116.97 116.23 13pk h TYR 325 Ca 0.01 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 13pk h TYR 325 Cb 0.05 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 13pk h TYR 325 CO -0.06 0.30 0.23 0.28 -0.00 0.00 0.00 178.16 178.91 13pk h VAL 326 N 0.55 1.21 -0.00 -2.88 2.07 -0.70 -0.03 116.25 116.47 13pk h VAL 326 Ca 0.17 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.08 13pk h VAL 326 Cb -0.01 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 13pk h VAL 326 CO -0.07 0.24 0.00 -0.61 0.02 0.00 0.00 177.57 177.15 13pk h GLN 327 N 0.71 0.00 -0.21 1.57 4.15 -0.05 -1.38 115.11 119.90 13pk h GLN 327 Ca 0.18 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 13pk h GLN 327 Cb 0.16 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 13pk h GLN 327 CO -0.02 0.01 -0.19 0.00 -1.93 0.00 0.00 178.83 176.70 13pk h THR 328 N -0.01 1.23 -0.22 2.39 1.03 -0.32 -1.43 112.91 115.59 13pk h THR 328 Ca 0.00 -1.08 -0.02 0.00 -0.01 0.00 0.00 66.41 65.31 13pk h THR 328 Cb 0.01 1.29 -0.01 0.00 -1.07 0.00 0.00 68.15 68.37 13pk h THR 328 CO -0.00 0.34 0.06 0.40 -0.01 0.00 0.00 175.52 176.31 13pk h ILE 329 N 0.34 1.11 0.00 0.00 2.04 -0.44 0.12 117.51 120.68 13pk h ILE 329 Ca 0.06 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 13pk h ILE 329 Cb 0.54 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 13pk h ILE 329 CO 0.04 0.13 -0.11 1.23 0.00 0.00 0.00 178.15 179.44 13pk h GLY 330 N 0.50 0.00 0.44 5.37 0.00 -0.17 -2.55 103.07 106.66 13pk h GLY 330 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 13pk h GLY 330 CO -0.00 0.00 -0.02 0.28 0.00 0.00 0.00 176.54 176.80 13pk n LYS 331 N -3.29 1.19 -3.68 4.80 5.02 0.41 -4.92 118.16 117.69 13pk n LYS 331 Ca -0.00 -0.40 -0.21 0.00 -2.02 0.00 0.00 58.31 55.68 13pk n LYS 331 Cb 0.34 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 13pk n LYS 331 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 13pk n LYS 333 N -1.47 4.96 -3.89 0.00 5.02 -0.54 -4.86 118.16 117.39 13pk n LYS 333 Ca 0.02 -0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 13pk n LYS 333 Cb 0.61 -0.69 -0.14 0.00 -0.02 0.00 0.00 35.03 34.79 13pk n LYS 333 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 13pk s SER 334 N -1.42 0.11 -0.04 4.39 0.01 -0.25 -1.33 113.70 115.16 13pk s SER 334 Ca 0.00 -0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.24 13pk s SER 334 Cb 0.01 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.25 13pk s SER 334 CO 0.08 -0.02 0.08 0.00 0.41 0.00 0.00 173.24 173.79 13pk s ALA 335 N 0.20 0.02 -0.18 1.44 0.00 0.12 -1.37 121.76 121.99 13pk s ALA 335 Ca -0.02 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.34 13pk s ALA 335 Cb -0.03 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.63 13pk s ALA 335 CO -0.01 -0.30 -0.17 0.42 0.00 0.00 0.00 175.76 175.70 13pk s ILE 336 N 1.60 1.95 -0.08 0.00 1.01 -0.29 -0.33 121.20 125.05 13pk s ILE 336 Ca -0.03 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.71 13pk s ILE 336 Cb -0.12 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 13pk s ILE 336 CO -0.04 0.43 -0.24 0.86 0.00 0.00 0.00 174.94 175.95 13pk s TRP 337 N 1.32 2.51 -0.12 3.97 -0.00 -0.28 0.17 118.94 126.51 13pk s TRP 337 Ca 0.03 -0.90 -0.04 0.00 -0.00 0.00 0.00 56.10 55.18 13pk s TRP 337 Cb -0.14 -1.66 0.06 0.00 -0.00 0.00 0.00 33.47 31.73 13pk s TRP 337 CO -0.11 -0.33 0.22 1.21 -0.00 0.00 0.00 176.95 177.94 13pk s ASN 338 N 0.12 0.61 0.00 5.86 3.84 -0.08 -2.05 114.94 123.25 13pk s ASN 338 Ca -0.12 0.41 0.00 0.00 0.21 0.00 0.00 52.86 53.35 13pk s ASN 338 Cb -0.16 0.51 0.00 0.00 -0.55 0.00 0.00 41.25 41.04 13pk s ASN 338 CO 0.07 -0.25 0.00 0.61 -2.79 0.00 0.00 177.10 174.74 13pk n GLY 339 N 5.34 1.87 3.70 1.21 0.00 -1.26 -0.32 105.19 115.73 13pk n GLY 339 Ca -0.05 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 13pk n GLY 339 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 13pk n PRO 340 N 2.42 1.07 0.04 1.61 -0.02 -1.26 -3.59 135.00 135.28 13pk n PRO 340 Ca 0.00 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.03 13pk n PRO 340 Cb 0.00 -2.44 0.51 0.00 -0.02 0.00 0.00 33.50 31.55 13pk n PRO 340 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 13pk n MET 341 N -1.64 0.09 -1.00 -0.52 2.81 -1.26 -0.52 117.12 115.07 13pk n MET 341 Ca 0.15 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 13pk n MET 341 Cb 0.48 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 13pk n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 13pk n GLY 342 N 1.11 1.81 2.87 3.03 0.00 -1.26 -1.30 105.19 111.46 13pk n GLY 342 Ca 0.06 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 13pk n GLY 342 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 13pk n VAL 343 N 0.00 3.73 0.31 1.61 0.31 0.07 -4.75 118.33 119.60 13pk n VAL 343 Ca 0.00 -3.49 0.16 0.00 -0.01 0.00 0.00 64.34 61.00 13pk n VAL 343 Cb 0.00 -2.52 0.83 0.00 -0.91 0.00 0.00 33.84 31.24 13pk n VAL 343 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 13pk h PHE 344 N 6.14 0.00 0.00 3.52 -0.00 -1.86 -0.39 116.94 124.35 13pk h PHE 344 Ca 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 58.48 13pk h PHE 344 Cb 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.62 13pk h PHE 344 CO 1.40 0.00 -0.02 0.93 -0.00 0.00 0.00 178.31 180.62 13pk h GLU 345 N 0.00 0.00 -5.21 6.09 3.07 -1.87 -3.40 114.58 113.26 13pk h GLU 345 Ca 0.00 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.22 13pk h GLU 345 Cb 0.48 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.16 13pk h GLU 345 CO 0.00 0.02 -0.68 -1.64 -1.40 0.00 0.00 179.01 175.32 13pk s MET 346 N -4.17 3.61 0.23 2.33 -1.94 -0.16 -5.02 119.30 114.18 13pk s MET 346 Ca -0.04 -0.54 -0.12 0.00 -1.71 0.00 0.00 55.69 53.28 13pk s MET 346 Cb 0.13 -2.97 0.29 0.00 2.01 0.00 0.00 34.83 34.29 13pk s MET 346 CO 0.49 0.12 1.61 0.28 -0.01 0.00 0.00 175.02 177.51 13pk h VAL 347 N 5.30 0.28 0.00 -6.03 2.07 -1.84 -0.28 116.25 115.75 13pk h VAL 347 Ca -0.33 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 13pk h VAL 347 Cb 1.18 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 13pk h VAL 347 CO 0.61 0.00 -0.02 1.55 0.02 0.00 0.00 177.57 179.74 13pk h PRO 348 N 0.00 0.00 -0.32 1.57 0.13 -1.92 -2.37 132.00 129.09 13pk h PRO 348 Ca 0.35 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.39 13pk h PRO 348 Cb 0.53 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.61 13pk h PRO 348 CO -0.74 0.02 0.01 0.66 -0.23 0.00 0.00 178.00 177.72 13pk n TYR 349 N -3.24 1.09 0.34 1.56 4.01 -0.15 -4.57 117.16 116.21 13pk n TYR 349 Ca -0.02 -1.15 0.08 0.00 -0.16 0.00 0.00 57.90 56.65 13pk n TYR 349 Cb 0.15 -0.40 -0.11 0.00 -0.31 0.00 0.00 39.34 38.67 13pk n TYR 349 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 13pk n SER 350 N -0.73 0.99 -0.22 7.72 3.41 -0.89 -3.15 113.62 120.75 13pk n SER 350 Ca 0.27 -0.39 0.02 0.00 -0.26 0.00 0.00 58.87 58.50 13pk n SER 350 Cb 0.98 1.42 0.11 0.00 -0.26 0.00 0.00 64.21 66.46 13pk n SER 350 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 13pk h LYS 351 N 0.00 0.09 -0.25 4.33 1.57 -1.81 -2.05 116.57 118.46 13pk h LYS 351 Ca 0.00 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 13pk h LYS 351 Cb 0.59 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 13pk h LYS 351 CO 0.00 0.06 0.14 0.78 -0.57 0.00 0.00 179.45 179.86 13pk h GLY 352 N 0.10 0.34 0.99 3.86 0.00 -1.82 0.30 103.07 106.83 13pk h GLY 352 Ca 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.56 13pk h GLY 352 CO -0.58 0.09 0.01 -0.84 0.00 0.00 0.00 176.54 175.22 13pk h THR 353 N 0.29 1.01 0.00 4.70 2.02 -1.76 -1.86 112.91 117.31 13pk h THR 353 Ca 0.10 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 13pk h THR 353 Cb 0.00 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 13pk h THR 353 CO -0.05 0.01 -0.34 -0.26 0.37 0.00 0.00 175.52 175.25 13pk h PHE 354 N 0.01 0.00 -0.23 3.16 0.04 -1.28 -1.51 116.94 117.12 13pk h PHE 354 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 13pk h PHE 354 Cb 0.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 13pk h PHE 354 CO -0.08 0.34 0.00 0.00 -0.60 0.00 0.00 178.31 177.98 13pk h ALA 355 N 1.66 0.31 -0.57 2.45 0.00 -0.51 0.12 119.26 122.74 13pk h ALA 355 Ca -0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 13pk h ALA 355 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 13pk h ALA 355 CO 0.04 0.04 0.18 0.82 0.00 0.00 0.00 179.25 180.32 13pk h ILE 356 N 0.18 1.24 -0.43 0.00 1.08 -1.08 -1.08 117.51 117.42 13pk h ILE 356 Ca 0.07 -0.81 -0.00 0.00 -0.39 0.00 0.00 64.86 63.72 13pk h ILE 356 Cb 0.40 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 13pk h ILE 356 CO 0.01 0.30 0.25 0.00 -0.69 0.00 0.00 178.15 178.03 13pk h ALA 357 N 1.04 0.54 -0.35 1.87 0.00 -1.07 -1.22 119.26 120.08 13pk h ALA 357 Ca 0.18 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.04 13pk h ALA 357 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 13pk h ALA 357 CO -0.01 0.04 0.21 -0.22 0.00 0.00 0.00 179.25 179.28 13pk h LYS 358 N 0.56 0.42 -0.57 0.00 3.64 -0.52 -1.23 116.57 118.88 13pk h LYS 358 Ca 0.15 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 13pk h LYS 358 Cb 0.01 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 13pk h LYS 358 CO -0.03 0.28 0.20 0.00 -2.27 0.00 0.00 179.45 177.63 13pk h ALA 359 N 1.15 0.75 -0.55 5.00 0.00 -1.02 0.12 119.26 124.70 13pk h ALA 359 Ca 0.13 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 13pk h ALA 359 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 13pk h ALA 359 CO -0.05 0.40 -0.02 0.52 0.00 0.00 0.00 179.25 180.09 13pk h MET 360 N 0.80 0.99 0.14 0.00 2.86 -1.01 0.16 114.93 118.87 13pk h MET 360 Ca 0.19 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 13pk h MET 360 Cb 0.25 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.83 13pk h MET 360 CO -0.01 1.00 -0.07 0.78 1.06 0.00 0.00 176.91 179.67 13pk h GLY 361 N 0.87 -0.20 0.42 8.32 0.00 -1.06 -2.28 103.07 109.14 13pk h GLY 361 Ca 0.15 0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.66 13pk h GLY 361 CO 0.03 -0.07 0.32 -0.09 0.00 0.00 0.00 176.54 176.73 13pk h ARG 362 N -0.61 0.53 -0.11 4.80 2.43 -0.73 0.60 114.38 121.29 13pk h ARG 362 Ca -0.02 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 13pk h ARG 362 Cb 0.46 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 13pk h ARG 362 CO 0.03 0.35 0.00 0.78 -1.51 0.00 0.00 179.97 179.62 13pk h GLY 363 N 0.54 0.11 0.82 2.80 0.00 -0.62 0.69 103.07 107.41 13pk h GLY 363 Ca 0.35 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 13pk h GLY 363 CO -0.29 -0.02 -0.09 -0.84 0.00 0.00 0.00 176.54 175.30 13pk h THR 364 N 0.04 0.89 0.17 4.70 2.02 -0.86 0.73 112.91 120.60 13pk h THR 364 Ca 0.05 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 13pk h THR 364 Cb 0.06 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 13pk h THR 364 CO -0.09 0.09 -0.27 -0.74 0.37 0.00 0.00 175.52 174.88 13pk h HIS 365 N -0.44 -0.76 -0.17 3.16 6.17 -0.64 0.01 115.15 122.49 13pk h HIS 365 Ca -0.03 0.01 -0.09 0.00 0.71 0.00 0.00 60.37 60.98 13pk h HIS 365 Cb 0.34 0.31 -0.00 0.00 2.52 0.00 0.00 27.41 30.57 13pk h HIS 365 CO -0.01 -0.33 -0.24 0.93 0.71 0.00 0.00 177.93 178.99 13pk h GLU 366 N -0.46 0.47 0.00 5.26 4.39 0.33 -3.39 114.58 121.18 13pk h GLU 366 Ca -0.02 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 13pk h GLU 366 Cb 0.42 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 13pk h GLU 366 CO -0.09 0.86 -0.42 0.72 -1.16 0.00 0.00 179.01 178.93 13pk n HIS 367 N -4.42 0.00 -0.93 4.33 8.25 0.25 -5.00 115.22 117.69 13pk n HIS 367 Ca -0.06 -1.36 0.00 0.00 -0.26 0.00 0.00 57.72 56.04 13pk n HIS 367 Cb 0.43 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.32 13pk n HIS 367 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 13pk n GLY 368 N -1.13 0.03 3.61 -1.41 0.00 -0.01 -4.83 105.19 101.45 13pk n GLY 368 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 13pk n GLY 368 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 13pk n LEU 369 N 0.00 2.17 -4.46 0.99 7.94 -1.02 -4.85 117.00 117.77 13pk n LEU 369 Ca 0.00 1.16 -0.43 0.00 -1.11 0.00 0.00 56.01 55.63 13pk n LEU 369 Cb 0.40 -1.31 -0.04 0.00 0.53 0.00 0.00 43.42 43.00 13pk n LEU 369 CO 0.00 -1.06 0.76 -0.32 -1.11 0.00 0.00 177.39 175.66 13pk s MET 370 N -0.86 3.14 -0.15 1.96 -2.45 -0.44 -4.06 119.30 116.44 13pk s MET 370 Ca 0.66 -0.74 -0.11 0.00 -1.25 0.00 0.00 55.69 54.25 13pk s MET 370 Cb -0.73 -4.20 -0.05 0.00 1.25 0.00 0.00 34.83 31.10 13pk s MET 370 CO 0.55 -1.78 0.21 -1.54 1.05 0.00 0.00 175.02 173.51 13pk s SER 371 N 3.57 6.39 -0.03 1.11 1.04 -1.26 -0.70 113.70 123.82 13pk s SER 371 Ca 0.23 0.45 0.01 0.00 0.48 0.00 0.00 55.95 57.13 13pk s SER 371 Cb -0.16 -2.13 0.02 0.00 0.10 0.00 0.00 66.02 63.84 13pk s SER 371 CO 0.11 0.22 -0.04 -0.63 0.98 0.00 0.00 173.24 173.89 13pk s ILE 372 N -0.09 0.44 0.11 -1.02 1.01 0.54 -1.47 121.20 120.71 13pk s ILE 372 Ca 0.14 -0.11 0.07 0.00 0.00 0.00 0.00 60.65 60.74 13pk s ILE 372 Cb -0.12 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 13pk s ILE 372 CO 0.03 0.18 -0.16 -0.63 0.00 0.00 0.00 174.94 174.36 13pk s ILE 373 N 0.63 1.43 0.23 2.92 1.01 -0.85 -1.13 121.20 125.43 13pk s ILE 373 Ca -0.08 -1.59 -0.18 0.00 0.00 0.00 0.00 60.65 58.81 13pk s ILE 373 Cb -0.11 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.93 13pk s ILE 373 CO -0.00 -0.26 0.57 -0.83 0.00 0.00 0.00 174.94 174.42 13pk s GLY 374 N -2.15 -0.00 0.00 6.18 0.00 -0.87 0.02 107.32 110.50 13pk s GLY 374 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.45 13pk s GLY 374 CO 0.04 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.49 13pk n GLY 375 N -0.38 1.06 0.31 0.20 0.00 0.32 -4.30 105.19 102.39 13pk n GLY 375 Ca -0.07 -1.24 0.01 0.00 0.00 0.00 0.00 46.02 44.71 13pk n GLY 375 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 13pk h GLY 376 N 0.00 0.43 2.00 -0.02 0.00 -1.87 0.96 103.07 104.56 13pk h GLY 376 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.54 13pk h GLY 376 CO 0.00 -0.28 -0.43 -0.55 0.00 0.00 0.00 176.54 175.28 13pk h ASP 377 N -0.03 0.00 -0.18 0.19 3.32 -1.96 -2.33 116.42 115.43 13pk h ASP 377 Ca 0.35 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.28 13pk h ASP 377 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 13pk h ASP 377 CO -0.80 0.43 -0.35 0.28 -1.72 0.00 0.00 179.24 177.09 13pk h SER 378 N 0.00 0.62 0.40 6.45 0.02 -1.16 -1.59 113.55 118.29 13pk h SER 378 Ca -0.00 -0.55 -0.08 0.00 -0.84 0.00 0.00 61.79 60.32 13pk h SER 378 Cb 1.08 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 13pk h SER 378 CO 0.06 1.05 -0.40 0.00 -1.14 0.00 0.00 176.83 176.40 13pk h ALA 379 N 0.59 1.34 -0.33 3.77 0.00 -0.93 -1.49 119.26 122.21 13pk h ALA 379 Ca 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 13pk h ALA 379 Cb 0.94 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 13pk h ALA 379 CO 0.08 0.50 0.17 0.77 0.00 0.00 0.00 179.25 180.77 13pk h SER 380 N 0.00 0.42 -0.60 0.00 0.02 -1.14 -0.95 113.55 111.30 13pk h SER 380 Ca -0.00 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 13pk h SER 380 Cb 0.70 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 13pk h SER 380 CO 0.05 0.40 0.26 0.00 -1.14 0.00 0.00 176.83 176.40 13pk h ALA 381 N 1.03 0.77 -0.76 3.77 0.00 -0.87 -0.52 119.26 122.69 13pk h ALA 381 Ca 0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 13pk h ALA 381 Cb 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 13pk h ALA 381 CO -0.02 0.36 0.24 0.00 0.00 0.00 0.00 179.25 179.84 13pk h ALA 382 N 1.10 0.99 -0.24 0.00 0.00 -1.15 -2.07 119.26 117.90 13pk h ALA 382 Ca 0.20 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 13pk h ALA 382 Cb 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.66 13pk h ALA 382 CO -0.02 0.67 -0.54 0.93 0.00 0.00 0.00 179.25 180.30 13pk h GLU 383 N 1.13 0.79 -0.31 0.00 5.08 -0.95 0.19 114.58 120.51 13pk h GLU 383 Ca 0.24 -0.53 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 13pk h GLU 383 Cb 0.31 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 13pk h GLU 383 CO -0.01 1.15 0.21 1.25 -1.00 0.00 0.00 179.01 180.61 13pk h LEU 384 N 0.54 0.28 -2.51 1.33 5.85 -0.92 -1.84 115.31 118.03 13pk h LEU 384 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 13pk h LEU 384 Cb 1.15 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.11 13pk h LEU 384 CO 0.12 0.19 0.00 -1.54 -0.34 0.00 0.00 178.44 176.87 13pk n SER 385 N -4.49 3.39 -0.97 1.25 3.41 -0.79 -4.97 113.62 110.44 13pk n SER 385 Ca 0.02 -1.95 -0.13 0.00 -0.26 0.00 0.00 58.87 56.55 13pk n SER 385 Cb 0.14 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 63.74 13pk n SER 385 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 13pk n GLY 386 N 1.27 1.35 0.06 5.00 0.00 -0.57 -4.87 105.19 107.42 13pk n GLY 386 Ca 0.18 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.92 13pk n GLY 386 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 13pk n GLU 387 N -2.48 0.64 -0.27 1.61 -0.58 0.57 -4.36 120.64 115.78 13pk n GLU 387 Ca -0.13 -0.03 0.06 0.00 -0.42 0.00 0.00 57.16 56.65 13pk n GLU 387 Cb 0.44 -1.66 0.20 0.00 -0.57 0.00 0.00 31.44 29.84 13pk n GLU 387 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 13pk h ALA 388 N 1.89 1.11 0.00 0.62 0.00 -1.66 0.31 119.26 121.53 13pk h ALA 388 Ca -0.05 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 13pk h ALA 388 Cb 1.12 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 13pk h ALA 388 CO 0.01 -0.23 -0.13 1.57 0.00 0.00 0.00 179.25 180.47 13pk h LYS 389 N 0.43 0.00 0.00 0.00 2.10 -1.86 -2.22 116.57 115.02 13pk h LYS 389 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 13pk h LYS 389 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 13pk h LYS 389 CO -0.43 0.13 -0.30 0.00 -2.00 0.00 0.00 179.45 176.85 13pk h ARG 390 N 0.00 0.00 -7.05 0.07 3.08 -0.63 -3.46 114.38 106.39 13pk h ARG 390 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.55 13pk h ARG 390 Cb 0.36 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.46 13pk h ARG 390 CO 0.02 0.00 0.43 -1.64 -1.07 0.00 0.00 179.97 177.71 13pk s MET 391 N -3.19 3.64 0.16 0.04 -1.94 -0.81 -4.59 119.30 112.61 13pk s MET 391 Ca 0.07 1.59 -0.16 0.00 -1.71 0.00 0.00 55.69 55.48 13pk s MET 391 Cb 0.10 -2.18 0.06 0.00 2.01 0.00 0.00 34.83 34.81 13pk s MET 391 CO 0.68 -0.61 1.78 0.77 -0.01 0.00 0.00 175.02 177.63 13pk h SER 392 N 1.63 0.30 -2.39 3.03 0.02 -1.56 -3.43 113.55 111.16 13pk h SER 392 Ca -0.50 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.52 13pk h SER 392 Cb 1.24 -0.04 -0.21 0.00 0.14 0.00 0.00 62.40 63.54 13pk h SER 392 CO 0.59 0.22 -0.10 -2.28 -1.14 0.00 0.00 176.83 174.11 13pk s HIS 393 N -6.15 -1.21 -0.31 3.45 2.46 -0.68 -5.00 115.29 107.86 13pk s HIS 393 Ca -0.13 2.20 -0.11 0.00 0.47 0.00 0.00 55.06 57.49 13pk s HIS 393 Cb 0.12 0.71 -0.02 0.00 -0.13 0.00 0.00 32.58 33.26 13pk s HIS 393 CO 0.72 -0.60 0.18 0.54 -2.47 0.00 0.00 174.74 173.10 13pk s VAL 394 N 2.44 4.90 0.41 0.89 0.11 -1.26 -2.01 120.40 125.88 13pk s VAL 394 Ca -0.07 -0.22 -0.04 0.00 -2.93 0.00 0.00 61.98 58.72 13pk s VAL 394 Cb -0.10 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 13pk s VAL 394 CO -0.19 0.11 0.68 -0.55 -3.33 0.00 0.00 175.10 171.82 13pk s SER 395 N 1.67 6.32 0.00 3.54 0.15 0.10 -4.96 113.70 120.52 13pk s SER 395 Ca 0.06 0.76 0.23 0.00 0.70 0.00 0.00 55.95 57.70 13pk s SER 395 Cb -0.17 -2.17 0.89 0.00 -1.71 0.00 0.00 66.02 62.86 13pk s SER 395 CO 0.08 -0.42 1.63 0.35 1.20 0.00 0.00 173.24 176.08 13pk n THR 396 N -1.86 0.13 -3.71 6.45 -2.24 -1.26 -4.11 114.28 107.68 13pk n THR 396 Ca -0.01 -0.29 -0.37 0.00 -2.27 0.00 0.00 64.05 61.11 13pk n THR 396 Cb 0.55 0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 69.06 13pk n THR 396 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 13pk s GLY 397 N -1.70 2.21 0.00 3.38 0.00 -1.26 -4.66 107.32 105.29 13pk s GLY 397 Ca 0.34 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.53 13pk s GLY 397 CO 0.28 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.96 13pk n GLY 398 N 2.49 1.34 0.16 0.20 0.00 -1.26 -0.52 105.19 107.59 13pk n GLY 398 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.91 13pk n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 13pk n GLY 399 N 3.21 -0.62 0.02 -0.02 0.00 -1.26 -3.32 105.19 103.20 13pk n GLY 399 Ca 0.00 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.01 13pk n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 13pk n ALA 400 N -0.36 2.55 0.02 4.61 0.00 -1.26 -0.73 120.51 125.34 13pk n ALA 400 Ca 0.08 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 13pk n ALA 400 Cb 0.10 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.01 13pk n ALA 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 13pk h SER 401 N 0.00 0.37 0.14 0.00 0.02 -1.79 -3.27 113.55 109.03 13pk h SER 401 Ca 0.00 -0.72 -0.01 0.00 -0.84 0.00 0.00 61.79 60.22 13pk h SER 401 Cb 0.55 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.97 13pk h SER 401 CO 0.00 1.63 -0.07 -0.07 -1.14 0.00 0.00 176.83 177.18 13pk h LEU 402 N 0.07 -0.16 -1.68 5.07 3.38 -1.68 -3.20 115.31 117.10 13pk h LEU 402 Ca -0.36 0.01 0.15 0.00 0.09 0.00 0.00 57.88 57.77 13pk h LEU 402 Cb 2.04 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.79 13pk h LEU 402 CO 0.11 -0.02 0.48 -0.08 0.09 0.00 0.00 178.44 179.03 13pk h GLU 403 N -0.39 0.31 -0.85 1.13 4.81 -1.17 -0.02 114.58 118.40 13pk h GLU 403 Ca -0.02 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 13pk h GLU 403 Cb 0.14 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 13pk h GLU 403 CO 0.03 0.21 0.55 1.25 -0.73 0.00 0.00 179.01 180.32 13pk h LEU 404 N 0.32 0.76 -1.19 1.64 5.85 -1.65 -2.59 115.31 118.46 13pk h LEU 404 Ca 0.35 0.02 0.31 0.00 0.84 0.00 0.00 57.88 59.39 13pk h LEU 404 Cb 0.90 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.67 13pk h LEU 404 CO -0.09 0.46 0.66 -0.07 -0.34 0.00 0.00 178.44 179.05 13pk h LEU 405 N 0.85 0.48 -1.90 2.25 4.07 -0.98 -1.27 115.31 118.81 13pk h LEU 405 Ca 0.39 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.49 13pk h LEU 405 Cb 0.38 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.20 13pk h LEU 405 CO -0.16 -0.02 0.00 1.21 -1.08 0.00 0.00 178.44 178.39 13pk n GLU 406 N -4.82 0.48 -0.33 1.13 2.13 -0.98 -4.72 120.64 113.53 13pk n GLU 406 Ca 0.30 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.11 13pk n GLU 406 Cb 0.98 -1.26 -0.00 0.00 0.27 0.00 0.00 31.44 31.43 13pk n GLU 406 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 13pk n GLY 407 N 0.71 0.06 3.70 8.31 0.00 -0.48 -4.82 105.19 112.67 13pk n GLY 407 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 13pk n GLY 407 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 13pk s LYS 408 N -0.68 4.22 0.10 1.61 0.00 -1.25 -4.92 119.74 118.82 13pk s LYS 408 Ca 0.00 2.25 -0.35 0.00 0.00 0.00 0.00 55.97 57.88 13pk s LYS 408 Cb 0.00 -3.49 -0.14 0.00 0.00 0.00 0.00 37.83 34.20 13pk s LYS 408 CO 0.00 -0.66 1.56 0.25 0.00 0.00 0.00 175.35 176.50 13pk n THR 409 N 4.53 0.08 -2.40 3.79 -2.24 -1.26 -4.88 114.28 111.89 13pk n THR 409 Ca 0.15 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.48 13pk n THR 409 Cb 0.41 -1.39 -0.02 0.00 -2.10 0.00 0.00 70.33 67.22 13pk n THR 409 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 13pk s LEU 410 N 1.26 3.87 0.28 3.22 1.43 -1.26 -4.87 118.68 122.60 13pk s LEU 410 Ca 0.82 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 55.14 13pk s LEU 410 Cb -0.76 -3.54 0.55 0.00 0.03 0.00 0.00 46.19 42.47 13pk s LEU 410 CO 0.42 -1.11 1.83 1.55 0.23 0.00 0.00 176.35 179.28 13pk h PRO 411 N 9.43 0.96 -0.60 1.29 0.13 -1.67 0.19 132.00 141.74 13pk h PRO 411 Ca -0.27 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 13pk h PRO 411 Cb 1.10 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.98 13pk h PRO 411 CO 1.03 0.64 0.28 0.78 -0.23 0.00 0.00 178.00 180.50 13pk h GLY 412 N 0.99 0.91 0.31 1.56 0.00 -0.82 0.14 103.07 106.16 13pk h GLY 412 Ca 0.50 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 13pk h GLY 412 CO -0.27 0.41 -0.01 -2.08 0.00 0.00 0.00 176.54 174.59 13pk h VAL 413 N 0.85 1.42 -0.92 4.60 2.07 -1.31 -3.30 116.25 119.65 13pk h VAL 413 Ca 0.21 -1.55 0.14 0.00 0.82 0.00 0.00 66.70 66.32 13pk h VAL 413 Cb 0.10 2.44 -0.09 0.00 -1.52 0.00 0.00 31.29 32.21 13pk h VAL 413 CO -0.03 0.39 0.53 0.74 0.02 0.00 0.00 177.57 179.22 13pk h THR 414 N -0.73 0.81 0.00 2.57 2.02 -0.38 -0.66 112.91 116.54 13pk h THR 414 Ca -0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 13pk h THR 414 Cb 0.66 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 13pk h THR 414 CO 0.01 0.14 0.00 1.62 0.37 0.00 0.00 175.52 177.66 13pk h VAL 415 N 0.79 0.00 -3.92 3.16 3.04 -0.80 -3.44 116.25 115.08 13pk h VAL 415 Ca 0.49 -0.09 -0.50 0.00 -1.01 0.00 0.00 66.70 65.59 13pk h VAL 415 Cb 0.61 0.98 0.03 0.00 -2.01 0.00 0.00 31.29 30.90 13pk h VAL 415 CO -0.32 0.00 0.47 -0.76 -1.01 0.00 0.00 177.57 175.95 13pk s LEU 416 N -5.77 4.26 -0.32 3.16 1.43 -0.26 -4.77 118.68 116.41 13pk s LEU 416 Ca -0.03 2.25 -0.27 0.00 -1.03 0.00 0.00 54.13 55.04 13pk s LEU 416 Cb 0.11 -3.98 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 13pk s LEU 416 CO 0.39 -0.51 2.21 -1.81 0.23 0.00 0.00 176.35 176.86 13pk s ASP 417 N -1.20 5.21 -1.10 2.29 1.01 0.73 -4.84 116.67 118.78 13pk s ASP 417 Ca 0.55 1.55 -0.22 0.00 0.71 0.00 0.00 52.55 55.14 13pk s ASP 417 Cb -0.29 -2.51 0.05 0.00 1.01 0.00 0.00 42.92 41.18 13pk s ASP 417 CO 0.36 -2.20 1.57 1.51 0.21 0.00 0.00 175.17 176.62 13pk s ASP 418 N 9.12 6.50 0.00 0.27 -4.77 -1.26 0.13 116.67 126.66 13pk s ASP 418 Ca 0.96 -1.72 0.00 0.00 -3.30 0.00 0.00 52.55 48.50 13pk s ASP 418 Cb -0.27 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 38.99 13pk s ASP 418 CO 0.32 -1.51 0.44 0.29 0.70 0.00 0.00 175.17 175.41