#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 4.38 0.58 5.31 -0.14 -1.26 -0.65 119.74 127.95 13pk s LYS 6 Ca 0.00 1.12 -0.20 0.00 -1.36 0.00 0.00 55.97 55.53 13pk s LYS 6 Cb 0.00 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 13pk s LYS 6 CO 0.00 0.23 1.27 0.21 -0.76 0.00 0.00 175.35 176.29 13pk s LYS 7 N -2.37 3.02 0.36 1.68 2.20 0.53 -4.56 119.74 120.61 13pk s LYS 7 Ca 0.52 2.00 0.08 0.00 -0.36 0.00 0.00 55.97 58.20 13pk s LYS 7 Cb -0.15 -2.07 -0.04 0.00 -1.51 0.00 0.00 37.83 34.06 13pk s LYS 7 CO 0.20 -1.21 0.22 0.45 -0.36 0.00 0.00 175.35 174.65 13pk s SER 8 N -1.33 4.81 0.42 1.43 0.15 -1.26 -0.65 113.70 117.26 13pk s SER 8 Ca 0.75 -0.77 0.12 0.00 0.70 0.00 0.00 55.95 56.75 13pk s SER 8 Cb -0.35 -0.70 0.96 0.00 -1.71 0.00 0.00 66.02 64.22 13pk s SER 8 CO 0.39 -0.41 1.98 0.16 1.20 0.00 0.00 173.24 176.56 13pk h ILE 9 N 1.39 0.93 -0.92 6.45 3.07 -1.80 -0.99 117.51 125.64 13pk h ILE 9 Ca -0.43 -0.17 0.23 0.00 1.55 0.00 0.00 64.86 66.04 13pk h ILE 9 Cb 1.25 0.40 -0.06 0.00 -0.27 0.00 0.00 36.82 38.14 13pk h ILE 9 CO 0.62 0.09 0.63 0.78 -1.05 0.00 0.00 178.15 179.22 13pk h ASN 10 N 0.49 0.26 0.17 2.16 -0.26 -1.94 0.14 115.58 116.60 13pk h ASN 10 Ca 0.28 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 13pk h ASN 10 Cb 0.45 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 13pk h ASN 10 CO -0.08 0.09 -0.08 -0.62 -1.06 0.00 0.00 177.43 175.68 13pk n GLU 11 N -4.44 1.07 -3.62 0.81 4.71 -0.38 -4.91 120.64 113.88 13pk n GLU 11 Ca 0.20 -0.47 -0.30 0.00 -0.01 0.00 0.00 57.16 56.57 13pk n GLU 11 Cb 0.82 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.72 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 -2.63 6.33 -0.05 0.00 2.15 -1.26 -4.91 116.67 116.29 13pk s ASP 13 Ca 0.41 -0.06 0.13 0.00 0.43 0.00 0.00 52.55 53.46 13pk s ASP 13 Cb -0.12 -2.28 -0.19 0.00 -0.30 0.00 0.00 42.92 40.03 13pk s ASP 13 CO 0.26 -0.53 0.22 0.18 -0.17 0.00 0.00 175.17 175.13 13pk n LEU 14 N 5.82 0.00 -4.64 -1.34 4.77 -1.26 -4.87 117.00 115.48 13pk n LEU 14 Ca -0.04 0.00 -0.57 0.00 -0.03 0.00 0.00 56.01 55.37 13pk n LEU 14 Cb 0.49 0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 13pk n LEU 14 CO 0.46 0.10 1.03 1.17 -1.33 0.00 0.00 177.39 178.82 13pk n LYS 15 N -2.12 0.86 -1.51 3.23 3.00 -1.12 -0.35 118.16 120.15 13pk n LYS 15 Ca -0.08 0.31 -0.18 0.00 -0.00 0.00 0.00 58.31 58.37 13pk n LYS 15 Cb 0.52 -1.94 -0.08 0.00 0.00 0.00 0.00 35.03 33.54 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 3.12 1.69 3.64 3.14 0.00 0.13 -4.87 105.19 112.05 13pk n GLY 16 Ca 0.23 0.00 -0.31 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 -3.49 2.51 -0.49 1.61 1.02 0.53 -4.96 119.74 116.46 13pk s LYS 17 Ca 0.00 -0.80 -0.23 0.00 0.02 0.00 0.00 55.97 54.96 13pk s LYS 17 Cb 0.00 -2.51 0.04 0.00 -0.52 0.00 0.00 37.83 34.84 13pk s LYS 17 CO 0.00 0.57 0.81 0.15 -0.92 0.00 0.00 175.35 175.96 13pk s LYS 18 N -1.91 3.34 -0.22 1.68 1.02 -1.26 -1.59 119.74 120.80 13pk s LYS 18 Ca 0.21 -0.27 -0.17 0.00 0.02 0.00 0.00 55.97 55.77 13pk s LYS 18 Cb -0.11 -4.00 -0.03 0.00 -0.52 0.00 0.00 37.83 33.16 13pk s LYS 18 CO 0.13 -1.26 0.44 0.08 -0.92 0.00 0.00 175.35 173.83 13pk s VAL 19 N 3.42 5.15 -0.34 3.17 1.01 -0.36 -0.06 120.40 132.38 13pk s VAL 19 Ca 0.28 0.77 -0.24 0.00 0.00 0.00 0.00 61.98 62.80 13pk s VAL 19 Cb -0.13 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.49 13pk s VAL 19 CO 0.20 0.19 0.81 -0.76 0.00 0.00 0.00 175.10 175.54 13pk s LEU 20 N 1.68 4.09 -0.13 3.92 1.02 0.84 -1.99 118.68 128.12 13pk s LEU 20 Ca 0.20 0.55 0.02 0.00 0.02 0.00 0.00 54.13 54.92 13pk s LEU 20 Cb -0.15 -3.09 0.00 0.00 0.02 0.00 0.00 46.19 42.97 13pk s LEU 20 CO 0.09 -0.69 -0.20 -0.63 0.02 0.00 0.00 176.35 174.93 13pk s ILE 21 N 3.09 2.28 -0.38 -0.59 1.01 -0.80 -1.17 121.20 124.65 13pk s ILE 21 Ca 0.33 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 13pk s ILE 21 Cb -0.13 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.43 13pk s ILE 21 CO 0.15 0.54 0.31 -0.60 0.00 0.00 0.00 174.94 175.34 13pk s ARG 22 N 0.62 3.22 0.40 2.79 3.00 -0.93 -1.24 118.95 126.81 13pk s ARG 22 Ca -0.11 -0.80 0.08 0.00 -1.00 0.00 0.00 55.73 53.90 13pk s ARG 22 Cb -0.16 -3.90 -0.04 0.00 0.00 0.00 0.00 34.95 30.84 13pk s ARG 22 CO 0.03 -0.64 0.24 0.14 0.00 0.00 0.00 175.30 175.06 13pk s VAL 23 N 1.79 2.53 -0.59 7.11 -7.23 -0.72 -1.07 120.40 122.22 13pk s VAL 23 Ca 0.07 -1.58 -0.04 0.00 -1.81 0.00 0.00 61.98 58.61 13pk s VAL 23 Cb -0.18 -3.00 0.15 0.00 0.56 0.00 0.00 36.38 33.92 13pk s VAL 23 CO 0.11 -0.03 0.42 -0.62 -0.31 0.00 0.00 175.10 174.67 13pk s ASP 24 N -3.97 5.42 -0.32 4.85 2.15 -1.26 -4.47 116.67 119.07 13pk s ASP 24 Ca 0.43 -2.62 0.09 0.00 0.43 0.00 0.00 52.55 50.88 13pk s ASP 24 Cb 0.01 -1.90 0.62 0.00 -0.30 0.00 0.00 42.92 41.35 13pk s ASP 24 CO 0.24 -0.45 1.66 0.49 -0.17 0.00 0.00 175.17 176.95 13pk n PHE 25 N 3.85 1.92 -1.67 -5.34 3.72 -1.26 -4.48 117.46 114.19 13pk n PHE 25 Ca 0.05 -1.44 -0.42 0.00 -0.05 0.00 0.00 57.45 55.59 13pk n PHE 25 Cb 0.39 -0.63 -0.01 0.00 -0.94 0.00 0.00 39.48 38.30 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 -0.78 3.88 -4.88 4.37 5.15 -1.20 -4.79 115.26 117.02 13pk n ASN 26 Ca 0.40 -2.82 -0.30 0.00 -0.60 0.00 0.00 54.58 51.26 13pk n ASN 26 Cb 1.27 -1.61 -0.02 0.00 -0.53 0.00 0.00 39.78 38.88 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 3.32 4.79 0.10 3.44 -7.23 -1.26 -4.85 120.40 118.71 13pk s VAL 27 Ca 0.48 0.58 -0.31 0.00 -1.81 0.00 0.00 61.98 60.93 13pk s VAL 27 Cb 0.14 -3.77 -0.09 0.00 0.56 0.00 0.00 36.38 33.23 13pk s VAL 27 CO -0.07 -0.64 1.58 -2.84 -0.31 0.00 0.00 175.10 172.83 13pk s PRO 28 N -4.13 4.22 0.02 4.82 0.02 -1.25 -4.88 135.00 133.82 13pk s PRO 28 Ca 0.51 2.30 0.06 0.00 0.02 0.00 0.00 61.00 63.88 13pk s PRO 28 Cb -0.10 -3.41 -0.02 0.00 0.02 0.00 0.00 34.50 30.99 13pk s PRO 28 CO 0.35 -0.65 -0.17 0.14 -0.33 0.00 0.00 177.00 176.34 13pk s VAL 29 N 1.96 1.37 -0.04 3.83 -7.23 -1.26 -0.61 120.40 118.42 13pk s VAL 29 Ca 0.71 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 59.91 13pk s VAL 29 Cb -0.40 -1.18 0.03 0.00 0.56 0.00 0.00 36.38 35.38 13pk s VAL 29 CO 0.31 0.21 0.04 -0.75 -0.31 0.00 0.00 175.10 174.60 13pk s LYS 30 N -0.87 0.01 -1.40 4.82 2.20 0.77 -4.82 119.74 120.44 13pk s LYS 30 Ca 0.05 0.28 -0.08 0.00 -0.36 0.00 0.00 55.97 55.86 13pk s LYS 30 Cb -0.08 -0.46 0.04 0.00 -1.51 0.00 0.00 37.83 35.82 13pk s LYS 30 CO 0.01 -0.27 1.01 0.09 -0.36 0.00 0.00 175.35 175.83 13pk n ASN 31 N 4.88 -4.41 -0.75 1.43 5.03 -1.26 -1.59 115.26 118.59 13pk n ASN 31 Ca -0.12 -0.69 -0.10 0.00 0.87 0.00 0.00 54.58 54.54 13pk n ASN 31 Cb 0.50 -4.44 -0.04 0.00 -1.02 0.00 0.00 39.78 34.78 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 1.07 3.27 7.41 0.00 -1.26 -5.00 105.19 108.97 13pk n GLY 32 Ca -0.06 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.62 1.47 -0.02 1.61 1.02 -0.62 -4.87 119.74 115.70 13pk s LYS 33 Ca 0.00 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 13pk s LYS 33 Cb 0.00 -1.60 -0.04 0.00 -0.52 0.00 0.00 37.83 35.67 13pk s LYS 33 CO 0.00 0.41 1.19 0.42 -0.92 0.00 0.00 175.35 176.45 13pk s ILE 34 N -0.81 4.22 -0.59 2.17 1.01 -1.26 -0.17 121.20 125.76 13pk s ILE 34 Ca 0.08 1.56 0.22 0.00 0.00 0.00 0.00 60.65 62.52 13pk s ILE 34 Cb -0.09 -4.00 -0.23 0.00 0.01 0.00 0.00 42.46 38.14 13pk s ILE 34 CO 0.02 0.03 0.81 0.35 0.00 0.00 0.00 174.94 176.15 13pk n THR 35 N 4.41 0.04 -3.62 2.92 -2.24 0.22 -4.87 114.28 111.15 13pk n THR 35 Ca 0.10 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 13pk n THR 35 Cb 0.46 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 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 -3.72 -0.99 -0.33 3.42 3.84 -1.25 -5.03 114.94 110.89 13pk s ASN 36 Ca 0.02 1.42 0.08 0.00 0.21 0.00 0.00 52.86 54.59 13pk s ASN 36 Cb 0.15 2.12 0.58 0.00 -0.55 0.00 0.00 41.25 43.55 13pk s ASN 36 CO 0.86 -0.23 1.63 -0.90 -2.79 0.00 0.00 177.10 175.68 13pk n ASP 37 N 5.44 3.19 -0.03 -4.21 5.68 -1.26 -3.86 116.55 121.51 13pk n ASP 37 Ca -0.11 -3.62 0.06 0.00 -0.50 0.00 0.00 54.79 50.63 13pk n ASP 37 Cb 0.49 -0.70 0.44 0.00 -1.14 0.00 0.00 41.12 40.21 13pk n ASP 37 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 13pk h TYR 38 N 1.22 0.51 0.00 2.11 3.20 -1.96 0.43 116.97 122.48 13pk h TYR 38 Ca 0.33 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.13 13pk h TYR 38 Cb 2.08 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 40.16 13pk h TYR 38 CO 1.19 0.30 -0.43 0.00 -1.64 0.00 0.00 178.16 177.58 13pk h ARG 39 N 0.53 0.00 0.06 1.82 3.08 -1.86 -1.07 114.38 116.94 13pk h ARG 39 Ca 0.18 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 13pk h ARG 39 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.15 13pk h ARG 39 CO -0.05 0.43 -0.48 0.82 -1.07 0.00 0.00 179.97 179.63 13pk h ILE 40 N 0.00 1.58 -0.94 2.04 2.04 -1.33 -3.14 117.51 117.76 13pk h ILE 40 Ca -0.00 -2.32 0.09 0.00 1.00 0.00 0.00 64.86 63.63 13pk h ILE 40 Cb 0.84 3.09 -0.07 0.00 -0.74 0.00 0.00 36.82 39.94 13pk h ILE 40 CO 0.06 0.64 0.61 0.03 0.00 0.00 0.00 178.15 179.48 13pk h ARG 41 N -0.52 0.96 0.00 2.37 3.08 -0.94 -0.67 114.38 118.67 13pk h ARG 41 Ca -0.08 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 13pk h ARG 41 Cb 1.32 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 13pk h ARG 41 CO 0.09 0.64 -0.03 0.77 -1.07 0.00 0.00 179.97 180.36 13pk h SER 42 N 0.99 0.00 0.36 7.04 0.02 -1.22 -2.17 113.55 118.57 13pk h SER 42 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 13pk h SER 42 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 13pk h SER 42 CO -0.19 0.03 -0.50 0.00 -1.14 0.00 0.00 176.83 175.04 13pk n ALA 43 N -2.12 3.57 -0.17 3.77 0.00 -0.28 -4.39 120.51 120.88 13pk n ALA 43 Ca -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.02 13pk n ALA 43 Cb 0.25 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 18.71 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 0.40 -0.08 -0.44 0.00 3.38 -1.14 -3.00 115.31 114.43 13pk h LEU 44 Ca 0.00 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.16 13pk h LEU 44 Cb 0.51 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 13pk h LEU 44 CO 0.00 -0.02 -0.04 -0.65 0.09 0.00 0.00 178.44 177.83 13pk h PRO 45 N 0.20 0.07 -0.70 1.13 0.11 -1.79 0.17 132.00 131.19 13pk h PRO 45 Ca 0.27 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.37 13pk h PRO 45 Cb 0.40 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 13pk h PRO 45 CO -0.39 0.04 0.41 1.15 -0.21 0.00 0.00 178.00 179.01 13pk h THR 46 N 0.07 1.21 -0.46 -1.15 2.02 -1.84 -0.02 112.91 112.74 13pk h THR 46 Ca 0.22 -0.48 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 13pk h THR 46 Cb 0.32 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 13pk h THR 46 CO -0.40 0.22 -0.13 -0.07 0.37 0.00 0.00 175.52 175.51 13pk h LEU 47 N 0.96 0.86 -0.56 2.58 3.38 -1.27 -2.22 115.31 119.03 13pk h LEU 47 Ca 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 13pk h LEU 47 Cb -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 13pk h LEU 47 CO -0.04 1.00 0.32 0.50 0.09 0.00 0.00 178.44 180.30 13pk h LYS 48 N 0.77 0.77 0.27 1.13 3.64 -0.31 -1.56 116.57 121.29 13pk h LYS 48 Ca 0.12 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 13pk h LYS 48 Cb 0.65 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 13pk h LYS 48 CO 0.05 0.58 -0.39 -0.22 -2.27 0.00 0.00 179.45 177.19 13pk h LYS 49 N 0.75 -0.70 -0.77 1.90 3.11 -0.55 0.19 116.57 120.51 13pk h LYS 49 Ca 0.20 0.05 0.03 0.00 -2.81 0.00 0.00 60.65 58.11 13pk h LYS 49 Cb 0.02 0.16 -0.05 0.00 -1.00 0.00 0.00 32.23 31.36 13pk h LYS 49 CO -0.03 -0.47 0.49 -0.24 -2.81 0.00 0.00 179.45 176.39 13pk h VAL 50 N -0.72 1.13 -0.64 2.00 3.04 -1.31 0.10 116.25 119.84 13pk h VAL 50 Ca -0.01 -0.33 -0.04 0.00 -1.01 0.00 0.00 66.70 65.31 13pk h VAL 50 Cb 0.69 0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 30.02 13pk h VAL 50 CO -0.14 0.18 0.25 -0.07 -1.01 0.00 0.00 177.57 176.78 13pk h LEU 51 N 0.96 0.89 -0.96 3.16 3.38 -0.89 -0.63 115.31 121.23 13pk h LEU 51 Ca 0.30 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 13pk h LEU 51 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 13pk h LEU 51 CO -0.10 0.83 -0.04 0.74 0.09 0.00 0.00 178.44 179.95 13pk h THR 52 N 0.90 1.24 0.00 0.22 2.02 -0.01 -2.54 112.91 114.74 13pk h THR 52 Ca 0.21 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.38 13pk h THR 52 Cb 0.22 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 13pk h THR 52 CO -0.02 0.35 0.00 -0.62 0.37 0.00 0.00 175.52 175.60 13pk n GLU 53 N -4.21 0.75 -0.50 6.66 -0.58 0.29 -4.89 120.64 118.17 13pk n GLU 53 Ca 0.02 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 13pk n GLU 53 Cb 0.31 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 0.98 0.69 0.00 0.62 0.00 -0.87 -2.80 105.19 103.81 13pk n GLY 54 Ca 0.19 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.50 2.35 3.15 -0.02 0.00 -0.30 0.20 105.19 108.08 13pk n GLY 55 Ca 0.00 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.96 1.34 -0.08 1.61 1.04 -0.62 -0.25 113.70 115.78 13pk s SER 56 Ca 0.00 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 55.74 13pk s SER 56 Cb 0.00 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 13pk s SER 56 CO 0.00 -0.22 -0.17 0.00 0.98 0.00 0.00 173.24 173.83 13pk s VAL 58 N -0.17 1.51 0.14 0.00 0.11 -0.84 0.39 120.40 121.54 13pk s VAL 58 Ca -0.01 -1.68 -0.16 0.00 -2.93 0.00 0.00 61.98 57.20 13pk s VAL 58 Cb -0.14 -2.05 -0.07 0.00 -1.53 0.00 0.00 36.38 32.60 13pk s VAL 58 CO 0.03 -0.52 0.57 -0.76 -3.33 0.00 0.00 175.10 171.10 13pk s LEU 59 N 1.32 4.37 -0.02 2.54 1.43 0.72 -1.90 118.68 127.15 13pk s LEU 59 Ca 0.07 1.15 0.04 0.00 -1.03 0.00 0.00 54.13 54.36 13pk s LEU 59 Cb -0.18 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 13pk s LEU 59 CO -0.15 0.12 -0.14 -0.04 0.23 0.00 0.00 176.35 176.38 13pk s MET 60 N -1.82 1.21 0.26 1.70 -1.94 -0.37 -1.32 119.30 117.03 13pk s MET 60 Ca 0.37 -0.49 -0.20 0.00 -1.71 0.00 0.00 55.69 53.66 13pk s MET 60 Cb -0.16 -1.14 0.06 0.00 2.01 0.00 0.00 34.83 35.61 13pk s MET 60 CO 0.19 0.26 0.92 0.45 -0.01 0.00 0.00 175.02 176.84 13pk s SER 61 N -0.18 -0.03 0.17 3.03 0.15 -1.26 -1.75 113.70 113.83 13pk s SER 61 Ca 0.02 -0.82 0.06 0.00 0.70 0.00 0.00 55.95 55.91 13pk s SER 61 Cb -0.07 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 13pk s SER 61 CO 0.00 -1.26 -0.12 -1.38 1.20 0.00 0.00 173.24 171.67 13pk s HIS 62 N -2.42 1.47 -0.04 3.44 -3.43 -1.26 -1.29 115.29 111.75 13pk s HIS 62 Ca 0.18 -0.66 0.01 0.00 -0.80 0.00 0.00 55.06 53.79 13pk s HIS 62 Cb -0.04 -0.72 0.02 0.00 -1.43 0.00 0.00 32.58 30.42 13pk s HIS 62 CO 0.07 0.21 -0.02 -1.17 -2.00 0.00 0.00 174.74 171.83 13pk s LEU 63 N -3.15 1.18 0.00 5.38 2.96 -1.26 -3.22 118.68 120.57 13pk s LEU 63 Ca 0.18 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 13pk s LEU 63 Cb 0.00 -0.35 0.00 0.00 0.50 0.00 0.00 46.19 46.34 13pk s LEU 63 CO 0.03 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 13pk n GLY 64 N 4.20 0.75 2.27 7.98 0.00 -1.26 -4.32 105.19 114.81 13pk n GLY 64 Ca -0.24 -0.73 -0.25 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 0.77 0.61 -1.82 1.61 1.74 -1.26 -5.08 116.66 113.23 13pk n ARG 65 Ca 0.00 -3.26 -0.33 0.00 -0.77 0.00 0.00 57.85 53.48 13pk n ARG 65 Cb 0.00 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.08 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 -0.83 2.87 0.29 5.56 0.04 -1.26 -4.93 135.00 136.74 13pk s PRO 66 Ca 0.34 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.81 13pk s PRO 66 Cb 0.13 -1.96 0.54 0.00 0.04 0.00 0.00 34.50 33.25 13pk s PRO 66 CO -0.14 -1.20 1.86 0.87 0.04 0.00 0.00 177.00 178.44 13pk h LYS 67 N 0.16 0.98 0.00 4.56 6.56 -1.88 -3.47 116.57 123.49 13pk h LYS 67 Ca -0.47 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.06 13pk h LYS 67 Cb 1.25 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 13pk h LYS 67 CO 0.54 0.65 0.00 0.41 -2.06 0.00 0.00 179.45 179.00 13pk n GLY 68 N -1.37 -1.70 3.05 3.86 0.00 -1.24 -4.80 105.19 103.00 13pk n GLY 68 Ca 0.17 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.59 0.08 0.33 -0.61 2.07 -0.22 -4.71 121.20 115.55 13pk s ILE 69 Ca 0.00 -0.69 -0.28 0.00 -1.41 0.00 0.00 60.65 58.27 13pk s ILE 69 Cb 0.00 -0.35 -0.10 0.00 0.13 0.00 0.00 42.46 42.15 13pk s ILE 69 CO 0.00 -0.38 1.18 -2.84 -1.91 0.00 0.00 174.94 170.99 13pk s PRO 70 N -1.26 4.40 0.35 3.50 0.02 -1.26 -0.01 135.00 140.75 13pk s PRO 70 Ca -0.14 1.94 0.12 0.00 0.02 0.00 0.00 61.00 62.95 13pk s PRO 70 Cb -0.08 -3.01 0.93 0.00 0.02 0.00 0.00 34.50 32.36 13pk s PRO 70 CO 0.01 -0.05 1.77 0.52 -0.33 0.00 0.00 177.00 178.92 13pk h MET 71 N 3.36 0.55 -0.27 5.54 2.86 -1.96 -0.11 114.93 124.90 13pk h MET 71 Ca -0.48 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.16 13pk h MET 71 Cb 1.22 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 13pk h MET 71 CO 0.65 0.36 0.09 0.00 1.06 0.00 0.00 176.91 179.07 13pk h ALA 72 N 1.65 0.31 0.00 6.32 0.00 -2.04 -1.77 119.26 123.73 13pk h ALA 72 Ca 0.59 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.53 13pk h ALA 72 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 13pk h ALA 72 CO -0.35 -0.32 0.00 1.04 0.00 0.00 0.00 179.25 179.62 13pk n GLN 73 N -5.04 0.17 0.01 0.00 6.02 -0.07 -3.12 117.38 115.35 13pk n GLN 73 Ca -0.01 0.51 -0.12 0.00 -0.01 0.00 0.00 57.00 57.37 13pk n GLN 73 Cb 0.10 -1.91 -0.08 0.00 1.02 0.00 0.00 30.24 29.37 13pk n GLN 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 13pk h ALA 74 N 2.16 0.01 -0.89 -1.58 0.00 -1.14 -3.20 119.26 114.62 13pk h ALA 74 Ca 0.00 -0.13 0.23 0.00 0.00 0.00 0.00 54.91 55.01 13pk h ALA 74 Cb 0.22 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.84 13pk h ALA 74 CO 0.00 -0.36 0.03 0.78 0.00 0.00 0.00 179.25 179.70 13pk h GLY 75 N -0.23 1.09 0.98 0.00 0.00 -1.63 0.26 103.07 103.53 13pk h GLY 75 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.46 13pk h GLY 75 CO 0.00 -0.41 0.19 0.50 0.00 0.00 0.00 176.54 176.82 13pk h LYS 76 N 0.07 0.37 -0.15 4.80 6.56 -1.76 -1.79 116.57 124.67 13pk h LYS 76 Ca 0.52 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 60.10 13pk h LYS 76 Cb 1.00 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.57 13pk h LYS 76 CO -0.80 0.24 0.06 0.82 -2.06 0.00 0.00 179.45 177.71 13pk h ILE 77 N 0.38 0.98 -0.15 1.86 1.08 -0.66 -2.03 117.51 118.96 13pk h ILE 77 Ca 0.11 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 13pk h ILE 77 Cb -0.03 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 13pk h ILE 77 CO -0.03 0.03 0.11 0.03 -0.69 0.00 0.00 178.15 177.59 13pk h ARG 78 N 0.14 0.03 -0.59 2.37 3.08 -0.51 0.63 114.38 119.53 13pk h ARG 78 Ca 0.06 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 13pk h ARG 78 Cb 0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 13pk h ARG 78 CO -0.05 0.02 -0.02 0.77 -1.07 0.00 0.00 179.97 179.61 13pk h SER 79 N 0.03 1.04 0.55 7.04 0.02 -0.62 -1.85 113.55 119.75 13pk h SER 79 Ca 0.07 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 13pk h SER 79 Cb 0.25 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 13pk h SER 79 CO -0.00 1.10 -0.19 0.74 -1.14 0.00 0.00 176.83 177.34 13pk h THR 80 N 0.95 0.66 0.00 -2.27 2.02 -0.53 -3.46 112.91 110.28 13pk h THR 80 Ca 0.16 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.50 13pk h THR 80 Cb 0.58 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 13pk h THR 80 CO 0.03 0.19 0.00 0.61 0.37 0.00 0.00 175.52 176.73 13pk n GLY 81 N -0.37 0.73 3.85 2.16 0.00 -0.42 -5.09 105.19 106.04 13pk n GLY 81 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 13pk n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 13pk n GLY 82 N -2.04 -0.22 3.38 -0.02 0.00 -0.92 -4.96 105.19 100.41 13pk n GLY 82 Ca 0.00 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 13pk n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 13pk s VAL 83 N -3.40 3.95 -0.17 1.61 1.01 -1.26 -4.18 120.40 117.97 13pk s VAL 83 Ca 0.69 -0.41 -0.37 0.00 0.00 0.00 0.00 61.98 61.89 13pk s VAL 83 Cb -0.03 -2.90 -0.14 0.00 0.00 0.00 0.00 36.38 33.32 13pk s VAL 83 CO 0.47 0.28 1.79 -2.65 0.00 0.00 0.00 175.10 175.00 13pk n PRO 84 N 4.87 1.66 -0.99 2.72 -0.02 -1.26 -1.78 135.00 140.20 13pk n PRO 84 Ca -0.16 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 13pk n PRO 84 Cb 0.50 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 4.23 0.30 3.70 -1.23 0.00 -1.26 -4.70 105.19 106.22 13pk n GLY 85 Ca 0.24 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.55 2.44 -3.54 1.61 7.35 -0.73 -4.58 117.46 117.46 13pk n PHE 86 Ca 0.00 0.36 -0.24 0.00 -0.76 0.00 0.00 57.45 56.81 13pk n PHE 86 Cb 0.21 -2.52 -0.15 0.00 0.35 0.00 0.00 39.48 37.37 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 -0.41 0.15 0.33 -4.13 -0.21 -1.26 -5.05 119.66 109.09 13pk s GLN 87 Ca 0.67 -0.11 0.17 0.00 0.02 0.00 0.00 55.36 56.11 13pk s GLN 87 Cb -0.59 -1.39 1.18 0.00 1.00 0.00 0.00 33.01 33.21 13pk s GLN 87 CO 0.49 -0.78 1.44 0.94 -2.12 0.00 0.00 175.29 175.26 13pk n GLN 88 N 5.29 -0.06 0.06 2.91 -0.06 -1.26 0.10 117.38 124.36 13pk n GLN 88 Ca -0.06 1.27 0.11 0.00 -2.00 0.00 0.00 57.00 56.33 13pk n GLN 88 Cb 0.47 -2.26 0.45 0.00 -4.06 0.00 0.00 30.24 24.84 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 -5.10 0.12 -0.27 3.69 0.00 -1.26 -3.29 118.16 112.05 13pk n LYS 89 Ca 0.33 0.25 0.08 0.00 -0.00 0.00 0.00 58.31 58.98 13pk n LYS 89 Cb 1.13 -1.68 0.19 0.00 -0.00 0.00 0.00 35.03 34.66 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 -1.65 2.73 -1.77 0.58 0.00 0.11 -4.94 120.51 115.58 13pk n ALA 90 Ca 0.04 -2.62 -0.38 0.00 0.00 0.00 0.00 53.44 50.48 13pk n ALA 90 Cb 0.28 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 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 3.55 -2.43 0.00 2.01 -1.19 -4.49 115.64 110.17 13pk s THR 91 Ca 0.36 1.31 0.26 0.00 0.31 0.00 0.00 61.69 63.93 13pk s THR 91 Cb 0.31 -3.74 0.53 0.00 0.01 0.00 0.00 72.50 69.61 13pk s THR 91 CO 0.04 0.13 1.69 0.18 -0.69 0.00 0.00 174.62 175.97 13pk n LEU 92 N 0.32 1.54 -0.04 4.42 4.77 -1.26 -4.38 117.00 122.37 13pk n LEU 92 Ca 0.03 -0.56 -0.11 0.00 -0.03 0.00 0.00 56.01 55.34 13pk n LEU 92 Cb 0.48 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 13pk n LEU 92 CO 0.49 0.28 0.58 0.50 -1.33 0.00 0.00 177.39 177.91 13pk h LYS 93 N 2.30 -0.42 -0.43 3.23 3.64 -1.94 0.17 116.57 123.12 13pk h LYS 93 Ca 0.00 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 13pk h LYS 93 Cb 0.49 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 13pk h LYS 93 CO 0.00 -0.28 0.30 -1.00 -2.27 0.00 0.00 179.45 176.21 13pk h PRO 94 N -0.43 0.06 -0.36 1.90 0.13 -1.90 0.13 132.00 131.54 13pk h PRO 94 Ca 0.10 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 13pk h PRO 94 Cb 0.61 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 13pk h PRO 94 CO -0.45 0.04 -0.31 0.28 -0.23 0.00 0.00 178.00 177.33 13pk h VAL 95 N 0.06 1.28 -0.46 1.56 2.07 -1.04 -0.89 116.25 118.84 13pk h VAL 95 Ca 0.20 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 13pk h VAL 95 Cb 0.73 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 13pk h VAL 95 CO -0.01 0.48 0.25 0.00 0.02 0.00 0.00 177.57 178.30 13pk h ALA 96 N 1.00 0.59 -0.09 1.67 0.00 0.96 0.62 119.26 124.01 13pk h ALA 96 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 13pk h ALA 96 Cb 0.84 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 13pk h ALA 96 CO 0.07 0.12 0.05 -0.22 0.00 0.00 0.00 179.25 179.27 13pk h LYS 97 N 0.61 0.13 0.29 0.00 3.11 -1.09 -0.93 116.57 118.69 13pk h LYS 97 Ca 0.16 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.97 13pk h LYS 97 Cb 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 13pk h LYS 97 CO -0.03 0.17 -0.14 -0.09 -2.81 0.00 0.00 179.45 176.56 13pk h ARG 98 N 0.05 -0.38 -0.85 1.90 9.65 -0.93 -1.85 114.38 121.98 13pk h ARG 98 Ca 0.03 0.03 0.17 0.00 -1.10 0.00 0.00 59.98 59.11 13pk h ARG 98 Cb 0.09 0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 28.65 13pk h ARG 98 CO -0.00 -0.23 0.40 1.25 2.80 0.00 0.00 179.97 184.19 13pk h LEU 99 N -0.42 0.43 -1.33 3.80 5.85 -0.76 0.83 115.31 123.70 13pk h LEU 99 Ca -0.04 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 13pk h LEU 99 Cb 0.32 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 13pk h LEU 99 CO 0.07 0.14 0.34 -1.28 -0.34 0.00 0.00 178.44 177.36 13pk h SER 100 N 0.53 0.70 -0.31 1.25 0.87 -0.56 0.29 113.55 116.32 13pk h SER 100 Ca 0.48 -0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.88 13pk h SER 100 Cb 0.77 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 13pk h SER 100 CO -0.42 0.55 -0.27 -0.33 -0.53 0.00 0.00 176.83 175.83 13pk h GLU 101 N 0.80 0.73 -0.20 2.24 5.08 -0.08 -2.05 114.58 121.10 13pk h GLU 101 Ca 0.21 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 13pk h GLU 101 Cb -0.01 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 13pk h GLU 101 CO -0.04 0.99 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.62 13pk h LEU 102 N 0.49 0.59 -0.97 1.33 3.38 -0.81 -3.13 115.31 116.18 13pk h LEU 102 Ca 0.05 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.51 13pk h LEU 102 Cb 0.84 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.42 13pk h LEU 102 CO 0.07 0.98 0.00 -0.07 0.09 0.00 0.00 178.44 179.51 13pk h LEU 103 N 0.21 0.00 1.90 1.67 4.07 -1.01 -3.47 115.31 118.69 13pk h LEU 103 Ca 0.02 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.66 13pk h LEU 103 Cb 0.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 13pk h LEU 103 CO 0.06 0.00 -0.44 0.18 -1.08 0.00 0.00 178.44 177.17 13pk n LEU 104 N -2.67 -1.93 -3.71 1.67 4.77 -0.79 -4.98 117.00 109.35 13pk n LEU 104 Ca 0.02 -0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 13pk n LEU 104 Cb 0.29 -2.43 -0.05 0.00 -2.33 0.00 0.00 43.42 38.91 13pk n LEU 104 CO 0.25 -0.08 0.17 0.00 -1.33 0.00 0.00 177.39 176.40 13pk s ARG 105 N -4.98 1.18 0.59 3.23 1.70 -1.10 -5.07 118.95 114.51 13pk s ARG 105 Ca 0.06 -0.82 -0.19 0.00 -0.47 0.00 0.00 55.73 54.31 13pk s ARG 105 Cb -0.03 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 13pk s ARG 105 CO 0.08 -0.47 1.21 -2.14 -1.08 0.00 0.00 175.30 172.89 13pk s PRO 106 N -3.85 2.98 -0.16 3.89 0.02 -1.26 -4.45 135.00 132.17 13pk s PRO 106 Ca 0.07 1.83 -0.01 0.00 0.02 0.00 0.00 61.00 62.91 13pk s PRO 106 Cb 0.01 -1.94 0.04 0.00 0.02 0.00 0.00 34.50 32.64 13pk s PRO 106 CO -0.07 -1.20 -0.02 0.08 -0.33 0.00 0.00 177.00 175.46 13pk s VAL 107 N -1.59 0.87 -0.13 3.83 1.01 -1.26 -4.31 120.40 118.83 13pk s VAL 107 Ca 0.77 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 13pk s VAL 107 Cb -0.31 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 13pk s VAL 107 CO 0.33 0.06 0.58 0.28 0.00 0.00 0.00 175.10 176.35 13pk s THR 108 N 1.73 5.10 -0.48 3.92 -1.32 -0.52 -4.88 115.64 119.20 13pk s THR 108 Ca 0.01 1.14 -0.18 0.00 -1.21 0.00 0.00 61.69 61.45 13pk s THR 108 Cb -0.15 -3.91 0.05 0.00 -1.51 0.00 0.00 72.50 66.97 13pk s THR 108 CO -0.07 0.24 0.56 0.12 -2.21 0.00 0.00 174.62 173.25 13pk s PHE 109 N 1.08 3.10 -0.52 9.09 5.36 -1.26 -0.66 117.98 134.17 13pk s PHE 109 Ca 0.30 -0.50 -0.26 0.00 -0.96 0.00 0.00 56.93 55.51 13pk s PHE 109 Cb -0.16 -3.33 0.03 0.00 -0.34 0.00 0.00 43.02 39.22 13pk s PHE 109 CO 0.12 -0.91 1.02 0.00 -1.46 0.00 0.00 175.22 173.99 13pk s ALA 110 N 2.42 3.14 -0.26 11.12 0.00 0.24 -4.90 121.76 133.52 13pk s ALA 110 Ca 0.14 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.23 13pk s ALA 110 Cb -0.19 -3.80 0.34 0.00 0.00 0.00 0.00 23.12 19.47 13pk s ALA 110 CO 0.12 -2.34 1.02 -0.35 0.00 0.00 0.00 175.76 174.21 13pk n PRO 111 N 7.65 0.04 -3.55 0.00 -0.04 -1.26 -0.56 135.00 137.28 13pk n PRO 111 Ca 0.06 0.42 -0.14 0.00 -0.04 0.00 0.00 63.50 63.80 13pk n PRO 111 Cb 0.48 -1.92 -0.12 0.00 -0.04 0.00 0.00 33.50 31.91 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 -2.96 0.67 0.52 3.54 -1.08 -1.26 -4.65 116.67 111.45 13pk s ASP 112 Ca -0.01 0.26 0.26 0.00 -0.52 0.00 0.00 52.55 52.54 13pk s ASP 112 Cb 0.02 0.69 1.43 0.00 -1.46 0.00 0.00 42.92 43.59 13pk s ASP 112 CO 0.06 -0.28 2.08 0.00 0.52 0.00 0.00 175.17 177.54 13pk n LEU 114 N -3.74 3.70 -2.72 0.00 4.77 -1.26 -4.30 117.00 113.46 13pk n LEU 114 Ca -0.02 -1.86 -0.06 0.00 -0.03 0.00 0.00 56.01 54.05 13pk n LEU 114 Cb 0.23 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 40.90 13pk n LEU 114 CO 0.31 0.84 0.03 -3.20 -1.33 0.00 0.00 177.39 174.03 13pk n ASN 115 N 1.30 0.94 -0.40 -1.43 5.15 -0.90 -4.88 115.26 115.04 13pk n ASN 115 Ca 0.22 -2.45 0.05 0.00 -0.60 0.00 0.00 54.58 51.80 13pk n ASN 115 Cb 0.62 -0.27 0.11 0.00 -0.53 0.00 0.00 39.78 39.71 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 -0.37 2.24 -0.18 5.20 0.00 -1.22 -4.74 120.51 121.44 13pk n ALA 116 Ca 0.05 -1.40 -0.02 0.00 0.00 0.00 0.00 53.44 52.08 13pk n ALA 116 Cb 0.82 -0.32 0.05 0.00 0.00 0.00 0.00 19.45 20.01 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 1.10 0.40 -0.13 0.00 0.00 -1.92 0.07 119.26 118.79 13pk h ALA 117 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.16 13pk h ALA 117 Cb 0.78 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 13pk h ALA 117 CO 0.03 -0.43 -0.44 0.38 0.00 0.00 0.00 179.25 178.79 13pk h ASP 118 N 0.02 -1.39 -0.43 0.00 2.03 -2.00 0.29 116.42 114.94 13pk h ASP 118 Ca 0.27 0.18 -0.02 0.00 -0.73 0.00 0.00 57.03 56.73 13pk h ASP 118 Cb 0.42 0.56 -0.02 0.00 -0.83 0.00 0.00 39.33 39.46 13pk h ASP 118 CO -0.55 -0.44 0.20 0.58 -1.03 0.00 0.00 179.24 178.00 13pk h VAL 119 N -0.51 1.18 -0.25 4.15 2.07 -1.81 -2.74 116.25 118.34 13pk h VAL 119 Ca 0.07 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.06 13pk h VAL 119 Cb 0.64 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 13pk h VAL 119 CO -0.41 0.20 0.16 0.58 0.02 0.00 0.00 177.57 178.13 13pk h VAL 120 N 0.56 1.05 -0.81 2.57 2.07 -0.38 -2.12 116.25 119.20 13pk h VAL 120 Ca 0.15 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.63 13pk h VAL 120 Cb 0.13 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 13pk h VAL 120 CO -0.02 0.06 0.53 0.77 0.02 0.00 0.00 177.57 178.93 13pk h SER 121 N 0.33 0.73 0.00 0.57 4.64 -0.27 0.69 113.55 120.25 13pk h SER 121 Ca 0.09 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 13pk h SER 121 Cb -0.03 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 13pk h SER 121 CO -0.03 0.45 0.00 0.29 -0.87 0.00 0.00 176.83 176.67 13pk n LYS 122 N -4.50 0.88 -1.92 4.77 5.02 -0.81 -4.88 118.16 116.73 13pk n LYS 122 Ca 0.13 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.08 13pk n LYS 122 Cb 0.27 -1.41 0.03 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.00 2.95 0.06 1.97 -1.94 0.23 -5.06 119.30 115.52 13pk s MET 123 Ca 0.34 1.51 -0.03 0.00 -1.71 0.00 0.00 55.69 55.81 13pk s MET 123 Cb 0.16 -1.96 -0.03 0.00 2.01 0.00 0.00 34.83 35.00 13pk s MET 123 CO 0.26 -1.15 0.02 -1.12 -0.01 0.00 0.00 175.02 173.02 13pk s SER 124 N -2.22 0.40 0.25 3.03 0.01 -1.26 -5.07 113.70 108.84 13pk s SER 124 Ca 0.70 -0.94 -0.30 0.00 1.31 0.00 0.00 55.95 56.72 13pk s SER 124 Cb -0.23 0.24 -0.14 0.00 0.21 0.00 0.00 66.02 66.10 13pk s SER 124 CO 0.36 -0.64 1.16 -2.65 0.41 0.00 0.00 173.24 171.89 13pk n PRO 125 N 0.06 1.52 0.00 12.44 -0.02 -1.26 -1.14 135.00 146.60 13pk n PRO 125 Ca -0.14 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 13pk n PRO 125 Cb 0.61 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.59 1.52 3.81 -1.23 0.00 0.65 -4.93 105.19 106.61 13pk n GLY 126 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.57 7.05 -0.08 1.61 1.11 -0.29 -4.92 116.67 119.59 13pk s ASP 127 Ca 0.00 1.63 0.01 0.00 0.18 0.00 0.00 52.55 54.37 13pk s ASP 127 Cb 0.00 -2.51 0.02 0.00 1.07 0.00 0.00 42.92 41.50 13pk s ASP 127 CO 0.00 -0.19 -0.09 -0.69 1.18 0.00 0.00 175.17 175.38 13pk s VAL 128 N -1.88 0.98 -0.06 -1.27 1.01 -1.26 -0.27 120.40 117.65 13pk s VAL 128 Ca 0.54 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.21 13pk s VAL 128 Cb -0.13 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.31 13pk s VAL 128 CO 0.18 0.33 -0.14 -0.69 0.00 0.00 0.00 175.10 174.78 13pk s VAL 129 N 1.04 1.28 -0.15 2.92 1.01 0.16 -1.44 120.40 125.22 13pk s VAL 129 Ca -0.08 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 13pk s VAL 129 Cb -0.15 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 13pk s VAL 129 CO -0.01 0.38 -0.11 -0.22 0.00 0.00 0.00 175.10 175.14 13pk s LEU 130 N 0.40 2.72 0.38 3.92 2.96 0.16 -0.20 118.68 129.03 13pk s LEU 130 Ca -0.11 -0.36 -0.11 0.00 -0.22 0.00 0.00 54.13 53.33 13pk s LEU 130 Cb -0.14 -1.63 -0.07 0.00 0.50 0.00 0.00 46.19 44.85 13pk s LEU 130 CO 0.03 0.11 0.75 -0.76 -1.32 0.00 0.00 176.35 175.16 13pk s LEU 131 N 0.67 3.89 0.94 -0.68 1.43 -0.43 -0.59 118.68 123.91 13pk s LEU 131 Ca -0.06 1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 54.07 13pk s LEU 131 Cb -0.15 -4.00 0.16 0.00 0.03 0.00 0.00 46.19 42.23 13pk s LEU 131 CO 0.02 -0.34 1.12 -0.70 0.23 0.00 0.00 176.35 176.67 13pk s GLU 132 N -3.64 0.84 -0.49 1.70 2.56 0.28 -4.63 118.70 115.31 13pk s GLU 132 Ca 0.51 1.34 -0.44 0.00 0.00 0.00 0.00 54.97 56.39 13pk s GLU 132 Cb -0.10 -1.72 -0.19 0.00 2.00 0.00 0.00 34.13 34.12 13pk s GLU 132 CO 0.28 -2.69 1.91 -1.71 -0.56 0.00 0.00 175.26 172.49 13pk n ASN 133 N -4.25 0.88 0.29 -1.70 2.85 -1.26 -4.38 115.26 107.68 13pk n ASN 133 Ca 0.10 0.82 0.17 0.00 -0.11 0.00 0.00 54.58 55.56 13pk n ASN 133 Cb 0.53 -0.87 0.86 0.00 1.24 0.00 0.00 39.78 41.54 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 6.16 0.23 0.00 3.44 -1.51 -1.50 -1.86 116.25 121.21 13pk h VAL 134 Ca -0.21 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 13pk h VAL 134 Cb 1.36 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 13pk h VAL 134 CO 1.02 0.05 0.00 0.54 -1.23 0.00 0.00 177.57 177.95 13pk n ARG 135 N -3.31 0.94 0.14 5.19 1.74 -1.26 -2.59 116.66 117.50 13pk n ARG 135 Ca -0.01 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.19 13pk n ARG 135 Cb 0.21 -1.16 0.48 0.00 -1.02 0.00 0.00 32.46 30.97 13pk n ARG 135 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 13pk h PHE 136 N 0.00 0.00 -3.31 -1.55 -1.00 -1.63 -3.30 116.94 106.14 13pk h PHE 136 Ca 0.00 0.00 -0.65 0.00 2.81 0.00 0.00 57.97 60.13 13pk h PHE 136 Cb 0.00 0.00 -0.25 0.00 3.61 0.00 0.00 35.95 39.31 13pk h PHE 136 CO 0.00 0.00 -0.73 0.71 -1.61 0.00 0.00 178.31 176.68 13pk s TYR 137 N -3.28 2.89 0.49 -0.55 2.02 -1.07 -1.06 117.35 116.79 13pk s TYR 137 Ca 0.06 -0.51 0.20 0.00 -0.37 0.00 0.00 57.07 56.45 13pk s TYR 137 Cb 0.10 -1.89 1.31 0.00 -0.40 0.00 0.00 41.96 41.08 13pk s TYR 137 CO 0.47 -0.14 2.10 0.87 -1.57 0.00 0.00 175.55 177.27 13pk h LYS 138 N 6.70 0.00 0.00 -0.62 1.57 -0.67 -2.39 116.57 121.15 13pk h LYS 138 Ca -0.28 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 13pk h LYS 138 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 13pk h LYS 138 CO 0.58 0.09 -0.14 1.05 -0.57 0.00 0.00 179.45 180.47 13pk h GLU 139 N 0.00 0.00 -0.45 3.15 9.09 -1.89 -2.04 114.58 122.44 13pk h GLU 139 Ca -0.00 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.49 13pk h GLU 139 Cb 0.19 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.22 13pk h GLU 139 CO 0.01 0.14 0.01 1.49 0.05 0.00 0.00 179.01 180.71 13pk h GLU 140 N 0.00 0.12 -0.54 1.06 4.22 -1.68 -2.30 114.58 115.45 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 0.34 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.56 13pk h GLU 140 CO 0.02 0.08 0.00 0.41 -2.18 0.00 0.00 179.01 177.34 13pk n GLY 141 N -1.29 2.96 3.74 1.92 0.00 -0.99 -0.32 105.19 111.22 13pk n GLY 141 Ca 0.04 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 13pk n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 13pk s SER 142 N -1.08 4.86 0.27 1.61 0.15 -0.80 -4.90 113.70 113.80 13pk s SER 142 Ca 0.46 2.69 0.24 0.00 0.70 0.00 0.00 55.95 60.04 13pk s SER 142 Cb 0.30 -2.63 0.38 0.00 -1.71 0.00 0.00 66.02 62.37 13pk s SER 142 CO 0.21 -1.84 1.47 0.11 1.20 0.00 0.00 173.24 174.39 13pk h LYS 143 N 0.91 0.00 -6.14 5.44 6.56 -1.91 -3.42 116.57 118.01 13pk h LYS 143 Ca -0.51 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 58.49 13pk h LYS 143 Cb 1.32 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.88 13pk h LYS 143 CO 0.55 0.00 0.68 0.15 -2.06 0.00 0.00 179.45 178.77 13pk s LYS 144 N -3.21 3.44 0.37 3.15 1.02 -1.26 -4.90 119.74 118.35 13pk s LYS 144 Ca 0.06 -0.01 0.14 0.00 0.02 0.00 0.00 55.97 56.18 13pk s LYS 144 Cb 0.09 -4.01 0.97 0.00 -0.52 0.00 0.00 37.83 34.36 13pk s LYS 144 CO 0.69 -1.47 1.80 0.00 -0.92 0.00 0.00 175.35 175.45 13pk h ALA 145 N 9.31 2.02 -0.53 5.17 0.00 -1.99 0.21 119.26 133.45 13pk h ALA 145 Ca -0.25 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.78 13pk h ALA 145 Cb 1.07 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 13pk h ALA 145 CO 1.10 -0.38 0.21 1.57 0.00 0.00 0.00 179.25 181.75 13pk h LYS 146 N 0.53 0.39 -0.11 0.00 2.10 -1.96 0.17 116.57 117.69 13pk h LYS 146 Ca 0.55 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 59.17 13pk h LYS 146 Cb 1.18 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 13pk h LYS 146 CO -0.29 0.26 0.05 -0.44 -2.00 0.00 0.00 179.45 177.03 13pk h ASP 147 N 0.40 0.15 -0.25 7.07 5.19 -0.99 -1.58 116.42 126.41 13pk h ASP 147 Ca 0.26 -0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.55 13pk h ASP 147 Cb 0.26 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 13pk h ASP 147 CO -0.24 0.25 0.11 0.03 -3.12 0.00 0.00 179.24 176.27 13pk h ARG 148 N 0.04 0.23 -0.24 3.56 3.08 -0.78 -2.33 114.38 117.93 13pk h ARG 148 Ca 0.04 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 13pk h ARG 148 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 13pk h ARG 148 CO -0.00 0.15 0.07 0.93 -1.07 0.00 0.00 179.97 180.05 13pk h GLU 149 N 0.24 0.34 0.23 0.04 5.08 -0.54 0.69 114.58 120.67 13pk h GLU 149 Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 13pk h GLU 149 Cb 0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 13pk h GLU 149 CO -0.08 0.32 -0.22 0.00 -1.00 0.00 0.00 179.01 178.02 13pk h ALA 150 N 1.74 -0.46 -0.23 3.43 0.00 -0.73 0.18 119.26 123.19 13pk h ALA 150 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 13pk h ALA 150 Cb 0.12 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 13pk h ALA 150 CO -0.01 -0.79 0.03 1.98 0.00 0.00 0.00 179.25 180.47 13pk h MET 151 N -0.49 0.38 -0.48 0.00 1.85 -1.29 -2.82 114.93 112.09 13pk h MET 151 Ca -0.00 -0.11 0.08 0.00 -0.61 0.00 0.00 59.70 59.05 13pk h MET 151 Cb 0.45 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.41 13pk h MET 151 CO -0.05 0.53 0.33 0.00 -0.40 0.00 0.00 176.91 177.32 13pk h ALA 152 N 0.84 2.01 -0.63 0.39 0.00 -0.64 -1.46 119.26 119.77 13pk h ALA 152 Ca 0.07 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.02 13pk h ALA 152 Cb 0.34 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 13pk h ALA 152 CO 0.01 -0.11 0.35 0.87 0.00 0.00 0.00 179.25 180.36 13pk h LYS 153 N 0.34 0.63 0.10 0.00 1.57 -0.36 0.29 116.57 119.14 13pk h LYS 153 Ca 0.22 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 13pk h LYS 153 Cb 0.42 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.59 13pk h LYS 153 CO -0.05 0.42 -0.05 0.82 -0.57 0.00 0.00 179.45 180.02 13pk h ILE 154 N 0.65 1.09 -0.61 1.86 2.04 -1.32 -2.75 117.51 118.47 13pk h ILE 154 Ca 0.28 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.44 13pk h ILE 154 Cb 0.16 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 13pk h ILE 154 CO -0.17 0.18 0.36 -0.07 0.00 0.00 0.00 178.15 178.45 13pk h LEU 155 N -0.47 0.58 -2.36 1.44 4.07 -1.25 -1.51 115.31 115.81 13pk h LEU 155 Ca -0.01 0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.98 13pk h LEU 155 Cb 0.39 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 13pk h LEU 155 CO 0.02 0.40 0.09 0.00 -1.08 0.00 0.00 178.44 177.88 13pk h ALA 156 N 1.28 1.65 0.00 1.53 0.00 -0.33 0.23 119.26 123.62 13pk h ALA 156 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 13pk h ALA 156 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 13pk h ALA 156 CO -0.12 -0.14 0.00 -1.13 0.00 0.00 0.00 179.25 177.87 13pk n SER 157 N -3.82 0.61 -0.00 0.00 3.41 -0.57 -3.15 113.62 110.10 13pk n SER 157 Ca -0.01 0.61 -0.08 0.00 -0.26 0.00 0.00 58.87 59.13 13pk n SER 157 Cb 0.19 -0.75 0.09 0.00 -0.26 0.00 0.00 64.21 63.48 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 0.67 -4.60 7.33 0.05 -0.57 -3.47 116.97 116.36 13pk h TYR 158 Ca 0.00 -0.21 -0.45 0.00 0.05 0.00 0.00 58.73 58.13 13pk h TYR 158 Cb 0.48 -0.14 -0.11 0.00 1.01 0.00 0.00 36.73 37.97 13pk h TYR 158 CO 0.00 0.90 -0.42 0.41 -1.05 0.00 0.00 178.16 178.00 13pk n GLY 159 N 0.07 3.10 0.04 3.88 0.00 -1.19 -4.96 105.19 106.14 13pk n GLY 159 Ca -0.02 -1.93 -0.03 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.76 0.95 -4.89 1.61 8.00 0.91 -4.95 116.55 116.43 13pk n ASP 160 Ca 0.04 0.36 -0.34 0.00 0.71 0.00 0.00 54.79 55.55 13pk n ASP 160 Cb 0.55 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.75 5.38 -0.04 2.53 0.11 -1.16 -4.96 120.40 120.50 13pk s VAL 161 Ca -0.10 -0.09 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 13pk s VAL 161 Cb 0.01 -3.46 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 13pk s VAL 161 CO 0.15 0.41 -0.14 -0.47 -3.33 0.00 0.00 175.10 171.72 13pk s TYR 162 N -1.23 2.72 -0.02 1.54 6.14 -1.26 -0.11 117.35 125.12 13pk s TYR 162 Ca 0.24 -0.14 -0.01 0.00 0.64 0.00 0.00 57.07 57.79 13pk s TYR 162 Cb -0.12 -1.62 0.01 0.00 0.42 0.00 0.00 41.96 40.64 13pk s TYR 162 CO 0.14 0.21 0.05 0.96 0.64 0.00 0.00 175.55 177.55 13pk s ILE 163 N -0.77 -0.01 -0.17 3.14 -4.36 -0.31 -1.87 121.20 116.85 13pk s ILE 163 Ca 0.12 0.02 -0.04 0.00 -0.26 0.00 0.00 60.65 60.49 13pk s ILE 163 Cb -0.11 -0.08 -0.02 0.00 1.25 0.00 0.00 42.46 43.50 13pk s ILE 163 CO 0.01 0.01 -0.03 -0.55 0.24 0.00 0.00 174.94 174.63 13pk s SER 164 N 0.15 4.76 0.00 4.36 0.15 0.74 -2.20 113.70 121.66 13pk s SER 164 Ca -0.01 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.47 13pk s SER 164 Cb -0.02 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 13pk s SER 164 CO -0.00 0.12 0.70 -0.67 1.20 0.00 0.00 173.24 174.59 13pk n ASP 165 N 3.85 1.22 -2.94 5.45 2.03 -0.24 0.13 116.55 126.05 13pk n ASP 165 Ca -0.17 -1.49 -0.32 0.00 0.52 0.00 0.00 54.79 53.33 13pk n ASP 165 Cb 0.52 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 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 -0.25 6.78 -1.99 -1.67 0.00 -0.72 -4.16 120.51 118.50 13pk n ALA 166 Ca 0.00 -3.36 -0.42 0.00 0.00 0.00 0.00 53.44 49.66 13pk n ALA 166 Cb 0.24 -2.62 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 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 -0.45 2.87 0.00 0.00 5.36 -1.26 -0.76 117.98 123.75 13pk s PHE 167 Ca 0.60 0.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.17 13pk s PHE 167 Cb 0.26 -3.88 0.00 0.00 -0.34 0.00 0.00 43.02 39.07 13pk s PHE 167 CO -0.11 -3.31 0.00 0.41 -1.46 0.00 0.00 175.22 170.74 13pk n GLY 168 N 3.78 1.26 0.00 13.12 0.00 -1.26 -4.46 105.19 117.63 13pk n GLY 168 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.29 0.27 2.61 -1.04 0.06 -4.52 114.28 111.96 13pk n THR 169 Ca 0.00 -0.31 0.13 0.00 -2.04 0.00 0.00 64.05 61.83 13pk n THR 169 Cb 0.00 0.92 0.74 0.00 -1.82 0.00 0.00 70.33 70.17 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 1.31 -0.00 2.41 0.00 -1.69 0.37 119.26 121.65 13pk h ALA 170 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 13pk h ALA 170 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 13pk h ALA 170 CO 0.00 0.14 -0.05 -2.39 0.00 0.00 0.00 179.25 176.95 13pk n HIS 171 N -3.66 0.00 -3.22 0.00 1.44 -1.26 0.10 115.22 108.61 13pk n HIS 171 Ca -0.02 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.26 13pk n HIS 171 Cb 0.22 -0.44 -0.07 0.00 0.12 0.00 0.00 29.99 29.83 13pk n HIS 171 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 13pk s ARG 172 N -2.92 3.12 -0.91 -1.40 1.81 0.12 -4.74 118.95 114.03 13pk s ARG 172 Ca 0.16 -0.83 -0.24 0.00 -1.72 0.00 0.00 55.73 53.10 13pk s ARG 172 Cb 0.19 -4.04 0.03 0.00 -0.45 0.00 0.00 34.95 30.68 13pk s ARG 172 CO 0.53 -1.06 1.50 0.34 -0.68 0.00 0.00 175.30 175.93 13pk s ASP 173 N 2.31 6.16 0.43 0.23 2.15 -1.26 -4.47 116.67 122.22 13pk s ASP 173 Ca 0.14 -0.98 0.03 0.00 0.43 0.00 0.00 52.55 52.17 13pk s ASP 173 Cb -0.18 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.85 13pk s ASP 173 CO 0.13 -1.81 0.09 -0.94 -0.17 0.00 0.00 175.17 172.46 13pk s SER 174 N 5.26 3.18 0.11 -0.34 1.04 -1.26 -4.93 113.70 116.76 13pk s SER 174 Ca 0.48 -1.64 -0.22 0.00 0.48 0.00 0.00 55.95 55.05 13pk s SER 174 Cb -0.04 0.45 -0.07 0.00 0.10 0.00 0.00 66.02 66.46 13pk s SER 174 CO -0.01 -0.88 1.71 0.00 0.98 0.00 0.00 173.24 175.05 13pk h ALA 175 N 1.68 0.05 0.02 5.32 0.00 -0.92 0.23 119.26 125.64 13pk h ALA 175 Ca -0.38 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.36 13pk h ALA 175 Cb 1.28 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 13pk h ALA 175 CO 0.63 -0.51 -0.96 1.79 0.00 0.00 0.00 179.25 180.20 13pk h THR 176 N -0.04 1.58 0.07 0.00 1.35 -1.93 0.63 112.91 114.57 13pk h THR 176 Ca 0.06 -2.98 -0.00 0.00 -0.55 0.00 0.00 66.41 62.94 13pk h THR 176 Cb 0.12 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 13pk h THR 176 CO -0.13 0.86 -0.03 0.24 -0.25 0.00 0.00 175.52 176.21 13pk h MET 177 N 0.05 -0.09 0.00 4.72 2.07 -1.81 -3.38 114.93 116.48 13pk h MET 177 Ca -0.04 0.01 -0.12 0.00 -2.07 0.00 0.00 59.70 57.48 13pk h MET 177 Cb 1.65 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 31.38 13pk h MET 177 CO 0.14 0.48 -1.45 0.25 1.07 0.00 0.00 176.91 177.40 13pk n THR 178 N -4.80 0.45 -0.18 2.22 -2.24 0.66 -4.60 114.28 105.79 13pk n THR 178 Ca -0.08 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 13pk n THR 178 Cb 0.30 -0.82 0.01 0.00 -2.10 0.00 0.00 70.33 67.72 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 1.25 0.94 0.63 3.38 0.00 -0.40 -2.62 103.07 106.26 13pk h GLY 179 Ca -0.18 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 13pk h GLY 179 CO 0.01 0.59 -0.05 -2.22 0.00 0.00 0.00 176.54 174.87 13pk h ILE 180 N 0.75 1.09 -0.70 2.60 2.04 -1.08 -0.58 117.51 121.63 13pk h ILE 180 Ca 0.16 -0.79 0.10 0.00 1.00 0.00 0.00 64.86 65.32 13pk h ILE 180 Cb 0.42 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 13pk h ILE 180 CO 0.01 0.19 0.46 1.55 0.00 0.00 0.00 178.15 180.36 13pk h PRO 181 N -0.50 0.55 0.74 2.37 0.13 -1.76 0.87 132.00 134.39 13pk h PRO 181 Ca -0.01 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 13pk h PRO 181 Cb 0.41 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 31.43 13pk h PRO 181 CO 0.02 0.36 -0.37 -0.22 -0.23 0.00 0.00 178.00 177.57 13pk h LYS 182 N 0.56 -0.97 0.00 0.86 3.64 -1.30 0.27 116.57 119.63 13pk h LYS 182 Ca 0.32 0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.71 13pk h LYS 182 Cb 0.50 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 13pk h LYS 182 CO -0.11 -0.65 -0.25 0.82 -2.27 0.00 0.00 179.45 177.00 13pk h ILE 183 N -1.01 1.06 0.00 2.00 2.04 -0.31 -2.16 117.51 119.13 13pk h ILE 183 Ca -0.10 -0.89 -0.15 0.00 1.00 0.00 0.00 64.86 64.72 13pk h ILE 183 Cb 0.78 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 13pk h ILE 183 CO 0.16 0.24 -0.79 0.25 0.00 0.00 0.00 178.15 178.01 13pk h LEU 184 N 0.00 0.00 0.00 1.44 5.85 0.81 -3.48 115.31 119.93 13pk h LEU 184 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 13pk h LEU 184 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 13pk h LEU 184 CO 0.03 0.66 0.00 0.61 -0.34 0.00 0.00 178.44 179.40 13pk n GLY 185 N 1.29 0.51 3.48 3.75 0.00 0.91 -5.03 105.19 110.10 13pk n GLY 185 Ca -0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.51 -0.51 0.00 1.61 2.20 -1.02 -5.03 114.94 109.67 13pk s ASN 186 Ca 0.00 -0.10 0.00 0.00 -0.94 0.00 0.00 52.86 51.82 13pk s ASN 186 Cb 0.00 0.61 0.00 0.00 -2.00 0.00 0.00 41.25 39.86 13pk s ASN 186 CO 0.00 -1.02 0.00 0.61 -2.94 0.00 0.00 177.10 173.75 13pk n GLY 187 N -0.39 1.34 3.63 0.45 0.00 -1.24 -4.36 105.19 104.63 13pk n GLY 187 Ca -0.15 0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 13pk n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 13pk s ALA 188 N 0.00 3.27 -0.13 4.61 0.00 -0.78 -0.99 121.76 127.75 13pk s ALA 188 Ca 0.00 -2.01 -0.10 0.00 0.00 0.00 0.00 51.96 49.84 13pk s ALA 188 Cb 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 13pk s ALA 188 CO 0.00 -0.11 0.21 0.00 0.00 0.00 0.00 175.76 175.86 13pk s ALA 189 N -2.76 3.74 1.16 0.00 0.00 0.17 -0.19 121.76 123.89 13pk s ALA 189 Ca 0.31 -0.55 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 13pk s ALA 189 Cb 0.09 -2.17 0.28 0.00 0.00 0.00 0.00 23.12 21.31 13pk s ALA 189 CO 0.16 0.37 1.17 0.41 0.00 0.00 0.00 175.76 177.87 13pk n GLY 190 N 2.64 -2.33 0.31 0.00 0.00 0.12 -2.35 105.19 103.59 13pk n GLY 190 Ca -0.16 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 13pk n GLY 190 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 13pk h TYR 191 N -2.39 1.18 -0.39 1.61 0.05 -1.93 -1.44 116.97 113.66 13pk h TYR 191 Ca -0.42 -0.18 -0.05 0.00 0.05 0.00 0.00 58.73 58.14 13pk h TYR 191 Cb 1.22 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.63 13pk h TYR 191 CO 0.00 1.00 0.06 1.25 -1.05 0.00 0.00 178.16 179.42 13pk h LEU 192 N 1.01 0.62 0.25 3.88 5.85 -1.87 0.17 115.31 125.22 13pk h LEU 192 Ca 0.19 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.65 13pk h LEU 192 Cb 0.48 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 13pk h LEU 192 CO 0.02 0.72 -0.26 -0.03 -0.34 0.00 0.00 178.44 178.55 13pk h MET 193 N 0.49 -0.53 -0.28 1.25 4.05 -1.69 0.00 114.93 118.23 13pk h MET 193 Ca 0.12 0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.64 13pk h MET 193 Cb 0.37 0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 31.21 13pk h MET 193 CO 0.01 -0.35 -0.29 0.93 0.23 0.00 0.00 176.91 177.43 13pk h GLU 194 N -0.55 -0.28 0.06 0.39 5.08 -1.10 -0.72 114.58 117.46 13pk h GLU 194 Ca -0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 13pk h GLU 194 Cb 0.51 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 13pk h GLU 194 CO -0.07 -0.18 -0.39 -0.22 -1.00 0.00 0.00 179.01 177.14 13pk h LYS 195 N -0.29 -0.57 0.22 2.33 3.64 -0.21 0.95 116.57 122.65 13pk h LYS 195 Ca 0.14 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 13pk h LYS 195 Cb 0.51 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 13pk h LYS 195 CO -0.44 -0.38 -0.22 0.93 -2.27 0.00 0.00 179.45 177.07 13pk h GLU 196 N -0.59 -0.46 -0.86 1.90 4.39 -0.77 0.06 114.58 118.26 13pk h GLU 196 Ca 0.04 0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.89 13pk h GLU 196 Cb 0.64 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.32 13pk h GLU 196 CO -0.27 -0.31 0.48 0.82 -1.16 0.00 0.00 179.01 178.57 13pk h ILE 197 N -0.48 0.84 0.05 3.13 2.04 -0.99 -0.29 117.51 121.81 13pk h ILE 197 Ca -0.00 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 13pk h ILE 197 Cb 0.45 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 13pk h ILE 197 CO -0.05 0.14 -0.02 0.28 0.00 0.00 0.00 178.15 178.49 13pk h SER 198 N 0.76 -0.05 -0.20 1.72 0.02 -0.32 0.20 113.55 115.68 13pk h SER 198 Ca 0.44 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 13pk h SER 198 Cb 0.50 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 13pk h SER 198 CO -0.29 0.31 0.12 0.22 -1.14 0.00 0.00 176.83 176.05 13pk h TYR 199 N -0.43 0.22 -0.56 3.45 5.03 -0.59 0.80 116.97 124.89 13pk h TYR 199 Ca -0.01 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 13pk h TYR 199 Cb 0.39 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.57 13pk h TYR 199 CO 0.05 0.13 0.32 0.74 -1.32 0.00 0.00 178.16 178.08 13pk h PHE 200 N 0.24 0.76 0.18 -3.82 0.04 -1.06 -1.51 116.94 111.77 13pk h PHE 200 Ca 0.08 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 13pk h PHE 200 Cb -0.01 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 13pk h PHE 200 CO -0.08 0.54 -0.29 0.00 -0.60 0.00 0.00 178.31 177.89 13pk h ALA 201 N 1.15 -0.89 -0.85 2.45 0.00 0.22 0.75 119.26 122.09 13pk h ALA 201 Ca 0.20 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.19 13pk h ALA 201 Cb 0.02 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 13pk h ALA 201 CO -0.03 -0.93 0.56 1.57 0.00 0.00 0.00 179.25 180.41 13pk h LYS 202 N -0.49 0.49 0.24 0.00 5.09 -0.84 -2.50 116.57 118.56 13pk h LYS 202 Ca -0.02 -0.03 -0.34 0.00 0.09 0.00 0.00 60.65 60.35 13pk h LYS 202 Cb 0.45 -0.11 0.03 0.00 0.10 0.00 0.00 32.23 32.70 13pk h LYS 202 CO -0.09 0.32 -1.52 0.28 -2.09 0.00 0.00 179.45 176.35 13pk h VAL 203 N 0.50 1.23 0.00 0.07 2.07 -0.40 -3.32 116.25 116.40 13pk h VAL 203 Ca 0.43 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 65.25 13pk h VAL 203 Cb 0.91 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 13pk h VAL 203 CO -0.17 0.82 0.00 0.18 0.02 0.00 0.00 177.57 178.43 13pk n LEU 204 N -3.68 0.68 0.10 2.57 4.77 0.25 -2.64 117.00 119.05 13pk n LEU 204 Ca -0.18 0.62 -0.05 0.00 -0.03 0.00 0.00 56.01 56.37 13pk n LEU 204 Cb 1.10 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 13pk n LEU 204 CO 0.59 -0.39 0.15 1.23 -1.33 0.00 0.00 177.39 177.64 13pk h GLY 205 N 3.21 -0.35 -5.48 -0.72 0.00 -1.57 -3.39 103.07 94.77 13pk h GLY 205 Ca 0.00 0.13 -0.65 0.00 0.00 0.00 0.00 47.33 46.81 13pk h GLY 205 CO 0.00 -0.13 -0.17 0.70 0.00 0.00 0.00 176.54 176.94 13pk n ASN 206 N -4.65 5.33 -4.76 0.19 3.02 -1.24 -5.07 115.26 108.08 13pk n ASN 206 Ca -0.04 -3.70 -0.41 0.00 -0.03 0.00 0.00 54.58 50.40 13pk n ASN 206 Cb 0.13 -0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 38.56 13pk n ASN 206 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 13pk s PRO 207 N -3.72 4.28 -0.05 3.52 0.04 -1.08 -4.92 135.00 133.07 13pk s PRO 207 Ca 0.46 2.30 -0.30 0.00 0.04 0.00 0.00 61.00 63.50 13pk s PRO 207 Cb 0.27 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 13pk s PRO 207 CO -0.15 -0.34 1.31 -2.14 0.04 0.00 0.00 177.00 175.72 13pk s PRO 208 N -1.10 4.30 0.32 0.56 0.02 -1.26 -5.00 135.00 132.83 13pk s PRO 208 Ca 0.55 1.81 0.01 0.00 0.02 0.00 0.00 61.00 63.38 13pk s PRO 208 Cb -0.41 -3.62 -0.03 0.00 0.02 0.00 0.00 34.50 30.45 13pk s PRO 208 CO 0.49 -0.56 0.51 1.03 -0.33 0.00 0.00 177.00 178.14 13pk s ARG 209 N 2.60 3.48 0.58 5.54 0.52 -1.26 -2.51 118.95 127.91 13pk s ARG 209 Ca 0.60 -0.39 -0.19 0.00 -0.52 0.00 0.00 55.73 55.23 13pk s ARG 209 Cb -0.27 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 13pk s ARG 209 CO 0.23 0.20 1.24 -2.14 0.02 0.00 0.00 175.30 174.85 13pk s PRO 210 N -4.19 2.99 -0.26 3.54 0.02 -1.26 -4.20 135.00 131.64 13pk s PRO 210 Ca 0.39 1.91 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 13pk s PRO 210 Cb -0.10 -1.99 0.04 0.00 0.02 0.00 0.00 34.50 32.47 13pk s PRO 210 CO 0.34 -1.21 -0.06 -1.17 -0.33 0.00 0.00 177.00 174.57 13pk s LEU 211 N -3.96 3.36 -0.15 -5.54 2.96 -1.26 -0.61 118.68 113.48 13pk s LEU 211 Ca 0.76 -1.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 13pk s LEU 211 Cb -0.33 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 13pk s LEU 211 CO 0.36 -0.17 0.02 0.54 -1.32 0.00 0.00 176.35 175.79 13pk s VAL 212 N 1.27 4.47 -0.27 1.68 0.11 -0.44 -0.01 120.40 127.20 13pk s VAL 212 Ca -0.03 -0.16 -0.08 0.00 -2.93 0.00 0.00 61.98 58.79 13pk s VAL 212 Cb -0.18 -2.96 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 13pk s VAL 212 CO -0.04 0.52 0.09 0.00 -3.33 0.00 0.00 175.10 172.33 13pk s ALA 213 N -0.05 3.16 -0.32 1.54 0.00 0.03 -1.08 121.76 125.05 13pk s ALA 213 Ca 0.04 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 13pk s ALA 213 Cb -0.13 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 13pk s ALA 213 CO 0.02 -0.66 0.16 0.42 0.00 0.00 0.00 175.76 175.70 13pk s ILE 214 N 1.59 4.65 -0.09 0.00 1.09 0.64 -0.54 121.20 128.54 13pk s ILE 214 Ca 0.05 -0.44 0.03 0.00 -1.10 0.00 0.00 60.65 59.19 13pk s ILE 214 Cb -0.16 -3.39 0.01 0.00 -1.06 0.00 0.00 42.46 37.86 13pk s ILE 214 CO 0.04 0.04 -0.17 0.54 -0.10 0.00 0.00 174.94 175.28 13pk s VAL 215 N 1.62 1.56 0.00 2.92 0.11 -0.26 -0.70 120.40 125.65 13pk s VAL 215 Ca 0.04 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 13pk s VAL 215 Cb -0.17 -1.39 0.00 0.00 -1.53 0.00 0.00 36.38 33.29 13pk s VAL 215 CO 0.07 0.45 0.00 0.61 -3.33 0.00 0.00 175.10 172.90 13pk n GLY 216 N 3.79 5.35 7.00 6.54 0.00 0.13 -1.68 105.19 126.32 13pk n GLY 216 Ca -0.21 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.44 0.00 -0.02 0.00 0.84 -4.37 105.19 102.08 13pk n GLY 217 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 6.47 0.00 -3.13 4.61 0.00 -1.26 -0.14 120.51 127.06 13pk n ALA 218 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 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 -4.30 -0.14 0.00 5.02 -1.26 -4.81 118.16 112.67 13pk n LYS 219 Ca 0.00 0.75 -0.04 0.00 -2.02 0.00 0.00 58.31 57.00 13pk n LYS 219 Cb 0.00 -5.55 0.02 0.00 -0.02 0.00 0.00 35.03 29.48 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 -1.20 0.48 -0.89 -0.18 2.07 -1.95 -0.01 116.25 114.57 13pk h VAL 220 Ca -0.49 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.17 13pk h VAL 220 Cb 1.34 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 13pk h VAL 220 CO 0.55 0.00 0.57 0.77 0.02 0.00 0.00 177.57 179.49 13pk h SER 221 N -0.04 0.66 0.03 0.57 4.64 -1.99 0.35 113.55 117.76 13pk h SER 221 Ca 0.22 0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.42 13pk h SER 221 Cb 0.38 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 13pk h SER 221 CO -0.49 0.33 -0.86 0.44 -0.87 0.00 0.00 176.83 175.38 13pk h ASP 222 N 0.70 0.11 -0.18 4.97 5.19 -1.79 -3.34 116.42 122.09 13pk h ASP 222 Ca 0.45 -0.78 -0.03 0.00 -0.62 0.00 0.00 57.03 56.05 13pk h ASP 222 Cb 0.71 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 13pk h ASP 222 CO -0.21 1.35 0.04 0.50 -3.12 0.00 0.00 179.24 177.81 13pk h LYS 223 N -0.80 0.38 0.00 3.56 3.64 -0.76 -2.10 116.57 120.48 13pk h LYS 223 Ca -0.21 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 13pk h LYS 223 Cb 1.33 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 13pk h LYS 223 CO -0.06 0.37 -0.28 0.97 -2.27 0.00 0.00 179.45 178.18 13pk h ILE 224 N 0.37 1.10 0.00 2.00 2.10 -0.46 -1.96 117.51 120.66 13pk h ILE 224 Ca 0.09 -1.00 0.00 0.00 1.08 0.00 0.00 64.86 65.03 13pk h ILE 224 Cb 0.18 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 13pk h ILE 224 CO -0.00 0.28 0.00 0.00 -1.08 0.00 0.00 178.15 177.34 13pk n GLN 225 N -4.06 0.03 0.10 2.19 6.02 -0.79 -2.77 117.38 118.09 13pk n GLN 225 Ca -0.02 0.09 0.12 0.00 -0.01 0.00 0.00 57.00 57.18 13pk n GLN 225 Cb 0.34 -1.54 0.01 0.00 1.02 0.00 0.00 30.24 30.07 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 -1.59 0.81 -0.22 1.08 4.77 -0.74 -4.21 117.00 116.90 13pk n LEU 226 Ca 0.06 0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 56.27 13pk n LEU 226 Cb 0.31 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.36 13pk n LEU 226 CO 0.24 -0.17 0.95 -0.07 -1.33 0.00 0.00 177.39 177.01 13pk h LEU 227 N 0.00 0.89 -0.40 2.23 3.38 -1.53 -3.10 115.31 116.79 13pk h LEU 227 Ca 0.00 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.83 13pk h LEU 227 Cb 0.97 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 13pk h LEU 227 CO 0.00 0.87 0.05 0.44 0.09 0.00 0.00 178.44 179.89 13pk h ASP 228 N 0.88 -0.04 0.00 -0.43 3.32 -1.73 -1.93 116.42 116.48 13pk h ASP 228 Ca 0.20 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.32 13pk h ASP 228 Cb 0.29 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.95 13pk h ASP 228 CO -0.01 0.01 0.00 -0.46 -1.72 0.00 0.00 179.24 177.07 13pk n ASN 229 N -5.13 0.03 0.00 6.45 6.94 -1.17 -3.00 115.26 119.37 13pk n ASN 229 Ca 0.03 -1.65 0.00 0.00 -0.02 0.00 0.00 54.58 52.94 13pk n ASN 229 Cb 0.19 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 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 -0.48 -0.63 0.21 -3.83 0.00 -0.73 -3.37 117.12 108.28 13pk n MET 230 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 57.70 57.24 13pk n MET 230 Cb 0.01 -0.94 0.45 0.00 0.00 0.00 0.00 33.22 32.73 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 -0.91 3.17 3.38 -1.46 -2.17 115.31 117.32 13pk h LEU 231 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 13pk h LEU 231 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 13pk h LEU 231 CO 0.00 0.29 -0.49 1.56 0.09 0.00 0.00 178.44 179.90 13pk h GLN 232 N 0.00 0.00 0.12 1.13 7.50 -1.84 -3.25 115.11 118.77 13pk h GLN 232 Ca -0.00 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.80 13pk h GLN 232 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.08 13pk h GLN 232 CO 0.04 0.49 -1.89 0.00 -1.50 0.00 0.00 178.83 175.97 13pk h ARG 233 N 0.00 0.26 -6.91 1.46 2.47 -1.77 -3.48 114.38 106.40 13pk h ARG 233 Ca -0.00 -0.44 -0.49 0.00 -1.26 0.00 0.00 59.98 57.78 13pk h ARG 233 Cb 0.95 0.17 0.03 0.00 -1.65 0.00 0.00 29.97 29.47 13pk h ARG 233 CO 0.06 1.15 0.10 0.96 0.56 0.00 0.00 179.97 182.80 13pk s ILE 234 N -2.57 4.92 -0.12 2.04 -4.36 -0.86 -4.87 121.20 115.37 13pk s ILE 234 Ca -0.18 0.18 0.05 0.00 -0.26 0.00 0.00 60.65 60.44 13pk s ILE 234 Cb 0.07 -3.86 -0.11 0.00 1.25 0.00 0.00 42.46 39.80 13pk s ILE 234 CO 0.80 -0.83 -0.04 0.47 0.24 0.00 0.00 174.94 175.58 13pk n ASP 235 N -2.22 2.68 -4.16 4.36 8.00 0.99 -4.65 116.55 121.54 13pk n ASP 235 Ca 0.00 -0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.26 13pk n ASP 235 Cb 0.55 0.29 -0.13 0.00 -0.02 0.00 0.00 41.12 41.80 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 -2.26 1.33 -0.29 1.24 1.51 -0.80 -1.05 117.35 117.03 13pk s TYR 236 Ca -0.11 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 55.57 13pk s TYR 236 Cb 0.04 -0.79 0.09 0.00 -0.11 0.00 0.00 41.96 41.19 13pk s TYR 236 CO 0.37 0.05 0.09 -1.17 -1.11 0.00 0.00 175.55 173.78 13pk s LEU 237 N -1.14 1.76 -0.13 -1.29 2.96 -0.44 -0.79 118.68 119.62 13pk s LEU 237 Ca 0.03 -1.44 -0.19 0.00 -0.22 0.00 0.00 54.13 52.30 13pk s LEU 237 Cb -0.08 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 13pk s LEU 237 CO 0.01 -0.40 0.53 -0.76 -1.32 0.00 0.00 176.35 174.41 13pk s LEU 238 N 1.74 4.25 -0.16 -0.68 1.43 0.30 -0.47 118.68 125.10 13pk s LEU 238 Ca 0.08 0.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 13pk s LEU 238 Cb -0.17 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.29 13pk s LEU 238 CO -0.24 -0.06 -0.20 -0.63 0.23 0.00 0.00 176.35 175.44 13pk s ILE 239 N 0.89 2.16 0.00 -0.59 1.01 -0.33 -1.10 121.20 123.24 13pk s ILE 239 Ca 0.28 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.00 13pk s ILE 239 Cb -0.16 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.42 13pk s ILE 239 CO 0.11 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.20 13pk n GLY 240 N 4.37 6.12 7.00 6.18 0.00 -0.67 -4.02 105.19 124.17 13pk n GLY 240 Ca -0.20 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 2.26 0.94 0.19 -0.02 0.00 0.02 -2.80 105.19 105.77 13pk n GLY 241 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.75 1.20 -1.00 4.61 0.00 -0.84 -3.14 119.26 119.35 13pk h ALA 242 Ca 0.00 -0.33 0.21 0.00 0.00 0.00 0.00 54.91 54.79 13pk h ALA 242 Cb 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.62 13pk h ALA 242 CO 0.00 0.45 0.60 1.98 0.00 0.00 0.00 179.25 182.28 13pk h MET 243 N 0.00 0.68 -0.39 0.00 1.85 -1.59 -2.77 114.93 112.71 13pk h MET 243 Ca -0.00 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.08 13pk h MET 243 Cb 0.73 -0.15 -0.04 0.00 0.43 0.00 0.00 31.60 32.57 13pk h MET 243 CO 0.05 0.45 0.17 0.00 -0.40 0.00 0.00 176.91 177.18 13pk h ALA 244 N 1.68 0.47 -1.00 0.39 0.00 -1.46 -3.18 119.26 116.15 13pk h ALA 244 Ca 0.60 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.70 13pk h ALA 244 Cb 1.01 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 13pk h ALA 244 CO -0.42 -0.21 0.62 1.88 0.00 0.00 0.00 179.25 181.13 13pk h TYR 245 N 0.35 1.07 -0.42 0.00 0.05 -1.70 0.17 116.97 116.50 13pk h TYR 245 Ca 0.17 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.95 13pk h TYR 245 Cb 0.11 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 13pk h TYR 245 CO -0.12 0.33 0.12 1.15 -1.05 0.00 0.00 178.16 178.60 13pk h THR 246 N 0.85 1.22 -0.02 -2.88 2.02 -1.70 -1.30 112.91 111.10 13pk h THR 246 Ca 0.53 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 13pk h THR 246 Cb 0.72 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 13pk h THR 246 CO -0.31 0.26 0.01 -0.26 0.37 0.00 0.00 175.52 175.59 13pk h PHE 247 N 0.54 0.03 -0.90 3.16 0.04 -1.19 -1.17 116.94 117.45 13pk h PHE 247 Ca 0.14 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.96 13pk h PHE 247 Cb 0.28 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.36 13pk h PHE 247 CO 0.01 0.16 0.57 -0.07 -0.60 0.00 0.00 178.31 178.38 13pk h LEU 248 N -0.10 0.91 -0.48 1.54 3.38 -0.65 -0.66 115.31 119.24 13pk h LEU 248 Ca 0.01 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 13pk h LEU 248 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 13pk h LEU 248 CO -0.00 0.59 -0.23 0.50 0.09 0.00 0.00 178.44 179.39 13pk h LYS 249 N 1.05 1.00 -0.13 1.13 3.64 -1.08 -1.48 116.57 120.71 13pk h LYS 249 Ca 0.38 -0.44 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 13pk h LYS 249 Cb 0.13 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 13pk h LYS 249 CO -0.16 1.11 0.07 0.00 -2.27 0.00 0.00 179.45 178.21 13pk h ALA 250 N 0.87 1.89 0.00 5.00 0.00 -0.50 1.00 119.26 127.51 13pk h ALA 250 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 13pk h ALA 250 Cb 0.81 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 13pk h ALA 250 CO 0.07 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.46 13pk n GLN 251 N -4.51 0.24 0.00 0.00 6.02 -0.32 -4.89 117.38 113.92 13pk n GLN 251 Ca -0.01 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 13pk n GLN 251 Cb 0.09 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.54 13pk n GLN 251 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 13pk n GLY 252 N 1.07 1.17 3.97 1.08 0.00 0.35 -5.08 105.19 107.74 13pk n GLY 252 Ca 0.05 0.00 -0.21 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 -0.64 -4.99 117.35 116.37 13pk s TYR 253 Ca 0.00 0.05 -0.27 0.00 -0.37 0.00 0.00 57.07 56.49 13pk s TYR 253 Cb 0.00 -2.35 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 13pk s TYR 253 CO 0.00 -0.41 0.86 -1.12 -1.57 0.00 0.00 175.55 173.31 13pk s SER 254 N -4.26 7.13 -0.00 2.29 0.01 -1.26 -4.37 113.70 113.23 13pk s SER 254 Ca 0.50 1.37 0.16 0.00 1.31 0.00 0.00 55.95 59.29 13pk s SER 254 Cb -0.10 -2.49 -0.18 0.00 0.21 0.00 0.00 66.02 63.46 13pk s SER 254 CO 0.36 -0.28 0.68 -0.38 0.41 0.00 0.00 173.24 174.04 13pk n ILE 255 N 4.16 0.00 -4.29 1.44 -0.00 -1.26 0.63 119.36 120.05 13pk n ILE 255 Ca 0.04 -0.13 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 13pk n ILE 255 Cb 0.50 0.97 0.00 0.00 -0.00 0.00 0.00 39.64 41.11 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 1.39 2.94 1.61 7.39 0.00 -1.21 -1.72 105.19 115.59 13pk n GLY 256 Ca 0.03 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 14.00 2.69 -2.35 1.61 5.02 0.21 -4.97 118.16 134.37 13pk n LYS 257 Ca 0.00 -2.01 -0.33 0.00 -2.02 0.00 0.00 58.31 53.94 13pk n LYS 257 Cb 0.00 -1.89 -0.02 0.00 -0.02 0.00 0.00 35.03 33.10 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 -0.50 6.18 0.16 4.39 0.01 -0.70 -4.69 113.70 118.55 13pk s SER 258 Ca 0.36 1.84 -0.33 0.00 1.31 0.00 0.00 55.95 59.13 13pk s SER 258 Cb 0.29 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.85 13pk s SER 258 CO 0.09 -0.89 1.65 1.17 0.41 0.00 0.00 173.24 175.66 13pk n LYS 259 N -1.42 2.36 -3.71 12.44 0.00 -1.26 -4.99 118.16 121.58 13pk n LYS 259 Ca 0.09 0.85 -0.14 0.00 0.00 0.00 0.00 58.31 59.11 13pk n LYS 259 Cb 0.53 -2.65 -0.09 0.00 0.00 0.00 0.00 35.03 32.82 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 -0.42 3.98 0.54 0.00 0.41 -1.26 -4.87 118.70 117.08 13pk s GLU 261 Ca -0.06 -2.74 0.30 0.00 -0.41 0.00 0.00 54.97 52.06 13pk s GLU 261 Cb -0.03 -4.69 1.46 0.00 -1.78 0.00 0.00 34.13 29.09 13pk s GLU 261 CO 0.03 -1.44 1.91 0.93 -0.49 0.00 0.00 175.26 176.20 13pk h GLU 262 N 7.27 0.00 -0.65 1.61 4.39 -1.97 0.20 114.58 125.42 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 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 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 -4.26 2.30 0.00 1.42 3.41 -1.26 -3.67 113.62 111.55 13pk n SER 263 Ca 0.16 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 13pk n SER 263 Cb 0.87 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.31 -0.23 4.33 4.01 0.69 -4.86 118.16 122.04 13pk n LYS 264 Ca 0.10 -0.28 0.03 0.00 -0.51 0.00 0.00 58.31 57.65 13pk n LYS 264 Cb 0.47 -0.77 0.14 0.00 -0.51 0.00 0.00 35.03 34.37 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 0.01 -0.63 -0.35 3.38 -1.62 0.35 115.31 116.44 13pk h LEU 265 Ca 0.00 0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 13pk h LEU 265 Cb 0.19 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 13pk h LEU 265 CO 0.00 -0.01 -0.33 -0.33 0.09 0.00 0.00 178.44 177.86 13pk h GLU 266 N 0.27 0.71 -0.61 1.13 5.08 -1.89 -1.80 114.58 117.48 13pk h GLU 266 Ca 0.37 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 13pk h GLU 266 Cb 0.58 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 13pk h GLU 266 CO -0.46 0.94 0.40 0.35 -1.00 0.00 0.00 179.01 179.24 13pk h PHE 267 N 0.60 0.76 -0.51 4.33 3.57 -1.34 -0.50 116.94 123.86 13pk h PHE 267 Ca 0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.60 13pk h PHE 267 Cb 0.85 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 13pk h PHE 267 CO 0.04 0.47 0.32 0.00 -2.23 0.00 0.00 178.31 176.92 13pk h ALA 268 N 1.23 0.64 -0.58 2.41 0.00 -0.07 -0.71 119.26 122.18 13pk h ALA 268 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 13pk h ALA 268 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 13pk h ALA 268 CO -0.05 0.05 0.32 0.00 0.00 0.00 0.00 179.25 179.56 13pk h ARG 269 N 0.65 0.81 -0.58 0.00 3.08 -0.59 -1.54 114.38 116.20 13pk h ARG 269 Ca 0.19 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 13pk h ARG 269 Cb -0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 13pk h ARG 269 CO -0.06 0.62 -0.04 1.03 -1.07 0.00 0.00 179.97 180.44 13pk h SER 270 N 0.78 1.05 -0.41 7.04 0.87 -0.80 -1.97 113.55 120.11 13pk h SER 270 Ca 0.20 -0.32 -0.04 0.00 -1.23 0.00 0.00 61.79 60.40 13pk h SER 270 Cb 0.05 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 13pk h SER 270 CO -0.03 1.12 0.13 0.25 -0.53 0.00 0.00 176.83 177.78 13pk h LEU 271 N 0.95 0.64 -0.84 2.23 6.46 -0.86 0.02 115.31 123.92 13pk h LEU 271 Ca 0.16 -0.10 -0.12 0.00 -0.12 0.00 0.00 57.88 57.71 13pk h LEU 271 Cb 0.61 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 13pk h LEU 271 CO 0.04 0.63 -0.39 -0.07 -0.62 0.00 0.00 178.44 178.03 13pk h LEU 272 N 0.69 0.41 0.55 2.25 3.38 -0.86 0.42 115.31 122.15 13pk h LEU 272 Ca 0.16 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 13pk h LEU 272 Cb 0.22 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.86 13pk h LEU 272 CO -0.01 0.77 -0.27 0.11 0.09 0.00 0.00 178.44 179.13 13pk h LYS 273 N 0.33 -0.72 -0.76 1.13 6.56 -0.46 -2.45 116.57 120.21 13pk h LYS 273 Ca 0.03 0.05 0.10 0.00 -1.06 0.00 0.00 60.65 59.78 13pk h LYS 273 Cb 0.83 0.16 -0.08 0.00 -0.57 0.00 0.00 32.23 32.58 13pk h LYS 273 CO 0.07 -0.42 0.39 0.87 -2.06 0.00 0.00 179.45 178.30 13pk h LYS 274 N -0.93 0.61 -0.49 3.15 1.57 -0.93 -0.85 116.57 118.71 13pk h LYS 274 Ca -0.08 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.76 13pk h LYS 274 Cb 0.63 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.73 13pk h LYS 274 CO 0.12 0.41 0.04 0.00 -0.57 0.00 0.00 179.45 179.46 13pk h ALA 275 N 1.46 0.50 -0.15 3.86 0.00 -0.78 0.52 119.26 124.67 13pk h ALA 275 Ca 0.38 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 13pk h ALA 275 Cb 0.43 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 13pk h ALA 275 CO -0.29 -0.36 0.09 0.93 0.00 0.00 0.00 179.25 179.63 13pk h GLU 276 N 0.17 0.21 -0.82 0.00 5.08 -0.72 -0.01 114.58 118.48 13pk h GLU 276 Ca 0.25 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 13pk h GLU 276 Cb 0.36 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 13pk h GLU 276 CO -0.37 0.19 0.54 -0.44 -1.00 0.00 0.00 179.01 177.93 13pk h ASP 277 N 0.17 0.82 -0.30 1.42 5.19 0.04 -1.97 116.42 121.78 13pk h ASP 277 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 13pk h ASP 277 Cb 0.04 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.37 13pk h ASP 277 CO -0.01 0.54 0.00 0.54 -3.12 0.00 0.00 179.24 177.19 13pk n ARG 278 N -4.47 1.77 -3.32 3.56 5.12 0.17 -4.92 116.66 114.56 13pk n ARG 278 Ca 0.12 -1.12 -0.16 0.00 -1.93 0.00 0.00 57.85 54.76 13pk n ARG 278 Cb 0.18 -1.28 0.08 0.00 -1.16 0.00 0.00 32.46 30.29 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 0.39 -5.43 -4.20 5.56 5.02 -0.74 -4.80 118.16 113.96 13pk n LYS 279 Ca 0.10 0.82 -0.31 0.00 -2.02 0.00 0.00 58.31 56.90 13pk n LYS 279 Cb 0.29 -5.70 -0.16 0.00 -0.02 0.00 0.00 35.03 29.43 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 -3.35 1.82 -0.65 -0.18 1.01 -0.06 -4.72 120.40 114.26 13pk s VAL 280 Ca 0.09 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 13pk s VAL 280 Cb -0.01 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.77 13pk s VAL 280 CO 0.70 0.50 1.03 -1.58 0.00 0.00 0.00 175.10 175.75 13pk s GLN 281 N 1.26 3.18 0.01 2.72 0.74 -0.21 -4.15 119.66 123.21 13pk s GLN 281 Ca 0.02 -0.56 -0.22 0.00 0.05 0.00 0.00 55.36 54.65 13pk s GLN 281 Cb -0.13 -4.18 -0.05 0.00 1.10 0.00 0.00 33.01 29.75 13pk s GLN 281 CO -0.09 -1.82 0.65 0.08 -0.55 0.00 0.00 175.29 173.56 13pk s VAL 282 N 4.43 4.86 -0.06 1.34 1.01 -1.26 -1.33 120.40 129.38 13pk s VAL 282 Ca 0.27 1.37 0.03 0.00 0.00 0.00 0.00 61.98 63.65 13pk s VAL 282 Cb -0.14 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.26 13pk s VAL 282 CO 0.14 0.40 -0.15 -0.63 0.00 0.00 0.00 175.10 174.85 13pk s ILE 283 N -0.11 1.34 0.44 2.22 1.01 0.39 -4.92 121.20 121.56 13pk s ILE 283 Ca 0.33 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.43 13pk s ILE 283 Cb -0.19 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 13pk s ILE 283 CO 0.19 0.40 0.19 -0.76 0.00 0.00 0.00 174.94 174.96 13pk s LEU 284 N 0.46 3.01 0.36 2.97 1.43 -1.26 -1.19 118.68 124.45 13pk s LEU 284 Ca -0.13 -1.14 -0.28 0.00 -1.03 0.00 0.00 54.13 51.55 13pk s LEU 284 Cb -0.15 -1.36 -0.11 0.00 0.03 0.00 0.00 46.19 44.60 13pk s LEU 284 CO 0.04 -0.63 1.50 -2.65 0.23 0.00 0.00 176.35 174.84 13pk n PRO 285 N -1.30 2.66 -0.02 1.29 -0.02 -1.26 -4.92 135.00 131.44 13pk n PRO 285 Ca -0.03 0.94 -0.19 0.00 -2.02 0.00 0.00 63.50 62.20 13pk n PRO 285 Cb 0.65 -2.67 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 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 1.72 -4.18 4.25 5.41 -1.26 -4.73 119.36 121.33 13pk n ILE 286 Ca 0.03 -0.67 -0.13 0.00 1.00 0.00 0.00 62.75 62.98 13pk n ILE 286 Cb 0.38 -1.59 -0.08 0.00 -0.71 0.00 0.00 39.64 37.64 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 -6.84 0.47 0.15 4.38 -4.77 -1.26 -2.85 116.67 105.96 13pk s ASP 287 Ca -0.22 -1.40 -0.01 0.00 -3.30 0.00 0.00 52.55 47.62 13pk s ASP 287 Cb 0.07 0.47 -0.04 0.00 -1.09 0.00 0.00 42.92 42.33 13pk s ASP 287 CO 0.76 -0.96 0.07 -1.00 0.70 0.00 0.00 175.17 174.74 13pk s HIS 288 N -3.91 0.95 -0.17 2.11 3.76 -1.26 -1.74 115.29 115.03 13pk s HIS 288 Ca 0.36 -1.27 -0.01 0.00 -0.15 0.00 0.00 55.06 53.99 13pk s HIS 288 Cb 0.04 -0.51 -0.01 0.00 1.11 0.00 0.00 32.58 33.22 13pk s HIS 288 CO 0.15 -0.54 -0.11 0.08 -0.85 0.00 0.00 174.74 173.47 13pk s VAL 289 N -4.07 2.99 0.31 -0.90 1.01 -0.11 -1.38 120.40 118.26 13pk s VAL 289 Ca 0.28 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.64 13pk s VAL 289 Cb 0.07 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 13pk s VAL 289 CO 0.04 0.49 0.16 0.00 0.00 0.00 0.00 175.10 175.80 13pk s HIS 291 N -3.58 -0.38 -0.18 0.00 2.46 -0.68 -0.80 115.29 112.12 13pk s HIS 291 Ca 0.35 0.19 0.29 0.00 0.47 0.00 0.00 55.06 56.36 13pk s HIS 291 Cb 0.05 0.56 0.99 0.00 -0.13 0.00 0.00 32.58 34.05 13pk s HIS 291 CO 0.18 -0.71 1.83 1.79 -2.47 0.00 0.00 174.74 175.36 13pk h THR 292 N 2.00 0.00 -3.60 0.89 1.35 -1.87 0.14 112.91 111.83 13pk h THR 292 Ca -0.26 -0.61 -0.10 0.00 -0.55 0.00 0.00 66.41 64.89 13pk h THR 292 Cb 1.26 1.58 -0.16 0.00 -1.73 0.00 0.00 68.15 69.11 13pk h THR 292 CO 0.32 0.00 -0.35 -1.83 -0.25 0.00 0.00 175.52 173.42 13pk s GLU 293 N -3.45 0.78 -0.98 4.72 -1.05 -1.26 -4.78 118.70 112.68 13pk s GLU 293 Ca 0.04 -0.73 -0.17 0.00 -0.15 0.00 0.00 54.97 53.96 13pk s GLU 293 Cb 0.08 0.33 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 13pk s GLU 293 CO 0.56 -0.24 2.07 0.34 0.95 0.00 0.00 175.26 178.94 13pk n PHE 294 N 0.36 2.16 -3.83 4.83 -0.00 -1.26 -4.77 117.46 114.95 13pk n PHE 294 Ca -0.17 -2.14 -0.12 0.00 -0.00 0.00 0.00 57.45 55.01 13pk n PHE 294 Cb 0.60 -1.92 -0.11 0.00 -0.00 0.00 0.00 39.48 38.06 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 4.21 0.36 0.50 -4.13 1.02 -1.26 -5.14 119.74 115.30 13pk s LYS 295 Ca 0.53 -0.02 -0.21 0.00 0.02 0.00 0.00 55.97 56.29 13pk s LYS 295 Cb 0.14 0.16 -0.07 0.00 -0.52 0.00 0.00 37.83 37.54 13pk s LYS 295 CO 0.04 -0.07 1.10 0.00 -0.92 0.00 0.00 175.35 175.50 13pk s ALA 296 N -0.58 2.82 -0.24 5.17 0.00 -1.26 -4.99 121.76 122.68 13pk s ALA 296 Ca -0.07 0.76 -0.13 0.00 0.00 0.00 0.00 51.96 52.52 13pk s ALA 296 Cb -0.04 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 19.83 13pk s ALA 296 CO 0.01 -0.56 0.60 0.54 0.00 0.00 0.00 175.76 176.34 13pk s VAL 297 N -1.79 -0.06 0.28 0.00 0.11 -1.26 -5.09 120.40 112.58 13pk s VAL 297 Ca 0.68 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.47 13pk s VAL 297 Cb -0.22 -0.87 -0.11 0.00 -1.53 0.00 0.00 36.38 33.65 13pk s VAL 297 CO 0.26 0.01 1.57 -1.81 -3.33 0.00 0.00 175.10 171.81 13pk s ASP 298 N 1.63 6.42 -0.82 3.54 1.11 -1.26 -3.52 116.67 123.78 13pk s ASP 298 Ca -0.10 2.89 -0.02 0.00 0.18 0.00 0.00 52.55 55.51 13pk s ASP 298 Cb -0.06 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.28 13pk s ASP 298 CO -0.18 -0.88 0.73 -1.20 1.18 0.00 0.00 175.17 174.83 13pk n SER 299 N 2.34 -7.27 -4.19 0.27 7.64 -1.26 -5.02 113.62 106.13 13pk n SER 299 Ca 0.08 -0.29 -0.28 0.00 1.01 0.00 0.00 58.87 59.39 13pk n SER 299 Cb 0.38 -4.93 0.18 0.00 -1.01 0.00 0.00 64.21 58.83 13pk n SER 299 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 13pk s PRO 300 N -3.52 0.74 0.01 1.43 0.04 -1.23 -5.00 135.00 127.47 13pk s PRO 300 Ca 0.10 -0.69 -0.30 0.00 0.04 0.00 0.00 61.00 60.14 13pk s PRO 300 Cb -0.02 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 13pk s PRO 300 CO 0.76 -2.27 1.34 -1.17 0.04 0.00 0.00 177.00 175.71 13pk s LEU 301 N -5.73 4.32 -0.28 -3.56 2.96 0.02 -4.82 118.68 111.59 13pk s LEU 301 Ca 0.74 2.06 -0.00 0.00 -0.22 0.00 0.00 54.13 56.71 13pk s LEU 301 Cb -0.03 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.14 13pk s LEU 301 CO 0.51 -0.66 -0.04 -0.51 -1.32 0.00 0.00 176.35 174.33 13pk s ILE 302 N 2.10 2.73 1.00 6.68 1.10 -1.26 0.10 121.20 133.66 13pk s ILE 302 Ca 0.62 -1.39 -0.12 0.00 -0.51 0.00 0.00 60.65 59.25 13pk s ILE 302 Cb -0.30 -2.54 0.19 0.00 0.15 0.00 0.00 42.46 39.95 13pk s ILE 302 CO 0.26 -0.03 1.09 0.42 -2.11 0.00 0.00 174.94 174.57 13pk s THR 303 N 1.22 2.19 -0.13 4.00 -4.23 -0.48 -4.95 115.64 113.28 13pk s THR 303 Ca -0.05 0.06 0.09 0.00 -1.18 0.00 0.00 61.69 60.61 13pk s THR 303 Cb -0.19 -2.49 -0.14 0.00 1.34 0.00 0.00 72.50 71.02 13pk s THR 303 CO -0.03 -0.08 0.01 -0.62 -0.54 0.00 0.00 174.62 173.36 13pk n GLU 304 N -4.21 1.73 -2.98 3.99 -0.58 -1.26 -4.28 120.64 113.04 13pk n GLU 304 Ca 0.05 0.01 -0.19 0.00 -0.42 0.00 0.00 57.16 56.62 13pk n GLU 304 Cb 0.56 -1.31 0.05 0.00 -0.57 0.00 0.00 31.44 30.17 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 -2.54 2.06 0.03 1.62 8.00 -1.26 -4.68 116.55 119.79 13pk n ASP 305 Ca -0.21 -2.46 0.13 0.00 0.71 0.00 0.00 54.79 52.95 13pk n ASP 305 Cb 0.88 -0.30 0.40 0.00 -0.02 0.00 0.00 41.12 42.08 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 -2.03 0.11 -2.77 -1.24 3.00 -1.13 -4.10 117.38 109.22 13pk n GLN 306 Ca 0.11 0.06 -0.38 0.00 -0.01 0.00 0.00 57.00 56.78 13pk n GLN 306 Cb 0.55 -1.60 -0.06 0.00 0.00 0.00 0.00 30.24 29.12 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 -3.56 7.48 -0.14 1.08 0.01 -1.26 -4.62 114.94 113.94 13pk s ASN 307 Ca 0.11 1.88 0.01 0.00 -0.71 0.00 0.00 52.86 54.15 13pk s ASN 307 Cb 0.16 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 13pk s ASN 307 CO 0.62 0.04 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.47 13pk s ILE 308 N -1.41 2.77 0.29 0.60 1.01 0.21 -4.82 121.20 119.85 13pk s ILE 308 Ca 0.46 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 13pk s ILE 308 Cb -0.22 -2.15 -0.13 0.00 0.01 0.00 0.00 42.46 39.97 13pk s ILE 308 CO 0.28 0.52 1.32 -2.65 0.00 0.00 0.00 174.94 174.41 13pk n PRO 309 N 3.73 2.03 -0.36 2.79 -0.02 -1.26 -3.32 135.00 138.59 13pk n PRO 309 Ca -0.19 0.72 0.27 0.00 -2.02 0.00 0.00 63.50 62.28 13pk n PRO 309 Cb 0.52 -2.32 0.53 0.00 -0.02 0.00 0.00 33.50 32.22 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 3.22 0.29 -0.01 -0.52 3.07 -1.95 0.13 114.58 118.82 13pk h GLU 310 Ca -0.45 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 13pk h GLU 310 Cb 1.28 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 13pk h GLU 310 CO 0.68 0.19 -0.03 0.41 -1.40 0.00 0.00 179.01 178.86 13pk n GLY 311 N -1.42 -0.52 3.76 -3.84 0.00 -1.26 -3.70 105.19 98.21 13pk n GLY 311 Ca 0.31 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.11 2.79 -0.06 1.61 3.76 0.46 -4.36 115.29 117.38 13pk s HIS 312 Ca 0.39 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 55.00 13pk s HIS 312 Cb 0.21 -1.60 0.01 0.00 1.11 0.00 0.00 32.58 32.32 13pk s HIS 312 CO 0.38 0.35 -0.11 0.00 -0.85 0.00 0.00 174.74 174.52 13pk s MET 313 N -3.86 1.51 0.00 1.40 0.23 0.49 0.64 119.30 119.71 13pk s MET 313 Ca 0.37 -0.36 -0.30 0.00 -1.03 0.00 0.00 55.69 54.37 13pk s MET 313 Cb -0.04 -1.28 -0.04 0.00 -1.53 0.00 0.00 34.83 31.94 13pk s MET 313 CO 0.23 0.02 1.06 0.00 -2.03 0.00 0.00 175.02 174.31 13pk s ALA 314 N 0.66 3.28 -0.40 3.16 0.00 -1.26 -1.68 121.76 125.51 13pk s ALA 314 Ca -0.13 0.62 0.05 0.00 0.00 0.00 0.00 51.96 52.49 13pk s ALA 314 Cb -0.15 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 13pk s ALA 314 CO 0.03 -0.37 0.40 1.28 0.00 0.00 0.00 175.76 177.09 13pk n LEU 315 N 4.14 0.74 -3.45 0.00 4.77 0.20 -4.83 117.00 118.56 13pk n LEU 315 Ca 0.08 -0.71 -0.11 0.00 -0.03 0.00 0.00 56.01 55.23 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 0.16 0.49 -0.62 -1.33 0.00 0.00 177.39 176.62 13pk s ASP 316 N -1.01 -0.51 0.41 -1.43 2.15 -1.10 -0.57 116.67 114.61 13pk s ASP 316 Ca 0.04 0.03 -0.23 0.00 0.43 0.00 0.00 52.55 52.82 13pk s ASP 316 Cb 0.04 0.53 -0.09 0.00 -0.30 0.00 0.00 42.92 43.10 13pk s ASP 316 CO 0.14 -0.84 1.04 0.27 -0.17 0.00 0.00 175.17 175.61 13pk s ILE 317 N -3.43 3.75 0.83 4.11 -4.36 -1.24 -0.93 121.20 119.94 13pk s ILE 317 Ca 0.02 1.29 -0.12 0.00 -0.26 0.00 0.00 60.65 61.58 13pk s ILE 317 Cb -0.01 -3.64 0.09 0.00 1.25 0.00 0.00 42.46 40.15 13pk s ILE 317 CO -0.11 -0.04 1.17 -0.83 0.24 0.00 0.00 174.94 175.37 13pk s GLY 318 N -1.65 1.59 0.26 6.27 0.00 -0.71 -4.48 107.32 108.60 13pk s GLY 318 Ca 0.59 -0.62 -0.02 0.00 0.00 0.00 0.00 44.72 44.68 13pk s GLY 318 CO 0.26 -0.11 1.83 -0.56 0.00 0.00 0.00 173.10 174.52 13pk h PRO 319 N -1.16 0.90 -0.32 2.90 0.13 -1.91 -0.19 132.00 132.36 13pk h PRO 319 Ca -0.47 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.52 13pk h PRO 319 Cb 1.33 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 13pk h PRO 319 CO 0.65 0.60 -0.14 0.87 -0.23 0.00 0.00 178.00 179.75 13pk h LYS 320 N 0.93 0.56 -0.27 0.86 1.57 -1.94 -1.18 116.57 117.10 13pk h LYS 320 Ca 0.44 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.92 13pk h LYS 320 Cb 0.38 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 13pk h LYS 320 CO -0.24 0.69 -0.33 1.15 -0.57 0.00 0.00 179.45 180.15 13pk h THR 321 N 0.51 1.30 -0.93 -0.16 2.02 -1.54 -2.08 112.91 112.03 13pk h THR 321 Ca 0.09 -1.51 0.04 0.00 0.77 0.00 0.00 66.41 65.80 13pk h THR 321 Cb 0.54 1.63 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 13pk h THR 321 CO 0.03 0.48 0.61 0.40 0.37 0.00 0.00 175.52 177.42 13pk h ILE 322 N 0.44 1.15 0.20 3.11 2.04 -0.70 0.06 117.51 123.81 13pk h ILE 322 Ca 0.04 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 13pk h ILE 322 Cb 0.91 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 13pk h ILE 322 CO 0.08 0.21 -0.09 -0.33 0.00 0.00 0.00 178.15 178.02 13pk h GLU 323 N 1.16 -0.25 -0.17 2.37 5.08 -0.95 0.05 114.58 121.86 13pk h GLU 323 Ca 0.37 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 13pk h GLU 323 Cb 0.03 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 13pk h GLU 323 CO -0.12 -0.05 0.11 -0.22 -1.00 0.00 0.00 179.01 177.74 13pk h LYS 324 N -0.42 0.23 -0.24 2.33 1.63 -1.03 0.15 116.57 119.22 13pk h LYS 324 Ca -0.03 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.77 13pk h LYS 324 Cb 0.32 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 13pk h LYS 324 CO 0.04 0.17 0.13 1.88 -3.45 0.00 0.00 179.45 178.22 13pk h TYR 325 N 0.22 0.24 -0.58 1.91 -1.99 -0.95 0.25 116.97 116.08 13pk h TYR 325 Ca 0.06 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 13pk h TYR 325 Cb -0.01 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 38.62 13pk h TYR 325 CO -0.06 0.14 0.24 0.28 -0.00 0.00 0.00 178.16 178.75 13pk h VAL 326 N 0.27 1.22 0.15 -2.88 2.07 -0.87 -0.68 116.25 115.53 13pk h VAL 326 Ca 0.10 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 13pk h VAL 326 Cb 0.01 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 13pk h VAL 326 CO -0.06 0.27 -0.09 -0.61 0.02 0.00 0.00 177.57 177.10 13pk h GLN 327 N 0.80 -0.22 -0.20 1.57 4.15 -0.06 -1.34 115.11 119.81 13pk h GLN 327 Ca 0.19 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.57 13pk h GLN 327 Cb 0.19 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 13pk h GLN 327 CO -0.02 -0.15 -0.13 0.00 -1.93 0.00 0.00 178.83 176.60 13pk h THR 328 N -0.23 1.20 -0.27 2.39 1.03 -0.32 -0.63 112.91 116.07 13pk h THR 328 Ca -0.01 -0.89 -0.03 0.00 -0.01 0.00 0.00 66.41 65.47 13pk h THR 328 Cb 0.19 1.20 -0.01 0.00 -1.07 0.00 0.00 68.15 68.45 13pk h THR 328 CO 0.02 0.28 0.05 0.40 -0.01 0.00 0.00 175.52 176.26 13pk h ILE 329 N 0.31 1.14 0.00 0.00 2.04 -0.68 0.18 117.51 120.50 13pk h ILE 329 Ca 0.06 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 13pk h ILE 329 Cb 0.43 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 13pk h ILE 329 CO 0.03 0.18 -0.13 1.23 0.00 0.00 0.00 178.15 179.46 13pk h GLY 330 N 0.63 0.00 0.64 5.37 0.00 0.02 -2.25 103.07 107.48 13pk h GLY 330 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 13pk h GLY 330 CO -0.00 0.00 -0.05 0.28 0.00 0.00 0.00 176.54 176.77 13pk n LYS 331 N -3.40 0.99 -3.65 4.80 5.02 0.63 -4.92 118.16 117.64 13pk n LYS 331 Ca -0.01 -0.32 -0.20 0.00 -2.02 0.00 0.00 58.31 55.75 13pk n LYS 331 Cb 0.32 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.48 4.09 -4.00 0.00 5.02 0.22 -4.84 118.16 117.17 13pk n LYS 333 Ca 0.00 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 13pk n LYS 333 Cb 0.60 -0.79 -0.14 0.00 -0.02 0.00 0.00 35.03 34.67 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 -1.66 0.30 -0.05 4.39 0.01 -0.66 -1.20 113.70 114.83 13pk s SER 334 Ca 0.01 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 13pk s SER 334 Cb 0.02 -0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.24 13pk s SER 334 CO 0.14 0.01 0.10 0.00 0.41 0.00 0.00 173.24 173.91 13pk s ALA 335 N 0.07 -0.07 -0.17 1.44 0.00 -0.10 -1.33 121.76 121.60 13pk s ALA 335 Ca -0.00 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.44 13pk s ALA 335 Cb -0.02 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.62 13pk s ALA 335 CO -0.00 -0.27 -0.16 0.42 0.00 0.00 0.00 175.76 175.74 13pk s ILE 336 N 1.52 1.78 -0.07 0.00 1.01 -0.24 -1.34 121.20 123.84 13pk s ILE 336 Ca -0.05 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.86 13pk s ILE 336 Cb -0.12 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 13pk s ILE 336 CO -0.05 0.47 -0.23 0.86 0.00 0.00 0.00 174.94 175.99 13pk s TRP 337 N 1.40 2.52 -0.10 3.97 -0.00 0.91 -0.26 118.94 127.38 13pk s TRP 337 Ca 0.04 -0.75 -0.04 0.00 -0.00 0.00 0.00 56.10 55.35 13pk s TRP 337 Cb -0.13 -1.65 0.05 0.00 -0.00 0.00 0.00 33.47 31.74 13pk s TRP 337 CO -0.11 -0.24 0.20 1.21 -0.00 0.00 0.00 176.95 178.01 13pk s ASN 338 N -0.03 0.57 0.00 5.86 3.04 0.12 -1.05 114.94 123.45 13pk s ASN 338 Ca -0.07 0.43 0.00 0.00 0.04 0.00 0.00 52.86 53.26 13pk s ASN 338 Cb -0.15 0.43 0.00 0.00 -1.54 0.00 0.00 41.25 39.99 13pk s ASN 338 CO 0.05 -0.24 0.00 0.61 -3.04 0.00 0.00 177.10 174.48 13pk n GLY 339 N 5.30 1.60 3.65 1.21 0.00 -1.26 0.18 105.19 115.87 13pk n GLY 339 Ca -0.06 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 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 2.62 0.75 0.08 1.61 -0.02 -1.26 -3.39 135.00 135.39 13pk n PRO 340 Ca 0.00 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 13pk n PRO 340 Cb 0.00 -2.31 0.46 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.78 0.17 -0.67 -0.52 2.81 -1.26 -0.11 117.12 115.76 13pk n MET 341 Ca 0.14 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 13pk n MET 341 Cb 0.49 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 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 0.91 2.14 2.82 3.03 0.00 -1.26 -0.80 105.19 112.03 13pk n GLY 342 Ca 0.05 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 3.65 0.32 1.61 0.31 0.26 -4.76 118.33 119.73 13pk n VAL 343 Ca 0.00 -3.35 0.18 0.00 -0.01 0.00 0.00 64.34 61.16 13pk n VAL 343 Cb 0.00 -2.55 0.94 0.00 -0.91 0.00 0.00 33.84 31.32 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 6.08 0.00 0.00 3.52 -0.00 -1.86 -0.50 116.94 124.18 13pk h PHE 344 Ca 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.48 13pk h PHE 344 Cb 0.66 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.60 13pk h PHE 344 CO 1.42 0.00 -0.07 0.93 -0.00 0.00 0.00 178.31 180.59 13pk h GLU 345 N 0.00 0.00 -5.17 6.09 3.07 -1.87 -3.40 114.58 113.30 13pk h GLU 345 Ca 0.01 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.25 13pk h GLU 345 Cb 0.48 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.20 13pk h GLU 345 CO -0.00 0.07 -0.59 -1.64 -1.40 0.00 0.00 179.01 175.45 13pk s MET 346 N -4.31 3.86 0.22 2.33 -1.94 -0.20 -5.02 119.30 114.24 13pk s MET 346 Ca -0.04 -0.40 -0.15 0.00 -1.71 0.00 0.00 55.69 53.40 13pk s MET 346 Cb 0.14 -3.24 0.24 0.00 2.01 0.00 0.00 34.83 33.98 13pk s MET 346 CO 0.56 0.12 1.60 0.28 -0.01 0.00 0.00 175.02 177.57 13pk h VAL 347 N 5.11 0.24 0.00 -6.03 2.07 -1.84 -0.36 116.25 115.43 13pk h VAL 347 Ca -0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.16 13pk h VAL 347 Cb 1.17 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 13pk h VAL 347 CO 0.65 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.79 13pk h PRO 348 N -0.05 0.00 -0.26 1.57 0.13 -1.92 -2.21 132.00 129.26 13pk h PRO 348 Ca 0.32 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.39 13pk h PRO 348 Cb 0.54 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 13pk h PRO 348 CO -0.74 0.00 -0.02 0.66 -0.23 0.00 0.00 178.00 177.68 13pk n TYR 349 N -2.71 0.90 0.64 1.56 4.01 -0.18 -4.58 117.16 116.80 13pk n TYR 349 Ca -0.01 -1.10 0.07 0.00 -0.16 0.00 0.00 57.90 56.70 13pk n TYR 349 Cb 0.12 -0.35 -0.09 0.00 -0.31 0.00 0.00 39.34 38.72 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 -0.78 0.76 -0.20 7.72 3.41 -0.83 -3.16 113.62 120.54 13pk n SER 350 Ca 0.24 -0.78 -0.01 0.00 -0.26 0.00 0.00 58.87 58.06 13pk n SER 350 Cb 0.91 1.05 0.10 0.00 -0.26 0.00 0.00 64.21 66.01 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 0.42 -0.41 4.33 1.57 -1.81 -1.93 116.57 118.74 13pk h LYS 351 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 13pk h LYS 351 Cb 0.37 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 13pk h LYS 351 CO 0.00 0.28 0.26 0.78 -0.57 0.00 0.00 179.45 180.20 13pk h GLY 352 N 0.43 0.59 0.95 3.86 0.00 -1.82 -0.46 103.07 106.62 13pk h GLY 352 Ca 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 13pk h GLY 352 CO -0.28 0.23 0.15 -0.84 0.00 0.00 0.00 176.54 175.80 13pk h THR 353 N 0.55 1.14 0.00 4.70 2.02 -1.78 -2.12 112.91 117.42 13pk h THR 353 Ca 0.15 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 13pk h THR 353 Cb -0.03 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 13pk h THR 353 CO -0.03 0.14 -0.34 -0.26 0.37 0.00 0.00 175.52 175.40 13pk h PHE 354 N 0.34 0.00 -0.15 3.16 0.04 -1.26 -2.08 116.94 116.99 13pk h PHE 354 Ca 0.10 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 13pk h PHE 354 Cb 0.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 13pk h PHE 354 CO -0.03 0.34 -0.09 0.00 -0.60 0.00 0.00 178.31 177.93 13pk h ALA 355 N 1.66 0.21 -0.31 2.45 0.00 -0.70 0.06 119.26 122.61 13pk h ALA 355 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 13pk h ALA 355 Cb 0.83 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 13pk h ALA 355 CO 0.04 0.03 0.16 0.82 0.00 0.00 0.00 179.25 180.31 13pk h ILE 356 N -0.02 1.15 -0.31 0.00 1.08 -1.35 -0.88 117.51 117.17 13pk h ILE 356 Ca 0.03 -0.41 0.04 0.00 -0.39 0.00 0.00 64.86 64.13 13pk h ILE 356 Cb 0.58 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 13pk h ILE 356 CO 0.03 0.15 0.07 0.00 -0.69 0.00 0.00 178.15 177.71 13pk h ALA 357 N 1.02 0.34 -0.35 1.87 0.00 -1.30 0.15 119.26 120.98 13pk h ALA 357 Ca 0.11 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.10 13pk h ALA 357 Cb 0.10 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 13pk h ALA 357 CO -0.02 -0.33 0.17 -0.22 0.00 0.00 0.00 179.25 178.86 13pk h LYS 358 N 0.19 0.35 -0.71 0.00 3.64 -0.77 0.14 116.57 119.41 13pk h LYS 358 Ca 0.14 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 13pk h LYS 358 Cb 0.15 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 13pk h LYS 358 CO -0.18 0.23 0.36 0.00 -2.27 0.00 0.00 179.45 177.59 13pk h ALA 359 N 1.19 0.91 -0.21 5.00 0.00 -0.62 0.14 119.26 125.67 13pk h ALA 359 Ca 0.15 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 13pk h ALA 359 Cb 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 13pk h ALA 359 CO -0.11 0.46 -0.22 0.52 0.00 0.00 0.00 179.25 179.90 13pk h MET 360 N 0.98 0.52 -0.61 0.00 2.86 -0.51 0.26 114.93 118.43 13pk h MET 360 Ca 0.24 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 13pk h MET 360 Cb 0.09 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 13pk h MET 360 CO -0.03 0.86 0.29 0.78 1.06 0.00 0.00 176.91 179.87 13pk h GLY 361 N 0.19 0.94 0.87 8.32 0.00 -0.57 -1.37 103.07 111.45 13pk h GLY 361 Ca 0.03 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 13pk h GLY 361 CO 0.05 0.44 -0.08 -0.09 0.00 0.00 0.00 176.54 176.87 13pk h ARG 362 N 0.83 0.53 -0.43 4.80 2.43 -0.67 -1.46 114.38 120.41 13pk h ARG 362 Ca 0.21 -0.21 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 13pk h ARG 362 Cb 0.12 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 13pk h ARG 362 CO -0.03 0.75 0.14 0.78 -1.51 0.00 0.00 179.97 180.11 13pk h GLY 363 N 0.27 0.55 0.86 2.80 0.00 -0.25 0.39 103.07 107.69 13pk h GLY 363 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 13pk h GLY 363 CO 0.03 0.02 -0.22 -0.84 0.00 0.00 0.00 176.54 175.53 13pk h THR 364 N 0.31 0.53 -0.97 4.70 2.02 -1.20 0.20 112.91 118.50 13pk h THR 364 Ca 0.20 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.17 13pk h THR 364 Cb 0.20 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 13pk h THR 364 CO -0.21 0.04 0.64 -0.74 0.37 0.00 0.00 175.52 175.62 13pk h HIS 365 N -0.76 1.20 0.00 3.16 -0.00 -0.98 -0.57 115.15 117.19 13pk h HIS 365 Ca -0.06 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 13pk h HIS 365 Cb 0.54 -0.40 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 13pk h HIS 365 CO -0.01 0.71 -0.99 0.39 -0.00 0.00 0.00 177.93 178.02 13pk n GLU 366 N -4.43 0.39 -0.03 5.26 1.02 0.14 -4.71 120.64 118.28 13pk n GLU 366 Ca 0.13 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 13pk n GLU 366 Cb 0.08 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 13pk n GLU 366 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 13pk n HIS 367 N -1.51 0.00 -1.03 -0.32 8.25 0.68 -5.02 115.22 116.28 13pk n HIS 367 Ca 0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.48 13pk n HIS 367 Cb 0.32 0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 0.00 0.40 3.67 -1.41 0.00 -0.23 -4.91 105.19 102.71 13pk n GLY 368 Ca 0.00 -0.09 -0.51 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.11 2.67 -4.57 0.99 0.00 -1.02 -4.84 117.00 110.13 13pk n LEU 369 Ca -0.01 1.06 -0.43 0.00 0.00 0.00 0.00 56.01 56.63 13pk n LEU 369 Cb 0.18 -1.28 -0.04 0.00 0.00 0.00 0.00 43.42 42.29 13pk n LEU 369 CO 0.01 -0.43 0.79 -0.32 0.00 0.00 0.00 177.39 177.45 13pk s MET 370 N 2.43 3.60 -0.09 1.96 -2.45 -0.34 -3.78 119.30 120.63 13pk s MET 370 Ca 0.89 0.27 0.00 0.00 -1.25 0.00 0.00 55.69 55.61 13pk s MET 370 Cb -0.85 -3.91 -0.03 0.00 1.25 0.00 0.00 34.83 31.29 13pk s MET 370 CO 0.51 -1.22 -0.08 -1.54 1.05 0.00 0.00 175.02 173.75 13pk s SER 371 N 2.25 4.49 -0.08 1.11 1.04 -1.26 -0.93 113.70 120.33 13pk s SER 371 Ca 0.39 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.70 13pk s SER 371 Cb -0.10 -1.32 0.02 0.00 0.10 0.00 0.00 66.02 64.72 13pk s SER 371 CO 0.26 0.29 -0.06 -0.63 0.98 0.00 0.00 173.24 174.08 13pk s ILE 372 N -0.37 0.79 -0.07 -1.02 1.01 -0.45 -1.15 121.20 119.94 13pk s ILE 372 Ca 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.53 13pk s ILE 372 Cb -0.12 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 13pk s ILE 372 CO 0.02 0.31 -0.15 -0.63 0.00 0.00 0.00 174.94 174.50 13pk s ILE 373 N 1.40 2.98 0.06 2.92 1.01 -0.72 -0.06 121.20 128.78 13pk s ILE 373 Ca -0.02 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.91 13pk s ILE 373 Cb -0.13 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 13pk s ILE 373 CO -0.04 0.57 -0.06 -0.83 0.00 0.00 0.00 174.94 174.59 13pk s GLY 374 N -0.35 0.53 0.00 6.18 0.00 -0.22 0.21 107.32 113.67 13pk s GLY 374 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.77 13pk s GLY 374 CO 0.02 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.67 13pk n GLY 375 N 0.80 2.75 0.17 0.20 0.00 -1.01 -4.09 105.19 104.01 13pk n GLY 375 Ca -0.18 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.35 1.32 -0.02 0.00 -1.88 -0.69 103.07 101.45 13pk h GLY 376 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.34 13pk h GLY 376 CO 0.00 -0.13 -0.24 -0.55 0.00 0.00 0.00 176.54 175.62 13pk h ASP 377 N -0.53 0.79 -0.08 0.19 3.32 -1.95 -2.32 116.42 115.86 13pk h ASP 377 Ca -0.03 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.72 13pk h ASP 377 Cb 0.39 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 13pk h ASP 377 CO 0.06 1.01 0.05 0.28 -1.72 0.00 0.00 179.24 178.91 13pk h SER 378 N 0.67 0.08 -0.80 6.45 0.02 -1.77 -0.98 113.55 117.22 13pk h SER 378 Ca 0.09 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 13pk h SER 378 Cb 0.76 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 13pk h SER 378 CO 0.06 0.06 0.52 0.00 -1.14 0.00 0.00 176.83 176.33 13pk h ALA 379 N 1.03 1.59 -0.14 3.77 0.00 -0.98 -0.92 119.26 123.61 13pk h ALA 379 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 13pk h ALA 379 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 13pk h ALA 379 CO -0.01 0.30 0.05 0.77 0.00 0.00 0.00 179.25 180.36 13pk h SER 380 N 0.90 0.20 -0.36 0.00 0.02 -0.83 -1.03 113.55 112.45 13pk h SER 380 Ca 0.33 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 13pk h SER 380 Cb 0.17 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 13pk h SER 380 CO -0.11 0.32 0.22 0.00 -1.14 0.00 0.00 176.83 176.12 13pk h ALA 381 N 0.89 0.45 -0.85 3.77 0.00 -0.48 0.12 119.26 123.16 13pk h ALA 381 Ca 0.05 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.02 13pk h ALA 381 Cb 0.19 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 13pk h ALA 381 CO -0.00 -0.12 0.51 0.00 0.00 0.00 0.00 179.25 179.64 13pk h ALA 382 N 1.15 1.18 -0.08 0.00 0.00 -1.06 -0.86 119.26 119.58 13pk h ALA 382 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 13pk h ALA 382 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 13pk h ALA 382 CO -0.05 0.22 -0.60 0.93 0.00 0.00 0.00 179.25 179.75 13pk h GLU 383 N 0.91 0.27 -0.48 0.00 5.08 -0.46 -0.14 114.58 119.77 13pk h GLU 383 Ca 0.38 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 13pk h GLU 383 Cb 0.23 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 13pk h GLU 383 CO -0.20 0.78 -0.12 1.25 -1.00 0.00 0.00 179.01 179.73 13pk h LEU 384 N 0.20 0.94 -0.48 1.33 5.85 -0.01 -2.93 115.31 120.22 13pk h LEU 384 Ca -0.00 -0.36 -0.14 0.00 0.84 0.00 0.00 57.88 58.21 13pk h LEU 384 Cb 1.10 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 13pk h LEU 384 CO 0.09 1.09 -0.69 0.77 -0.34 0.00 0.00 178.44 179.36 13pk h SER 385 N 0.78 0.00 0.00 1.25 4.64 -1.11 -3.47 113.55 115.65 13pk h SER 385 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 13pk h SER 385 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 13pk h SER 385 CO 0.05 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 13pk n GLY 386 N 0.69 0.67 0.00 -0.77 0.00 -0.14 -4.91 105.19 100.72 13pk n GLY 386 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 0.06 -0.17 1.61 -0.58 -0.71 -3.81 120.64 115.04 13pk n GLU 387 Ca 0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.75 13pk n GLU 387 Cb 0.00 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.45 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 3.02 0.56 0.00 0.62 0.00 -1.69 -0.22 119.26 121.56 13pk h ALA 388 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 13pk h ALA 388 Cb 0.45 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 13pk h ALA 388 CO 0.00 -0.34 -0.19 1.57 0.00 0.00 0.00 179.25 180.28 13pk h LYS 389 N 0.19 0.00 -0.01 0.00 2.10 -1.87 -2.92 116.57 114.05 13pk h LYS 389 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 13pk h LYS 389 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 13pk h LYS 389 CO -0.39 0.19 -0.08 0.54 -2.00 0.00 0.00 179.45 177.71 13pk n ARG 390 N -3.68 0.96 -2.08 0.07 1.74 -0.11 -4.88 116.66 108.68 13pk n ARG 390 Ca -0.01 -0.37 -0.28 0.00 -0.77 0.00 0.00 57.85 56.42 13pk n ARG 390 Cb 0.31 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.32 13pk n ARG 390 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 13pk s MET 391 N -2.29 2.44 0.22 5.56 -1.94 -1.09 -4.28 119.30 117.91 13pk s MET 391 Ca 0.34 0.07 0.12 0.00 -1.71 0.00 0.00 55.69 54.51 13pk s MET 391 Cb 0.20 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 13pk s MET 391 CO 0.43 -1.18 1.37 0.77 -0.01 0.00 0.00 175.02 176.40 13pk h SER 392 N -0.65 0.00 -3.11 3.03 0.02 -1.45 -3.46 113.55 107.92 13pk h SER 392 Ca -0.45 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.56 13pk h SER 392 Cb 1.29 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.57 13pk h SER 392 CO 0.63 0.68 0.43 -2.28 -1.14 0.00 0.00 176.83 175.15 13pk s HIS 393 N -2.87 -0.51 -0.28 3.45 2.46 -0.47 -4.97 115.29 112.10 13pk s HIS 393 Ca 0.03 1.20 0.02 0.00 0.47 0.00 0.00 55.06 56.78 13pk s HIS 393 Cb 0.08 0.37 0.08 0.00 -0.13 0.00 0.00 32.58 32.98 13pk s HIS 393 CO 0.77 -0.25 -0.02 0.54 -2.47 0.00 0.00 174.74 173.32 13pk s VAL 394 N 0.43 1.88 0.35 0.89 0.11 -1.26 -1.76 120.40 121.04 13pk s VAL 394 Ca 0.01 -1.73 -0.22 0.00 -2.93 0.00 0.00 61.98 57.11 13pk s VAL 394 Cb -0.05 -2.21 -0.10 0.00 -1.53 0.00 0.00 36.38 32.49 13pk s VAL 394 CO -0.08 -0.31 0.90 -0.55 -3.33 0.00 0.00 175.10 171.73 13pk s SER 395 N 1.17 7.09 0.00 3.54 0.15 0.13 -4.95 113.70 120.83 13pk s SER 395 Ca 0.01 1.67 0.30 0.00 0.70 0.00 0.00 55.95 58.63 13pk s SER 395 Cb -0.19 -2.52 1.51 0.00 -1.71 0.00 0.00 66.02 63.11 13pk s SER 395 CO -0.09 -0.19 2.02 0.35 1.20 0.00 0.00 173.24 176.54 13pk n THR 396 N 0.00 0.00 -4.36 6.45 -2.24 -1.26 -3.02 114.28 109.85 13pk n THR 396 Ca 0.04 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 13pk n THR 396 Cb 0.52 -0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.24 1.76 0.00 3.38 0.00 -1.26 -4.49 107.32 104.47 13pk s GLY 397 Ca 0.37 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.28 13pk s GLY 397 CO 0.41 -0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.95 13pk n GLY 398 N 3.22 -0.26 0.36 0.20 0.00 -1.26 -2.41 105.19 105.04 13pk n GLY 398 Ca -0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.02 13pk n GLY 398 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 13pk h GLY 399 N 0.00 0.12 0.83 -0.02 0.00 -1.91 0.22 103.07 102.31 13pk h GLY 399 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 13pk h GLY 399 CO 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 176.54 176.43 13pk h ALA 400 N 1.76 -0.36 -0.10 3.60 0.00 -1.83 0.37 119.26 122.71 13pk h ALA 400 Ca 0.23 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.03 13pk h ALA 400 Cb 0.79 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 13pk h ALA 400 CO -0.02 -0.61 0.11 0.77 0.00 0.00 0.00 179.25 179.49 13pk h SER 401 N -0.54 0.00 0.18 0.00 0.02 -0.75 -1.04 113.55 111.43 13pk h SER 401 Ca -0.04 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.58 13pk h SER 401 Cb 0.40 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.95 13pk h SER 401 CO 0.06 0.00 -1.63 -0.07 -1.14 0.00 0.00 176.83 174.05 13pk h LEU 402 N 0.00 0.61 -0.65 5.07 3.38 -0.61 -3.34 115.31 119.76 13pk h LEU 402 Ca 0.05 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.07 13pk h LEU 402 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 13pk h LEU 402 CO -0.00 1.74 0.34 -0.08 0.09 0.00 0.00 178.44 180.53 13pk h GLU 403 N 0.03 0.92 -0.11 1.13 4.81 0.34 -1.71 114.58 119.99 13pk h GLU 403 Ca -0.32 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 58.82 13pk h GLU 403 Cb 2.04 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 31.24 13pk h GLU 403 CO 0.17 0.71 0.42 1.25 -0.73 0.00 0.00 179.01 180.83 13pk h LEU 404 N 0.89 0.00 -0.61 1.64 5.85 -1.33 0.12 115.31 121.87 13pk h LEU 404 Ca 0.23 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.83 13pk h LEU 404 Cb 0.07 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 13pk h LEU 404 CO -0.03 0.00 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.82 13pk h LEU 405 N 0.00 0.92 -1.42 2.25 4.07 -1.43 -2.74 115.31 116.98 13pk h LEU 405 Ca 0.05 -0.32 0.04 0.00 0.08 0.00 0.00 57.88 57.73 13pk h LEU 405 Cb 0.88 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 13pk h LEU 405 CO -0.00 1.08 0.58 -0.08 -1.08 0.00 0.00 178.44 178.94 13pk h GLU 406 N 0.80 0.00 0.00 1.13 4.81 -0.75 -3.44 114.58 117.13 13pk h GLU 406 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 13pk h GLU 406 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 13pk h GLU 406 CO 0.06 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.75 13pk n GLY 407 N -1.36 1.72 3.78 1.92 0.00 -1.03 -4.99 105.19 105.22 13pk n GLY 407 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.84 3.22 -0.35 1.61 0.00 -1.26 -5.00 119.74 117.12 13pk s LYS 408 Ca 0.00 1.38 -0.22 0.00 0.00 0.00 0.00 55.97 57.13 13pk s LYS 408 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 37.83 35.83 13pk s LYS 408 CO 0.00 -0.92 0.71 0.95 0.00 0.00 0.00 175.35 176.09 13pk s THR 409 N -2.20 4.82 0.03 3.79 -4.23 -1.26 -4.78 115.64 111.81 13pk s THR 409 Ca 0.67 0.77 -0.39 0.00 -1.18 0.00 0.00 61.69 61.57 13pk s THR 409 Cb -0.19 -4.13 -0.19 0.00 1.34 0.00 0.00 72.50 69.33 13pk s THR 409 CO 0.34 -0.34 1.17 0.18 -0.54 0.00 0.00 174.62 175.43 13pk n LEU 410 N 6.19 0.59 -0.30 4.79 4.77 -1.26 -4.62 117.00 127.16 13pk n LEU 410 Ca 0.01 1.15 0.08 0.00 -0.03 0.00 0.00 56.01 57.21 13pk n LEU 410 Cb 0.48 -1.02 0.29 0.00 -2.33 0.00 0.00 43.42 40.84 13pk n LEU 410 CO 0.51 -1.59 1.23 1.55 -1.33 0.00 0.00 177.39 177.76 13pk h PRO 411 N 3.57 0.88 -0.33 3.23 0.13 -1.78 0.48 132.00 138.18 13pk h PRO 411 Ca -0.50 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 13pk h PRO 411 Cb 1.40 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 13pk h PRO 411 CO 0.70 0.58 0.02 0.78 -0.23 0.00 0.00 178.00 179.85 13pk h GLY 412 N 0.90 0.53 0.14 1.56 0.00 -0.56 0.24 103.07 105.88 13pk h GLY 412 Ca 0.44 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 13pk h GLY 412 CO -0.20 0.28 -0.00 -2.08 0.00 0.00 0.00 176.54 174.53 13pk h VAL 413 N 0.48 1.58 -0.64 4.60 2.07 -1.22 -3.33 116.25 119.78 13pk h VAL 413 Ca 0.11 -1.95 0.13 0.00 0.82 0.00 0.00 66.70 65.80 13pk h VAL 413 Cb 0.28 2.87 -0.10 0.00 -1.52 0.00 0.00 31.29 32.82 13pk h VAL 413 CO 0.01 0.49 0.08 0.74 0.02 0.00 0.00 177.57 178.90 13pk h THR 414 N -0.88 0.54 -0.01 2.57 2.02 0.25 0.41 112.91 117.81 13pk h THR 414 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 13pk h THR 414 Cb 0.82 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 13pk h THR 414 CO 0.00 0.03 0.13 1.62 0.37 0.00 0.00 175.52 177.67 13pk h VAL 415 N 0.19 0.05 -4.09 3.16 3.04 -0.64 -3.43 116.25 114.53 13pk h VAL 415 Ca 0.34 0.00 -0.50 0.00 -1.01 0.00 0.00 66.70 65.53 13pk h VAL 415 Cb 0.55 0.88 0.08 0.00 -2.01 0.00 0.00 31.29 30.79 13pk h VAL 415 CO -0.49 0.00 0.44 -0.76 -1.01 0.00 0.00 177.57 175.75 13pk s LEU 416 N -6.18 3.75 -0.41 3.16 1.43 0.13 -4.87 118.68 115.69 13pk s LEU 416 Ca -0.04 2.20 -0.27 0.00 -1.03 0.00 0.00 54.13 54.98 13pk s LEU 416 Cb 0.12 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 13pk s LEU 416 CO 0.38 -1.25 1.96 -1.81 0.23 0.00 0.00 176.35 175.87 13pk s ASP 417 N -1.75 5.45 -1.12 2.29 1.01 -0.16 -4.89 116.67 117.51 13pk s ASP 417 Ca 0.73 1.09 -0.21 0.00 0.71 0.00 0.00 52.55 54.87 13pk s ASP 417 Cb -0.24 -2.52 0.05 0.00 1.01 0.00 0.00 42.92 41.21 13pk s ASP 417 CO 0.27 -2.10 1.59 1.51 0.21 0.00 0.00 175.17 176.66 13pk s ASP 418 N 7.83 6.50 0.00 0.27 -4.77 -1.26 -0.35 116.67 124.89 13pk s ASP 418 Ca 0.82 -1.77 0.00 0.00 -3.30 0.00 0.00 52.55 48.30 13pk s ASP 418 Cb -0.20 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.05 13pk s ASP 418 CO 0.29 -1.51 0.43 0.29 0.70 0.00 0.00 175.17 175.37