#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2p s HIS 2 N 0.00 3.48 0.29 4.41 0.09 -1.26 -1.66 115.29 120.63 1c2p s HIS 2 Ca 0.00 1.69 -0.02 0.00 -0.00 0.00 0.00 55.06 56.73 1c2p s HIS 2 Cb 0.00 -2.89 0.40 0.00 -0.00 0.00 0.00 32.58 30.09 1c2p s HIS 2 CO 0.00 0.01 1.91 0.66 -0.00 0.00 0.00 174.74 177.32 1c2p h SER 3 N 2.51 0.91 -5.09 1.40 4.64 -0.79 -3.42 113.55 113.71 1c2p h SER 3 Ca -0.48 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 60.66 1c2p h SER 3 Cb 1.19 -0.23 -0.17 0.00 -0.31 0.00 0.00 62.40 62.88 1c2p h SER 3 CO 0.63 0.74 -0.38 -0.31 -0.87 0.00 0.00 176.83 176.64 1c2p s TYR 4 N -5.68 0.06 0.01 4.77 2.02 -1.26 -0.73 117.35 116.54 1c2p s TYR 4 Ca -0.11 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 1c2p s TYR 4 Cb 0.17 -0.03 -0.02 0.00 -0.40 0.00 0.00 41.96 41.69 1c2p s TYR 4 CO 0.80 -0.46 -0.16 0.95 -1.57 0.00 0.00 175.55 175.12 1c2p s THR 5 N -2.82 1.24 0.13 -0.71 -4.23 -0.73 -4.84 115.64 103.69 1c2p s THR 5 Ca -0.03 -0.81 0.09 0.00 -1.18 0.00 0.00 61.69 59.76 1c2p s THR 5 Cb 0.00 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 1c2p s THR 5 CO -0.05 0.24 -0.21 0.26 -0.54 0.00 0.00 174.62 174.31 1c2p s TRP 6 N -0.54 1.93 -0.13 3.99 0.52 -1.26 -0.60 118.94 122.86 1c2p s TRP 6 Ca 0.05 -0.42 0.19 0.00 0.02 0.00 0.00 56.10 55.94 1c2p s TRP 6 Cb -0.07 -1.02 -0.24 0.00 -1.15 0.00 0.00 33.47 31.00 1c2p s TRP 6 CO 0.00 0.29 0.44 0.25 0.02 0.00 0.00 176.95 177.94 1c2p n THR 7 N 0.78 0.93 0.00 2.01 -2.24 -0.35 -4.92 114.28 110.49 1c2p n THR 7 Ca -0.17 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1c2p n THR 7 Cb 0.55 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1c2p n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c2p n GLY 8 N 1.49 2.22 3.73 3.38 0.00 -1.26 -5.08 105.19 109.68 1c2p n GLY 8 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1c2p n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2p n ALA 9 N -0.52 1.44 -1.98 4.61 0.00 -1.26 -4.96 120.51 117.84 1c2p n ALA 9 Ca 0.00 0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 1c2p n ALA 9 Cb 0.00 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.07 1c2p n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1c2p s LEU 10 N -3.23 3.91 -0.39 0.00 1.43 -1.26 -4.82 118.68 114.32 1c2p s LEU 10 Ca 0.72 1.46 -0.25 0.00 -1.03 0.00 0.00 54.13 55.02 1c2p s LEU 10 Cb -0.42 -4.31 0.02 0.00 0.03 0.00 0.00 46.19 41.50 1c2p s LEU 10 CO 0.49 -0.36 0.89 -0.63 0.23 0.00 0.00 176.35 176.98 1c2p s ILE 11 N -2.23 4.59 0.13 -0.59 1.01 -1.26 -4.81 121.20 118.05 1c2p s ILE 11 Ca 0.57 1.03 0.02 0.00 0.00 0.00 0.00 60.65 62.27 1c2p s ILE 11 Cb -0.10 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1c2p s ILE 11 CO 0.20 -0.58 0.27 0.42 0.00 0.00 0.00 174.94 175.25 1c2p s THR 12 N 3.45 5.33 0.70 2.92 -4.23 -1.26 -4.89 115.64 117.66 1c2p s THR 12 Ca 0.36 -0.63 -0.11 0.00 -1.18 0.00 0.00 61.69 60.13 1c2p s THR 12 Cb -0.12 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 70.02 1c2p s THR 12 CO 0.20 -0.04 1.08 -2.16 -0.54 0.00 0.00 174.62 173.16 1c2p s PRO 13 N -3.08 2.88 0.03 3.99 0.04 -1.26 -4.39 135.00 133.21 1c2p s PRO 13 Ca 0.35 0.58 0.22 0.00 0.04 0.00 0.00 61.00 62.19 1c2p s PRO 13 Cb -0.11 -2.01 -0.19 0.00 0.04 0.00 0.00 34.50 32.22 1c2p s PRO 13 CO 0.28 -1.05 0.74 0.00 0.04 0.00 0.00 177.00 177.02 1c2p n ALA 15 N -2.05 -1.14 -1.78 0.00 0.00 -1.26 -5.14 120.51 109.14 1c2p n ALA 15 Ca -0.01 -0.46 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 1c2p n ALA 15 Cb 0.51 0.27 -0.01 0.00 0.00 0.00 0.00 19.45 20.21 1c2p n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c2p s ALA 16 N -1.46 3.64 0.01 0.00 0.00 -1.26 -5.01 121.76 117.69 1c2p s ALA 16 Ca 0.10 1.53 0.08 0.00 0.00 0.00 0.00 51.96 53.67 1c2p s ALA 16 Cb -0.01 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1c2p s ALA 16 CO 0.03 -0.97 -0.25 -1.21 0.00 0.00 0.00 175.76 173.36 1c2p s GLU 17 N -1.29 1.88 -0.06 0.00 2.02 -1.26 -5.13 118.70 114.86 1c2p s GLU 17 Ca 0.57 -0.96 0.03 0.00 0.02 0.00 0.00 54.97 54.63 1c2p s GLU 17 Cb -0.46 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 1c2p s GLU 17 CO 0.55 0.51 -0.13 -1.21 0.02 0.00 0.00 175.26 175.00 1c2p s GLU 18 N -0.84 2.63 -0.09 1.61 2.02 -1.26 -5.01 118.70 117.75 1c2p s GLU 18 Ca 0.10 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.48 1c2p s GLU 18 Cb -0.10 -2.45 -0.09 0.00 0.10 0.00 0.00 34.13 31.60 1c2p s GLU 18 CO 0.00 0.60 -0.02 -1.13 0.02 0.00 0.00 175.26 174.73 1c2p n SER 19 N 2.39 3.00 -4.78 -0.19 3.41 -1.26 -4.59 113.62 111.60 1c2p n SER 19 Ca -0.17 -0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.04 1c2p n SER 19 Cb 0.52 0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 64.79 1c2p n SER 19 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1c2p s LYS 20 N -2.21 4.58 0.02 4.33 0.00 -1.26 -0.92 119.74 124.28 1c2p s LYS 20 Ca -0.08 1.24 -0.30 0.00 0.00 0.00 0.00 55.97 56.83 1c2p s LYS 20 Cb 0.03 -3.01 -0.09 0.00 0.00 0.00 0.00 37.83 34.76 1c2p s LYS 20 CO 0.31 0.41 1.99 -0.11 0.00 0.00 0.00 175.35 177.95 1c2p n LEU 21 N 0.99 4.10 -4.77 2.77 7.94 -1.26 -4.90 117.00 121.88 1c2p n LEU 21 Ca -0.01 0.86 -0.38 0.00 -1.11 0.00 0.00 56.01 55.37 1c2p n LEU 21 Cb 0.49 -1.52 -0.00 0.00 0.53 0.00 0.00 43.42 42.92 1c2p n LEU 21 CO 0.46 0.15 0.88 -2.84 -1.11 0.00 0.00 177.39 174.92 1c2p s PRO 22 N 4.57 3.74 -0.07 1.96 0.02 -1.26 -5.03 135.00 138.93 1c2p s PRO 22 Ca 0.90 1.92 0.04 0.00 0.02 0.00 0.00 61.00 63.88 1c2p s PRO 22 Cb -0.44 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 31.60 1c2p s PRO 22 CO 0.42 -0.61 -0.20 0.42 -0.33 0.00 0.00 177.00 176.71 1c2p s ILE 23 N -1.44 1.68 0.00 2.83 -1.09 -1.26 -4.75 121.20 117.18 1c2p s ILE 23 Ca 0.63 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 1c2p s ILE 23 Cb -0.32 -1.46 0.00 0.00 -1.58 0.00 0.00 42.46 39.10 1c2p s ILE 23 CO 0.40 0.48 0.00 -0.46 -1.23 0.00 0.00 174.94 174.12 1c2p n ASN 24 N 3.42 0.88 0.26 3.58 6.94 -1.26 -5.02 115.26 124.05 1c2p n ASN 24 Ca -0.20 -0.71 0.14 0.00 -0.02 0.00 0.00 54.58 53.80 1c2p n ASN 24 Cb 0.52 0.00 0.67 0.00 -2.36 0.00 0.00 39.78 38.62 1c2p n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1c2p h ALA 25 N 1.00 1.08 0.00 -2.53 0.00 -2.00 -3.11 119.26 113.70 1c2p h ALA 25 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1c2p h ALA 25 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1c2p h ALA 25 CO 0.00 0.13 -0.83 -0.07 0.00 0.00 0.00 179.25 178.48 1c2p h LEU 26 N 0.00 0.00 -0.27 0.00 3.38 -1.96 -3.42 115.31 113.04 1c2p h LEU 26 Ca -0.00 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1c2p h LEU 26 Cb 0.50 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1c2p h LEU 26 CO 0.01 0.02 -0.49 0.28 0.09 0.00 0.00 178.44 178.35 1c2p h SER 27 N 0.00 -1.61 0.08 -0.43 0.02 -1.88 -2.65 113.55 107.09 1c2p h SER 27 Ca 0.00 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1c2p h SER 27 Cb 0.96 0.65 0.00 0.00 0.14 0.00 0.00 62.40 64.15 1c2p h SER 27 CO 0.00 -0.39 0.00 0.78 -1.14 0.00 0.00 176.83 176.08 1c2p h ASN 28 N -0.42 0.00 0.99 3.07 2.35 -1.81 -0.29 115.58 119.47 1c2p h ASN 28 Ca 0.05 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1c2p h ASN 28 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1c2p h ASN 28 CO -0.47 0.00 -0.28 0.77 -1.65 0.00 0.00 177.43 175.79 1c2p h SER 29 N 0.00 0.00 0.00 5.81 4.64 -1.77 -3.36 113.55 118.87 1c2p h SER 29 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 1c2p h SER 29 Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 1c2p h SER 29 CO 0.00 0.28 -2.29 -0.11 -0.87 0.00 0.00 176.83 173.84 1c2p n LEU 30 N -3.40 1.70 -3.77 5.97 7.94 -0.21 -4.64 117.00 120.60 1c2p n LEU 30 Ca 0.00 0.29 -0.13 0.00 -1.11 0.00 0.00 56.01 55.06 1c2p n LEU 30 Cb 0.48 -0.71 -0.14 0.00 0.53 0.00 0.00 43.42 43.58 1c2p n LEU 30 CO 0.35 0.47 -0.23 -0.22 -1.11 0.00 0.00 177.39 176.64 1c2p s LEU 31 N -7.33 0.92 -0.19 -1.96 0.20 -0.68 -4.08 118.68 105.57 1c2p s LEU 31 Ca -0.33 0.27 0.17 0.00 0.69 0.00 0.00 54.13 54.93 1c2p s LEU 31 Cb 0.13 0.35 -0.23 0.00 -0.43 0.00 0.00 46.19 46.00 1c2p s LEU 31 CO 0.42 -0.12 0.07 0.54 -0.29 0.00 0.00 176.35 176.96 1c2p n ARG 32 N 3.95 0.90 -1.72 1.98 1.74 -0.48 -4.04 116.66 118.99 1c2p n ARG 32 Ca -0.24 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.43 1c2p n ARG 32 Cb 0.53 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.47 1c2p n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1c2p n HIS 33 N -2.70 2.99 -0.22 -1.55 8.25 -0.92 -4.75 115.22 116.31 1c2p n HIS 33 Ca -0.31 -2.97 0.19 0.00 -0.26 0.00 0.00 57.72 54.37 1c2p n HIS 33 Cb 1.12 -2.37 0.53 0.00 1.12 0.00 0.00 29.99 30.39 1c2p n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1c2p h HIS 34 N 5.49 0.48 0.00 4.41 3.86 -1.85 -3.37 115.15 124.17 1c2p h HIS 34 Ca 0.66 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.83 1c2p h HIS 34 Cb 0.49 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1c2p h HIS 34 CO 1.58 0.14 0.13 0.09 0.86 0.00 0.00 177.93 180.72 1c2p n ASN 35 N -4.49 1.98 0.00 2.45 4.13 -1.26 -4.63 115.26 113.44 1c2p n ASN 35 Ca 0.18 -1.78 0.00 0.00 1.68 0.00 0.00 54.58 54.66 1c2p n ASN 35 Cb 0.69 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 1c2p n ASN 35 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1c2p n VAL 37 N 2.56 0.00 -3.79 2.41 0.31 -1.26 -4.92 118.33 113.65 1c2p n VAL 37 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.35 1c2p n VAL 37 Cb 0.31 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.18 1c2p n VAL 37 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1c2p s TYR 38 N 0.00 0.05 -0.01 3.52 1.13 -0.91 -3.98 117.35 117.16 1c2p s TYR 38 Ca 0.00 -0.40 0.08 0.00 -1.41 0.00 0.00 57.07 55.34 1c2p s TYR 38 Cb 0.00 0.16 -0.02 0.00 -1.10 0.00 0.00 41.96 41.00 1c2p s TYR 38 CO 0.00 -0.74 -0.26 0.00 -2.51 0.00 0.00 175.55 172.04 1c2p s ALA 39 N -3.88 2.15 0.62 9.51 0.00 -0.10 -1.42 121.76 128.64 1c2p s ALA 39 Ca 0.09 -1.13 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 1c2p s ALA 39 Cb 0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1c2p s ALA 39 CO -0.06 0.52 1.06 0.95 0.00 0.00 0.00 175.76 178.24 1c2p s THR 40 N -0.64 3.80 0.24 0.00 -4.23 0.69 -4.47 115.64 111.02 1c2p s THR 40 Ca 0.10 0.80 -0.06 0.00 -1.18 0.00 0.00 61.69 61.35 1c2p s THR 40 Cb -0.10 -3.35 -0.02 0.00 1.34 0.00 0.00 72.50 70.37 1c2p s THR 40 CO -0.00 -0.55 0.31 0.28 -0.54 0.00 0.00 174.62 174.11 1c2p s THR 41 N -2.55 0.00 -0.49 3.99 -1.32 -1.26 -3.92 115.64 110.08 1c2p s THR 41 Ca 0.63 -1.72 0.17 0.00 -1.21 0.00 0.00 61.69 59.55 1c2p s THR 41 Cb -0.16 -2.39 0.17 0.00 -1.51 0.00 0.00 72.50 68.61 1c2p s THR 41 CO 0.41 0.00 1.52 -1.54 -2.21 0.00 0.00 174.62 172.79 1c2p n SER 42 N -0.47 0.42 0.30 8.08 3.41 -1.26 -2.29 113.62 121.82 1c2p n SER 42 Ca 0.01 0.67 0.18 0.00 -0.26 0.00 0.00 58.87 59.46 1c2p n SER 42 Cb 0.64 -0.73 0.97 0.00 -0.26 0.00 0.00 64.21 64.82 1c2p n SER 42 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1c2p h ARG 43 N 0.00 0.00 -0.21 4.33 3.08 -1.95 -2.47 114.38 117.15 1c2p h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1c2p h ARG 43 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1c2p h ARG 43 CO 0.00 0.03 0.00 -1.13 -1.07 0.00 0.00 179.97 177.80 1c2p n SER 44 N -3.43 2.85 -0.35 7.04 3.41 -0.97 -4.61 113.62 117.55 1c2p n SER 44 Ca -0.02 -1.84 0.12 0.00 -0.26 0.00 0.00 58.87 56.87 1c2p n SER 44 Cb 0.14 -0.13 0.31 0.00 -0.26 0.00 0.00 64.21 64.27 1c2p n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c2p h ALA 45 N 3.43 1.66 -0.80 7.33 0.00 -1.59 -1.05 119.26 128.24 1c2p h ALA 45 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1c2p h ALA 45 Cb 0.79 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1c2p h ALA 45 CO 0.00 -0.01 0.52 0.78 0.00 0.00 0.00 179.25 180.54 1c2p h GLY 46 N 0.80 1.09 1.03 0.00 0.00 -1.81 0.15 103.07 104.34 1c2p h GLY 46 Ca 0.56 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 1c2p h GLY 46 CO -0.36 0.23 -0.25 -2.00 0.00 0.00 0.00 176.54 174.17 1c2p h LEU 47 N 0.83 0.87 -0.56 3.11 6.46 -1.54 -2.43 115.31 122.05 1c2p h LEU 47 Ca 0.35 -0.43 -0.07 0.00 -0.12 0.00 0.00 57.88 57.61 1c2p h LEU 47 Cb 0.29 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 1c2p h LEU 47 CO -0.13 1.11 0.08 -0.09 -0.62 0.00 0.00 178.44 178.80 1c2p h ARG 48 N 0.63 0.93 -0.67 1.25 9.65 -1.12 -2.21 114.38 122.84 1c2p h ARG 48 Ca 0.07 -0.25 0.12 0.00 -1.10 0.00 0.00 59.98 58.82 1c2p h ARG 48 Cb 0.82 -0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 29.20 1c2p h ARG 48 CO 0.07 0.90 0.21 1.96 2.80 0.00 0.00 179.97 185.90 1c2p h GLN 49 N 0.82 0.34 0.20 0.20 4.20 -0.58 -0.62 115.11 119.66 1c2p h GLN 49 Ca 0.17 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1c2p h GLN 49 Cb 0.43 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1c2p h GLN 49 CO 0.01 0.22 -0.19 0.87 -0.67 0.00 0.00 178.83 179.08 1c2p h LYS 50 N 0.35 -0.40 -0.80 1.46 6.56 -1.01 -2.93 116.57 119.80 1c2p h LYS 50 Ca 0.36 0.03 0.04 0.00 -1.06 0.00 0.00 60.65 60.02 1c2p h LYS 50 Cb 0.53 0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 32.23 1c2p h LYS 50 CO -0.40 -0.26 0.52 0.87 -2.06 0.00 0.00 179.45 178.12 1c2p h LYS 51 N -0.41 0.92 -0.06 3.15 1.57 -0.66 -2.68 116.57 118.39 1c2p h LYS 51 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1c2p h LYS 51 Cb 0.38 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1c2p h LYS 51 CO -0.04 0.61 0.00 1.33 -0.57 0.00 0.00 179.45 180.78 1c2p n VAL 52 N -4.46 0.07 -3.62 0.50 0.24 -0.35 -4.81 118.33 105.90 1c2p n VAL 52 Ca 0.11 -0.25 -0.40 0.00 -2.04 0.00 0.00 64.34 61.76 1c2p n VAL 52 Cb 0.15 0.35 -0.11 0.00 -1.47 0.00 0.00 33.84 32.75 1c2p n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1c2p s THR 53 N -1.93 4.68 0.26 3.34 2.01 -1.01 -4.70 115.64 118.29 1c2p s THR 53 Ca 0.37 -0.55 -0.22 0.00 0.31 0.00 0.00 61.69 61.60 1c2p s THR 53 Cb 0.20 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 69.27 1c2p s THR 53 CO 0.31 -0.05 0.79 0.72 -0.69 0.00 0.00 174.62 175.70 1c2p s PHE 54 N 1.61 -0.14 -0.00 4.92 -0.12 -1.26 -4.96 117.98 118.02 1c2p s PHE 54 Ca 0.04 -0.30 -0.16 0.00 -0.05 0.00 0.00 56.93 56.46 1c2p s PHE 54 Cb -0.18 0.70 -0.06 0.00 -0.63 0.00 0.00 43.02 42.86 1c2p s PHE 54 CO 0.07 -1.16 0.46 0.34 -0.05 0.00 0.00 175.22 174.88 1c2p s ASP 55 N -2.95 6.86 -0.08 1.98 2.15 -1.26 -0.08 116.67 123.29 1c2p s ASP 55 Ca 0.12 1.02 0.02 0.00 0.43 0.00 0.00 52.55 54.13 1c2p s ASP 55 Cb -0.05 -2.28 -0.03 0.00 -0.30 0.00 0.00 42.92 40.26 1c2p s ASP 55 CO 0.06 0.26 -0.11 -0.13 -0.17 0.00 0.00 175.17 175.08 1c2p s ARG 56 N -0.81 2.80 -0.02 4.34 3.00 -0.67 -4.96 118.95 122.63 1c2p s ARG 56 Ca 0.25 -0.64 0.04 0.00 0.00 0.00 0.00 55.73 55.39 1c2p s ARG 56 Cb -0.17 -2.52 -0.01 0.00 0.00 0.00 0.00 34.95 32.25 1c2p s ARG 56 CO 0.14 0.54 -0.15 -0.51 0.00 0.00 0.00 175.30 175.32 1c2p s LEU 57 N -0.49 1.95 -0.05 2.53 1.02 -1.26 -4.86 118.68 117.51 1c2p s LEU 57 Ca 0.07 -0.29 0.02 0.00 0.02 0.00 0.00 54.13 53.95 1c2p s LEU 57 Cb -0.12 -0.81 0.02 0.00 0.02 0.00 0.00 46.19 45.30 1c2p s LEU 57 CO 0.02 0.16 -0.08 -1.10 0.02 0.00 0.00 176.35 175.36 1c2p s GLN 58 N -0.15 1.26 -0.31 1.70 -0.21 -1.26 -4.10 119.66 116.59 1c2p s GLN 58 Ca 0.01 -0.26 0.03 0.00 0.02 0.00 0.00 55.36 55.17 1c2p s GLN 58 Cb -0.08 -1.12 0.09 0.00 1.00 0.00 0.00 33.01 32.90 1c2p s GLN 58 CO 0.00 -0.03 0.01 0.08 -2.12 0.00 0.00 175.29 173.23 1c2p s VAL 59 N 0.80 2.14 -0.27 1.09 1.01 -0.21 -5.03 120.40 119.93 1c2p s VAL 59 Ca -0.13 -2.08 -0.13 0.00 0.00 0.00 0.00 61.98 59.65 1c2p s VAL 59 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1c2p s VAL 59 CO 0.02 -0.45 0.27 -0.76 0.00 0.00 0.00 175.10 174.18 1c2p s LEU 60 N 1.01 4.03 0.00 3.92 1.43 -1.26 -4.44 118.68 123.37 1c2p s LEU 60 Ca 0.05 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1c2p s LEU 60 Cb -0.19 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.81 1c2p s LEU 60 CO -0.08 -0.11 0.30 -0.90 0.23 0.00 0.00 176.35 175.79 1c2p n ASP 61 N 5.17 1.00 -0.25 2.29 5.75 -1.26 -4.97 116.55 124.28 1c2p n ASP 61 Ca -0.11 -1.65 -0.04 0.00 -0.01 0.00 0.00 54.79 52.98 1c2p n ASP 61 Cb 0.51 -0.15 0.12 0.00 -1.03 0.00 0.00 41.12 40.58 1c2p n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1c2p h ASP 62 N 0.08 1.00 -0.85 -1.12 3.32 -1.99 -2.44 116.42 114.42 1c2p h ASP 62 Ca -0.11 -0.14 0.05 0.00 0.02 0.00 0.00 57.03 56.84 1c2p h ASP 62 Cb 0.51 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 1c2p h ASP 62 CO 0.17 0.88 0.53 0.45 -1.72 0.00 0.00 179.24 179.55 1c2p h HIS 63 N 1.08 1.00 -0.04 4.55 3.86 -1.96 0.17 115.15 123.81 1c2p h HIS 63 Ca 0.25 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1c2p h HIS 63 Cb 0.17 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 1c2p h HIS 63 CO 0.02 0.54 0.02 -0.92 0.86 0.00 0.00 177.93 178.45 1c2p h TYR 64 N 1.01 0.05 -0.21 2.45 5.03 -1.77 -1.31 116.97 122.22 1c2p h TYR 64 Ca 0.35 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.55 1c2p h TYR 64 Cb 0.08 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 1c2p h TYR 64 CO -0.03 0.06 -0.36 0.00 -1.32 0.00 0.00 178.16 176.52 1c2p h ARG 65 N 0.02 0.46 -0.20 1.82 3.08 -0.97 -2.17 114.38 116.42 1c2p h ARG 65 Ca 0.01 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1c2p h ARG 65 Cb 0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1c2p h ARG 65 CO -0.00 0.75 0.09 -0.44 -1.07 0.00 0.00 179.97 179.30 1c2p h ASP 66 N 0.39 0.27 -0.33 7.04 3.32 -0.50 -1.38 116.42 125.23 1c2p h ASP 66 Ca 0.04 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1c2p h ASP 66 Cb 0.81 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1c2p h ASP 66 CO 0.07 0.33 0.19 0.58 -1.72 0.00 0.00 179.24 178.68 1c2p h VAL 67 N 0.19 1.13 -0.91 -1.35 2.07 -1.17 -2.46 116.25 113.74 1c2p h VAL 67 Ca 0.07 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1c2p h VAL 67 Cb 0.14 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1c2p h VAL 67 CO -0.01 0.13 0.60 0.25 0.02 0.00 0.00 177.57 178.56 1c2p h LEU 68 N 0.42 0.96 -0.84 2.57 5.85 -1.19 -1.27 115.31 121.81 1c2p h LEU 68 Ca 0.12 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1c2p h LEU 68 Cb 0.05 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1c2p h LEU 68 CO -0.02 0.64 0.11 0.50 -0.34 0.00 0.00 178.44 179.33 1c2p h LYS 69 N 1.10 0.97 -0.34 1.25 3.64 -0.91 -1.50 116.57 120.78 1c2p h LYS 69 Ca 0.38 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1c2p h LYS 69 Cb 0.09 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1c2p h LYS 69 CO -0.13 0.89 0.00 0.39 -2.27 0.00 0.00 179.45 178.34 1c2p n GLU 70 N -4.23 0.10 0.00 1.90 1.02 -0.48 -1.87 120.64 117.07 1c2p n GLU 70 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1c2p n GLU 70 Cb 0.27 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1c2p n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1c2p n LYS 72 N 0.52 0.00 -0.20 3.49 5.02 -0.57 -2.57 118.16 123.85 1c2p n LYS 72 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1c2p n LYS 72 Cb 0.03 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.08 1c2p n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2p h ALA 73 N 0.00 0.74 -0.28 7.82 0.00 -1.64 -0.84 119.26 125.06 1c2p h ALA 73 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1c2p h ALA 73 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1c2p h ALA 73 CO 0.00 0.12 -0.32 0.87 0.00 0.00 0.00 179.25 179.92 1c2p h LYS 74 N 0.73 0.71 -0.64 0.00 1.57 -1.79 -3.02 116.57 114.14 1c2p h LYS 74 Ca 0.22 -0.39 0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1c2p h LYS 74 Cb -0.03 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1c2p h LYS 74 CO -0.08 1.01 0.42 0.00 -0.57 0.00 0.00 179.45 180.23 1c2p h ALA 75 N 0.69 1.93 0.00 3.86 0.00 -1.78 -0.34 119.26 123.63 1c2p h ALA 75 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1c2p h ALA 75 Cb 0.89 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1c2p h ALA 75 CO 0.08 -0.06 0.00 0.43 0.00 0.00 0.00 179.25 179.69 1c2p n SER 76 N -4.48 0.27 -0.13 0.00 7.64 -0.35 -1.45 113.62 115.12 1c2p n SER 76 Ca 0.10 0.60 0.13 0.00 1.01 0.00 0.00 58.87 60.71 1c2p n SER 76 Cb 0.34 -0.65 0.37 0.00 -1.01 0.00 0.00 64.21 63.26 1c2p n SER 76 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1c2p n THR 77 N -1.84 0.00 -2.97 0.44 -2.24 -0.14 -4.72 114.28 102.82 1c2p n THR 77 Ca 0.01 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 1c2p n THR 77 Cb 0.08 0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 1c2p n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1c2p s VAL 78 N -2.70 4.49 -0.17 2.28 1.01 -0.53 -4.97 120.40 119.81 1c2p s VAL 78 Ca 0.20 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.88 1c2p s VAL 78 Cb 0.19 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1c2p s VAL 78 CO 0.58 0.46 -0.20 -0.75 0.00 0.00 0.00 175.10 175.20 1c2p s LYS 79 N -0.74 3.03 0.13 2.72 2.20 -1.26 -0.55 119.74 125.25 1c2p s LYS 79 Ca 0.37 -0.82 0.11 0.00 -0.36 0.00 0.00 55.97 55.27 1c2p s LYS 79 Cb -0.22 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 1c2p s LYS 79 CO 0.25 -0.15 -0.27 0.00 -0.36 0.00 0.00 175.35 174.82 1c2p s ALA 80 N 1.17 2.37 0.22 3.13 0.00 -0.86 -4.95 121.76 122.83 1c2p s ALA 80 Ca 0.02 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.60 1c2p s ALA 80 Cb -0.14 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1c2p s ALA 80 CO -0.09 0.54 0.02 0.15 0.00 0.00 0.00 175.76 176.38 1c2p s LYS 81 N -2.03 2.43 0.08 0.00 -0.14 -1.26 -4.52 119.74 114.30 1c2p s LYS 81 Ca 0.14 -1.22 -0.22 0.00 -1.36 0.00 0.00 55.97 53.31 1c2p s LYS 81 Cb -0.10 -2.31 -0.07 0.00 -1.68 0.00 0.00 37.83 33.68 1c2p s LYS 81 CO 0.06 0.41 0.65 -1.17 -0.76 0.00 0.00 175.35 174.54 1c2p s LEU 82 N -3.33 4.52 0.12 3.17 2.96 -1.26 -4.49 118.68 120.36 1c2p s LEU 82 Ca 0.30 1.36 -0.17 0.00 -0.22 0.00 0.00 54.13 55.40 1c2p s LEU 82 Cb -0.08 -3.04 -0.07 0.00 0.50 0.00 0.00 46.19 43.50 1c2p s LEU 82 CO 0.20 0.20 0.57 -0.76 -1.32 0.00 0.00 176.35 175.23 1c2p s LEU 83 N -0.83 4.42 0.87 -0.68 1.02 -1.26 -5.05 118.68 117.17 1c2p s LEU 83 Ca 0.32 1.18 -0.12 0.00 0.02 0.00 0.00 54.13 55.53 1c2p s LEU 83 Cb -0.20 -3.12 0.11 0.00 0.02 0.00 0.00 46.19 43.00 1c2p s LEU 83 CO 0.21 0.18 1.10 -0.94 0.02 0.00 0.00 176.35 176.92 1c2p s SER 84 N -1.44 3.81 0.20 2.29 1.04 -1.26 -4.81 113.70 113.53 1c2p s SER 84 Ca 0.34 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.97 1c2p s SER 84 Cb -0.17 -2.00 0.14 0.00 0.10 0.00 0.00 66.02 64.10 1c2p s SER 84 CO 0.19 -2.40 1.86 0.58 0.98 0.00 0.00 173.24 174.45 1c2p h VAL 85 N -1.39 1.16 -0.39 5.02 2.07 -1.98 -1.95 116.25 118.80 1c2p h VAL 85 Ca -0.49 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1c2p h VAL 85 Cb 1.29 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1c2p h VAL 85 CO 0.58 0.17 0.22 1.05 0.02 0.00 0.00 177.57 179.61 1c2p h GLU 86 N 0.92 0.53 -0.63 1.57 9.09 -1.97 0.15 114.58 124.24 1c2p h GLU 86 Ca 0.26 -0.06 0.02 0.00 0.05 0.00 0.00 59.36 59.64 1c2p h GLU 86 Cb -0.08 -0.11 -0.04 0.00 -1.65 0.00 0.00 28.75 26.87 1c2p h GLU 86 CO -0.07 0.42 0.39 0.93 0.05 0.00 0.00 179.01 180.73 1c2p h GLU 87 N 0.50 0.75 -0.40 1.06 5.08 -1.86 -1.62 114.58 118.09 1c2p h GLU 87 Ca 0.14 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 1c2p h GLU 87 Cb 0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1c2p h GLU 87 CO -0.02 0.50 -0.20 0.00 -1.00 0.00 0.00 179.01 178.28 1c2p h ALA 88 N 1.27 0.89 -0.88 3.43 0.00 -1.01 -2.78 119.26 120.18 1c2p h ALA 88 Ca 0.25 -0.36 -0.76 0.00 0.00 0.00 0.00 54.91 54.04 1c2p h ALA 88 Cb 0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 17.79 17.49 1c2p h ALA 88 CO -0.10 0.63 2.08 0.00 0.00 0.00 0.00 179.25 181.86 1c2p n LYS 90 N 2.69 2.93 0.00 0.00 4.76 -1.06 -3.51 118.16 123.98 1c2p n LYS 90 Ca 0.48 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 56.06 1c2p n LYS 90 Cb 0.31 -0.24 0.47 0.00 -1.84 0.00 0.00 35.03 33.72 1c2p n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c2p n LEU 91 N 0.00 0.88 -4.71 -0.35 4.77 -0.69 -4.84 117.00 112.06 1c2p n LEU 91 Ca 0.00 -0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.36 1c2p n LEU 91 Cb 0.00 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1c2p n LEU 91 CO 0.00 0.16 0.80 -0.89 -1.33 0.00 0.00 177.39 176.13 1c2p s THR 92 N -2.45 4.43 0.33 -5.08 2.01 -1.23 0.04 115.64 113.69 1c2p s THR 92 Ca 0.27 1.75 -0.29 0.00 0.31 0.00 0.00 61.69 63.73 1c2p s THR 92 Cb 0.20 -4.12 -0.11 0.00 0.01 0.00 0.00 72.50 68.48 1c2p s THR 92 CO 0.49 0.12 1.48 -2.84 -0.69 0.00 0.00 174.62 173.18 1c2p s PRO 93 N 1.13 4.18 0.51 4.92 0.02 -1.26 -4.78 135.00 139.72 1c2p s PRO 93 Ca 0.55 2.47 0.29 0.00 0.02 0.00 0.00 61.00 64.33 1c2p s PRO 93 Cb -0.25 -3.02 1.40 0.00 0.02 0.00 0.00 34.50 32.64 1c2p s PRO 93 CO 0.28 -0.48 1.88 -1.35 -0.33 0.00 0.00 177.00 177.00 1c2p h PRO 94 N 3.85 0.09 -0.45 5.54 0.11 -1.93 -1.11 132.00 138.09 1c2p h PRO 94 Ca -0.49 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.38 1c2p h PRO 94 Cb 1.23 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 1c2p h PRO 94 CO 0.70 0.06 -0.00 0.72 -0.21 0.00 0.00 178.00 179.27 1c2p n HIS 95 N -4.33 1.39 -1.64 0.65 8.25 -1.26 -4.21 115.22 114.07 1c2p n HIS 95 Ca 0.19 -1.68 -0.33 0.00 -0.26 0.00 0.00 57.72 55.63 1c2p n HIS 95 Cb 0.91 -0.56 0.06 0.00 1.12 0.00 0.00 29.99 31.52 1c2p n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1c2p s SER 96 N -2.42 4.83 0.19 0.41 0.15 -0.42 -4.91 113.70 111.53 1c2p s SER 96 Ca 0.47 2.07 -0.33 0.00 0.70 0.00 0.00 55.95 58.86 1c2p s SER 96 Cb 0.42 -2.56 -0.13 0.00 -1.71 0.00 0.00 66.02 62.04 1c2p s SER 96 CO 0.01 -1.82 1.61 0.00 1.20 0.00 0.00 173.24 174.24 1c2p n ALA 97 N -2.57 1.82 -1.07 5.45 0.00 -1.26 -4.34 120.51 118.55 1c2p n ALA 97 Ca 0.11 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.66 1c2p n ALA 97 Cb 0.52 -2.40 0.12 0.00 0.00 0.00 0.00 19.45 17.69 1c2p n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1c2p s LYS 98 N 0.81 1.75 0.53 0.00 -2.85 -1.26 -4.60 119.74 114.12 1c2p s LYS 98 Ca 0.76 1.49 -0.17 0.00 -1.00 0.00 0.00 55.97 57.06 1c2p s LYS 98 Cb -0.62 -1.81 -0.07 0.00 -2.06 0.00 0.00 37.83 33.27 1c2p s LYS 98 CO 0.38 -2.07 1.00 0.45 0.10 0.00 0.00 175.35 175.21 1c2p s SER 99 N -2.69 6.43 0.00 0.03 0.15 -0.26 -4.66 113.70 112.69 1c2p s SER 99 Ca 0.67 1.66 0.28 0.00 0.70 0.00 0.00 55.95 59.27 1c2p s SER 99 Cb -0.23 -2.52 1.40 0.00 -1.71 0.00 0.00 66.02 62.97 1c2p s SER 99 CO 0.53 -0.72 1.97 0.29 1.20 0.00 0.00 173.24 176.51 1c2p n LYS 100 N -1.58 0.35 -1.21 5.44 5.02 -1.26 -3.75 118.16 121.18 1c2p n LYS 100 Ca 0.07 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.16 1c2p n LYS 100 Cb 0.54 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.20 1c2p n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1c2p n PHE 101 N -1.31 2.69 -1.55 2.13 3.72 -1.26 -4.95 117.46 116.94 1c2p n PHE 101 Ca 0.13 -2.09 0.00 0.00 -0.05 0.00 0.00 57.45 55.43 1c2p n PHE 101 Cb 0.24 -0.94 0.00 0.00 -0.94 0.00 0.00 39.48 37.84 1c2p n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c2p n GLY 102 N -1.07 0.58 3.58 1.37 0.00 -1.25 -5.05 105.19 103.35 1c2p n GLY 102 Ca 0.54 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1c2p n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1c2p s TYR 103 N -2.00 -0.32 0.25 1.61 -0.85 -1.26 -4.99 117.35 109.79 1c2p s TYR 103 Ca 0.00 -0.00 0.02 0.00 -0.52 0.00 0.00 57.07 56.57 1c2p s TYR 103 Cb 0.00 0.56 -0.01 0.00 0.38 0.00 0.00 41.96 42.89 1c2p s TYR 103 CO 0.00 -0.98 0.08 0.41 -1.52 0.00 0.00 175.55 173.54 1c2p n GLY 104 N -0.39 3.59 0.35 5.49 0.00 -1.26 -1.11 105.19 111.86 1c2p n GLY 104 Ca -0.11 -2.05 0.11 0.00 0.00 0.00 0.00 46.02 43.96 1c2p n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2p h ALA 105 N 1.40 1.94 -0.47 4.61 0.00 -1.82 -0.61 119.26 124.31 1c2p h ALA 105 Ca -0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1c2p h ALA 105 Cb 0.73 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1c2p h ALA 105 CO 0.31 -0.07 0.14 0.87 0.00 0.00 0.00 179.25 180.50 1c2p h LYS 106 N 0.49 0.73 -0.75 0.00 1.79 -1.90 -0.32 116.57 116.60 1c2p h LYS 106 Ca 0.28 -0.16 -0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1c2p h LYS 106 Cb 0.47 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1c2p h LYS 106 CO -0.08 0.70 0.24 -0.44 -1.08 0.00 0.00 179.45 178.78 1c2p h ASP 107 N 0.62 1.09 0.34 0.86 3.32 -1.55 -1.34 116.42 119.77 1c2p h ASP 107 Ca 0.15 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1c2p h ASP 107 Cb 0.28 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1c2p h ASP 107 CO -0.00 1.01 -0.16 0.58 -1.72 0.00 0.00 179.24 178.94 1c2p h VAL 108 N 1.12 0.68 -0.27 -1.35 2.07 -0.88 -1.20 116.25 116.42 1c2p h VAL 108 Ca 0.24 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1c2p h VAL 108 Cb 0.30 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1c2p h VAL 108 CO -0.01 0.04 0.17 0.03 0.02 0.00 0.00 177.57 177.82 1c2p h ARG 109 N -0.56 0.35 -0.00 1.57 3.08 -1.00 -0.25 114.38 117.57 1c2p h ARG 109 Ca -0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1c2p h ARG 109 Cb 0.42 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1c2p h ARG 109 CO 0.08 0.24 -0.04 0.09 -1.07 0.00 0.00 179.97 179.26 1c2p n ASN 110 N -4.49 0.32 -3.62 7.04 3.02 -0.51 -4.92 115.26 112.10 1c2p n ASN 110 Ca 0.01 -0.67 -0.26 0.00 -0.03 0.00 0.00 54.58 53.63 1c2p n ASN 110 Cb 0.07 -0.10 0.06 0.00 -0.61 0.00 0.00 39.78 39.20 1c2p n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1c2p n LEU 111 N -0.94 -3.01 -4.76 3.41 4.77 -0.11 -4.93 117.00 111.41 1c2p n LEU 111 Ca 0.17 -0.58 -0.39 0.00 -0.03 0.00 0.00 56.01 55.19 1c2p n LEU 111 Cb 0.23 -2.86 0.01 0.00 -2.33 0.00 0.00 43.42 38.46 1c2p n LEU 111 CO 0.21 0.54 0.98 -0.94 -1.33 0.00 0.00 177.39 176.85 1c2p s SER 112 N -3.23 6.02 0.39 -1.43 1.04 -0.53 -4.79 113.70 111.17 1c2p s SER 112 Ca 0.58 2.70 0.13 0.00 0.48 0.00 0.00 55.95 59.84 1c2p s SER 112 Cb -0.27 -2.64 0.95 0.00 0.10 0.00 0.00 66.02 64.16 1c2p s SER 112 CO 0.71 -1.05 1.88 0.77 0.98 0.00 0.00 173.24 176.53 1c2p h SER 113 N 2.33 0.52 -0.19 7.02 4.64 -1.91 -0.68 113.55 125.27 1c2p h SER 113 Ca -0.50 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 1c2p h SER 113 Cb 1.26 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1c2p h SER 113 CO 0.61 0.25 0.02 0.50 -0.87 0.00 0.00 176.83 177.34 1c2p h LYS 114 N 0.54 0.32 -0.28 4.77 3.64 -1.96 0.16 116.57 123.77 1c2p h LYS 114 Ca 0.44 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.67 1c2p h LYS 114 Cb 0.88 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1c2p h LYS 114 CO -0.18 0.50 -0.05 0.00 -2.27 0.00 0.00 179.45 177.44 1c2p h ALA 115 N 0.81 0.39 -0.60 5.00 0.00 -1.71 -1.92 119.26 121.23 1c2p h ALA 115 Ca 0.06 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1c2p h ALA 115 Cb 0.34 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1c2p h ALA 115 CO 0.01 0.19 0.07 0.28 0.00 0.00 0.00 179.25 179.79 1c2p h VAL 116 N 0.30 1.26 -0.60 0.00 2.07 -1.12 0.11 116.25 118.27 1c2p h VAL 116 Ca 0.07 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1c2p h VAL 116 Cb 0.52 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1c2p h VAL 116 CO 0.03 0.38 0.19 0.78 0.02 0.00 0.00 177.57 178.97 1c2p h ASN 117 N 0.90 0.86 -0.38 0.57 2.35 -0.64 -1.95 115.58 117.30 1c2p h ASN 117 Ca 0.18 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1c2p h ASN 117 Cb 0.46 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1c2p h ASN 117 CO 0.02 0.84 -0.00 -0.74 -1.65 0.00 0.00 177.43 175.89 1c2p h HIS 118 N 0.85 0.74 -0.70 1.19 2.76 -1.08 -2.72 115.15 116.19 1c2p h HIS 118 Ca 0.19 -0.13 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1c2p h HIS 118 Cb 0.28 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 29.00 1c2p h HIS 118 CO 0.02 0.76 0.42 0.82 -1.30 0.00 0.00 177.93 178.65 1c2p h ILE 119 N 0.50 1.04 -0.14 6.26 2.04 -0.80 -1.00 117.51 125.40 1c2p h ILE 119 Ca 0.11 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1c2p h ILE 119 Cb 0.47 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1c2p h ILE 119 CO 0.02 0.15 -0.07 0.45 0.00 0.00 0.00 178.15 178.70 1c2p h HIS 120 N 0.80 0.22 0.00 1.37 3.86 -1.26 -0.85 115.15 119.29 1c2p h HIS 120 Ca 0.30 -0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.33 1c2p h HIS 120 Cb 0.10 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1c2p h HIS 120 CO -0.05 0.29 -0.77 0.66 0.86 0.00 0.00 177.93 178.92 1c2p h SER 121 N 0.21 0.00 -0.20 2.45 4.64 -1.01 -1.46 113.55 118.18 1c2p h SER 121 Ca 0.05 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.18 1c2p h SER 121 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1c2p h SER 121 CO 0.01 0.77 -0.59 0.58 -0.87 0.00 0.00 176.83 176.72 1c2p h VAL 122 N 0.00 1.28 0.08 0.95 2.07 -0.40 -2.29 116.25 117.94 1c2p h VAL 122 Ca -0.01 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 65.71 1c2p h VAL 122 Cb 1.38 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1c2p h VAL 122 CO 0.10 0.58 -0.04 -0.25 0.02 0.00 0.00 177.57 177.98 1c2p h TRP 123 N 0.61 -0.10 -0.94 1.57 2.91 -1.10 -1.40 115.95 117.50 1c2p h TRP 123 Ca 0.00 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.08 1c2p h TRP 123 Cb 1.20 0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 29.82 1c2p h TRP 123 CO 0.07 0.10 0.61 -0.22 -1.03 0.00 0.00 178.44 177.97 1c2p h LYS 124 N -0.28 1.05 -0.45 2.65 3.64 -1.29 -1.71 116.57 120.19 1c2p h LYS 124 Ca -0.01 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 1c2p h LYS 124 Cb 0.24 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1c2p h LYS 124 CO 0.02 0.70 -0.15 0.22 -2.27 0.00 0.00 179.45 177.97 1c2p h ASP 125 N 1.09 0.84 -0.50 4.20 3.58 -1.19 -1.80 116.42 122.64 1c2p h ASP 125 Ca 0.40 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1c2p h ASP 125 Cb 0.18 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1c2p h ASP 125 CO -0.15 1.00 0.23 -0.07 -2.88 0.00 0.00 179.24 177.36 1c2p h LEU 126 N 0.75 0.70 -0.47 2.28 3.38 -0.36 -0.85 115.31 120.74 1c2p h LEU 126 Ca 0.12 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 1c2p h LEU 126 Cb 0.66 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1c2p h LEU 126 CO 0.05 0.62 -0.69 -0.07 0.09 0.00 0.00 178.44 178.43 1c2p h LEU 127 N 0.77 0.41 0.00 1.67 3.38 -1.06 -3.30 115.31 117.17 1c2p h LEU 127 Ca 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1c2p h LEU 127 Cb 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1c2p h LEU 127 CO -0.02 0.98 -0.74 -0.62 0.09 0.00 0.00 178.44 178.12 1c2p n GLU 128 N -3.84 0.27 -3.80 1.13 1.02 -0.71 -4.83 120.64 109.88 1c2p n GLU 128 Ca -0.04 0.05 -0.23 0.00 -0.02 0.00 0.00 57.16 56.93 1c2p n GLU 128 Cb 0.68 -1.64 -0.17 0.00 -0.02 0.00 0.00 31.44 30.28 1c2p n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1c2p s ASP 129 N -4.05 1.54 -0.13 1.62 -1.08 -0.35 -5.01 116.67 109.21 1c2p s ASP 129 Ca 0.06 -0.09 0.18 0.00 -0.52 0.00 0.00 52.55 52.18 1c2p s ASP 129 Cb 0.14 -0.44 0.33 0.00 -1.46 0.00 0.00 42.92 41.48 1c2p s ASP 129 CO 0.74 -0.18 1.20 0.35 0.52 0.00 0.00 175.17 177.80 1c2p n THR 130 N 5.06 1.93 0.00 1.71 -2.24 -1.26 -4.58 114.28 114.90 1c2p n THR 130 Ca -0.09 -2.14 0.00 0.00 -2.27 0.00 0.00 64.05 59.56 1c2p n THR 130 Cb 0.50 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1c2p n THR 130 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1c2p n VAL 131 N -1.21 0.00 -1.90 2.28 0.31 -1.26 -4.56 118.33 111.98 1c2p n VAL 131 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.07 1c2p n VAL 131 Cb 0.67 -0.47 -0.03 0.00 -0.91 0.00 0.00 33.84 33.11 1c2p n VAL 131 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1c2p s THR 132 N -1.88 3.39 0.27 2.52 2.01 -1.26 -4.73 115.64 115.96 1c2p s THR 132 Ca 0.00 0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 1c2p s THR 132 Cb 0.00 -3.40 -0.14 0.00 0.01 0.00 0.00 72.50 68.97 1c2p s THR 132 CO 0.00 -0.17 1.22 -2.65 -0.69 0.00 0.00 174.62 172.33 1c2p n PRO 133 N 7.89 1.72 -3.43 4.92 -0.02 -1.26 -4.71 135.00 140.11 1c2p n PRO 133 Ca 0.22 0.61 -0.38 0.00 -2.02 0.00 0.00 63.50 61.92 1c2p n PRO 133 Cb 0.44 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 1c2p n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1c2p s ILE 134 N -0.65 5.06 0.53 4.25 1.01 0.17 -4.96 121.20 126.61 1c2p s ILE 134 Ca 0.63 0.89 -0.21 0.00 0.00 0.00 0.00 60.65 61.96 1c2p s ILE 134 Cb -0.68 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 37.98 1c2p s ILE 134 CO 0.56 0.49 1.18 -0.62 0.00 0.00 0.00 174.94 176.56 1c2p s ASP 135 N -0.49 5.70 0.04 3.58 2.15 -1.26 -4.28 116.67 122.10 1c2p s ASP 135 Ca 0.24 2.33 0.01 0.00 0.43 0.00 0.00 52.55 55.56 1c2p s ASP 135 Cb -0.16 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 1c2p s ASP 135 CO 0.12 -1.24 -0.05 0.42 -0.17 0.00 0.00 175.17 174.25 1c2p s THR 136 N -1.60 0.37 -0.11 1.71 -4.23 -1.06 -4.32 115.64 106.39 1c2p s THR 136 Ca 0.71 -1.19 -0.05 0.00 -1.18 0.00 0.00 61.69 59.98 1c2p s THR 136 Cb -0.29 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.82 1c2p s THR 136 CO 0.33 -0.54 0.07 -0.89 -0.54 0.00 0.00 174.62 173.05 1c2p s THR 137 N -1.91 4.92 0.30 3.99 2.01 -0.05 -0.68 115.64 124.22 1c2p s THR 137 Ca -0.08 -0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.00 1c2p s THR 137 Cb -0.06 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1c2p s THR 137 CO -0.02 0.60 0.07 -0.51 -0.69 0.00 0.00 174.62 174.07 1c2p s ILE 138 N -0.82 3.29 -0.05 1.82 2.07 -0.68 -1.49 121.20 125.34 1c2p s ILE 138 Ca 0.13 -1.80 0.04 0.00 -1.41 0.00 0.00 60.65 57.61 1c2p s ILE 138 Cb -0.12 -2.93 -0.00 0.00 0.13 0.00 0.00 42.46 39.54 1c2p s ILE 138 CO 0.03 -0.29 -0.17 0.00 -1.91 0.00 0.00 174.94 172.60 1c2p s ALA 140 N -2.36 1.53 0.28 1.50 0.00 -1.26 -4.48 121.76 116.97 1c2p s ALA 140 Ca 0.34 -0.67 -0.23 0.00 0.00 0.00 0.00 51.96 51.40 1c2p s ALA 140 Cb -0.05 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.45 1c2p s ALA 140 CO 0.21 0.26 0.85 0.15 0.00 0.00 0.00 175.76 177.23 1c2p s LYS 141 N 0.14 4.44 -0.57 0.00 1.02 0.37 -4.77 119.74 120.39 1c2p s LYS 141 Ca -0.06 1.13 -0.16 0.00 0.02 0.00 0.00 55.97 56.90 1c2p s LYS 141 Cb -0.12 -2.83 0.14 0.00 -0.52 0.00 0.00 37.83 34.49 1c2p s LYS 141 CO 0.03 0.33 0.53 -0.80 -0.92 0.00 0.00 175.35 174.51 1c2p s ASN 142 N -1.63 6.24 0.05 2.83 0.02 -1.26 -4.35 114.94 116.84 1c2p s ASN 142 Ca 0.47 -1.86 0.08 0.00 -1.02 0.00 0.00 52.86 50.53 1c2p s ASN 142 Cb -0.18 -2.21 -0.03 0.00 0.02 0.00 0.00 41.25 38.85 1c2p s ASN 142 CO 0.22 -0.84 -0.23 -1.61 0.02 0.00 0.00 177.10 174.67 1c2p s GLU 143 N 1.50 1.53 -0.13 -0.60 2.02 -1.25 -4.85 118.70 116.92 1c2p s GLU 143 Ca 0.04 -1.01 -0.12 0.00 0.02 0.00 0.00 54.97 53.90 1c2p s GLU 143 Cb -0.28 -1.68 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 1c2p s GLU 143 CO 0.02 0.43 0.25 0.08 0.02 0.00 0.00 175.26 176.06 1c2p s VAL 144 N -0.81 5.32 0.29 2.63 1.01 -1.26 -0.22 120.40 127.36 1c2p s VAL 144 Ca 0.09 0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.58 1c2p s VAL 144 Cb -0.09 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1c2p s VAL 144 CO 0.02 0.48 0.24 -0.36 0.00 0.00 0.00 175.10 175.48 1c2p s PHE 145 N -0.14 1.56 -0.06 5.22 0.08 -0.50 -4.74 117.98 119.39 1c2p s PHE 145 Ca 0.16 -1.57 0.01 0.00 0.12 0.00 0.00 56.93 55.65 1c2p s PHE 145 Cb -0.13 -0.66 -0.03 0.00 -0.57 0.00 0.00 43.02 41.63 1c2p s PHE 145 CO 0.04 -0.81 -0.06 0.00 -0.10 0.00 0.00 175.22 174.30 1c2p s VAL 147 N -0.84 2.01 -1.01 0.00 -7.23 -1.26 -5.00 120.40 107.07 1c2p s VAL 147 Ca 0.13 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.25 1c2p s VAL 147 Cb -0.11 -2.07 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 1c2p s VAL 147 CO 0.02 -0.01 0.89 1.67 -0.31 0.00 0.00 175.10 177.36 1c2p n GLN 148 N -4.91 -2.16 -4.67 4.82 -0.06 -1.26 -5.09 117.38 104.05 1c2p n GLN 148 Ca 0.03 0.86 -0.33 0.00 -2.00 0.00 0.00 57.00 55.56 1c2p n GLN 148 Cb 0.54 -5.71 -0.12 0.00 -4.06 0.00 0.00 30.24 20.90 1c2p n GLN 148 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1c2p s ARG 154 N -4.31 2.62 0.24 3.69 0.52 -1.26 -5.25 118.95 115.20 1c2p s ARG 154 Ca 0.43 -0.63 -0.21 0.00 -0.52 0.00 0.00 55.73 54.80 1c2p s ARG 154 Cb -0.06 -2.50 -0.08 0.00 0.52 0.00 0.00 34.95 32.83 1c2p s ARG 154 CO 0.72 0.64 0.76 -1.59 0.02 0.00 0.00 175.30 175.85 1c2p s LYS 155 N -0.91 4.31 0.95 3.54 -2.85 -1.26 -5.07 119.74 118.45 1c2p s LYS 155 Ca 0.13 0.94 -0.12 0.00 -1.00 0.00 0.00 55.97 55.92 1c2p s LYS 155 Cb -0.11 -2.87 0.16 0.00 -2.06 0.00 0.00 37.83 32.95 1c2p s LYS 155 CO 0.02 0.38 1.10 -1.25 0.10 0.00 0.00 175.35 175.70 1c2p s PRO 156 N -1.97 0.84 0.51 1.78 0.04 -1.26 -4.86 135.00 130.07 1c2p s PRO 156 Ca 0.44 0.61 -0.22 0.00 0.04 0.00 0.00 61.00 61.88 1c2p s PRO 156 Cb -0.17 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 1c2p s PRO 156 CO 0.21 -2.47 1.20 0.00 0.04 0.00 0.00 177.00 175.98 1c2p s ALA 157 N -2.99 2.84 0.43 8.56 0.00 -1.26 -4.99 121.76 124.35 1c2p s ALA 157 Ca 0.64 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 53.51 1c2p s ALA 157 Cb -0.18 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 1c2p s ALA 157 CO 0.57 -0.87 0.77 1.03 0.00 0.00 0.00 175.76 177.27 1c2p s ARG 158 N -2.92 3.70 0.16 0.00 0.52 -1.26 -4.67 118.95 114.49 1c2p s ARG 158 Ca 0.68 0.39 0.06 0.00 -0.52 0.00 0.00 55.73 56.34 1c2p s ARG 158 Cb -0.30 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 1c2p s ARG 158 CO 0.35 -0.09 0.08 -0.51 0.02 0.00 0.00 175.30 175.16 1c2p s LEU 159 N -4.11 3.62 -0.06 2.53 1.02 -1.26 -0.48 118.68 119.94 1c2p s LEU 159 Ca 0.50 -0.22 0.03 0.00 0.02 0.00 0.00 54.13 54.46 1c2p s LEU 159 Cb -0.10 -2.26 0.01 0.00 0.02 0.00 0.00 46.19 43.86 1c2p s LEU 159 CO 0.36 0.09 -0.14 -0.51 0.02 0.00 0.00 176.35 176.17 1c2p s ILE 160 N -1.71 1.22 -0.14 -0.59 1.10 -1.26 -4.89 121.20 114.94 1c2p s ILE 160 Ca 0.29 -0.54 0.02 0.00 -0.51 0.00 0.00 60.65 59.91 1c2p s ILE 160 Cb -0.10 -1.10 0.01 0.00 0.15 0.00 0.00 42.46 41.42 1c2p s ILE 160 CO 0.21 0.37 -0.21 -0.69 -2.11 0.00 0.00 174.94 172.52 1c2p s VAL 161 N 0.54 2.20 -0.06 4.00 1.01 -1.26 -4.22 120.40 122.60 1c2p s VAL 161 Ca -0.13 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.82 1c2p s VAL 161 Cb -0.15 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.36 1c2p s VAL 161 CO 0.04 0.54 0.25 0.72 0.00 0.00 0.00 175.10 176.65 1c2p s PHE 162 N 0.79 -0.20 0.88 5.22 -0.71 -0.56 -0.26 117.98 123.14 1c2p s PHE 162 Ca -0.07 0.44 -0.13 0.00 -1.04 0.00 0.00 56.93 56.13 1c2p s PHE 162 Cb -0.16 0.07 0.13 0.00 -1.21 0.00 0.00 43.02 41.85 1c2p s PHE 162 CO -0.01 -0.22 1.19 -1.25 -1.34 0.00 0.00 175.22 173.59 1c2p s PRO 163 N -0.46 1.36 0.83 1.99 0.04 -1.26 -0.87 135.00 136.63 1c2p s PRO 163 Ca -0.06 0.08 -0.10 0.00 0.04 0.00 0.00 61.00 60.96 1c2p s PRO 163 Cb -0.04 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.71 1c2p s PRO 163 CO 0.01 -2.01 1.11 0.34 0.04 0.00 0.00 177.00 176.50 1c2p s ASP 164 N -4.43 3.85 0.21 6.66 2.15 -1.26 -4.74 116.67 119.11 1c2p s ASP 164 Ca 0.65 1.96 -0.10 0.00 0.43 0.00 0.00 52.55 55.49 1c2p s ASP 164 Cb -0.11 -2.53 0.30 0.00 -0.30 0.00 0.00 42.92 40.27 1c2p s ASP 164 CO 0.51 -2.48 1.68 0.25 -0.17 0.00 0.00 175.17 174.97 1c2p h LEU 165 N -1.44 -0.13 -1.22 -1.34 5.85 -1.83 -1.00 115.31 114.21 1c2p h LEU 165 Ca -0.43 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1c2p h LEU 165 Cb 1.25 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.44 1c2p h LEU 165 CO 0.47 -0.06 0.54 1.23 -0.34 0.00 0.00 178.44 180.29 1c2p h GLY 166 N 0.18 1.16 1.05 3.75 0.00 -1.95 -1.87 103.07 105.39 1c2p h GLY 166 Ca 0.32 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 1c2p h GLY 166 CO -0.46 0.35 -0.15 -2.08 0.00 0.00 0.00 176.54 174.20 1c2p h VAL 167 N 1.02 1.27 -0.84 4.60 2.07 -1.57 -2.74 116.25 120.06 1c2p h VAL 167 Ca 0.32 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1c2p h VAL 167 Cb 0.02 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1c2p h VAL 167 CO -0.09 0.44 0.53 0.03 0.02 0.00 0.00 177.57 178.50 1c2p h ARG 168 N 0.75 1.13 -0.19 1.57 3.08 -0.55 -0.16 114.38 120.01 1c2p h ARG 168 Ca 0.11 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1c2p h ARG 168 Cb 0.71 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1c2p h ARG 168 CO 0.05 0.77 -0.39 0.28 -1.07 0.00 0.00 179.97 179.61 1c2p h VAL 169 N 1.15 1.30 -0.46 2.04 2.07 -1.37 -2.65 116.25 118.33 1c2p h VAL 169 Ca 0.31 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 1c2p h VAL 169 Cb -0.09 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1c2p h VAL 169 CO -0.06 0.47 -0.05 0.00 0.02 0.00 0.00 177.57 177.95 1c2p h GLU 171 N 0.73 1.16 -1.25 0.00 5.08 -0.77 -2.06 114.58 117.47 1c2p h GLU 171 Ca 0.13 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1c2p h GLU 171 Cb 0.52 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1c2p h GLU 171 CO 0.03 0.84 0.00 1.63 -1.00 0.00 0.00 179.01 180.50 1c2p n LYS 172 N -4.41 0.12 0.00 2.33 5.02 -0.99 -0.65 118.16 119.58 1c2p n LYS 172 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1c2p n LYS 172 Cb 0.08 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1c2p n LYS 172 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2p n ALA 174 N 0.76 0.00 -0.26 7.82 0.00 -0.77 -0.98 120.51 127.07 1c2p n ALA 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1c2p n ALA 174 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1c2p n ALA 174 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1c2p n LEU 175 N 0.00 0.50 0.05 0.00 4.77 0.17 -4.78 117.00 117.72 1c2p n LEU 175 Ca 0.00 -0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 55.29 1c2p n LEU 175 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1c2p n LEU 175 CO 0.00 0.13 0.74 0.22 -1.33 0.00 0.00 177.39 177.15 1c2p h TYR 176 N 0.00 -0.47 -0.84 -1.77 3.20 -1.13 0.04 116.97 115.99 1c2p h TYR 176 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1c2p h TYR 176 Cb 0.13 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1c2p h TYR 176 CO 0.00 -0.26 0.50 0.22 -1.64 0.00 0.00 178.16 176.98 1c2p h ASP 177 N -0.29 1.01 -0.11 -2.11 3.58 -1.80 -2.13 116.42 114.58 1c2p h ASP 177 Ca 0.06 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1c2p h ASP 177 Cb 0.37 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 1c2p h ASP 177 CO -0.18 0.78 0.03 0.58 -2.88 0.00 0.00 179.24 177.57 1c2p h VAL 178 N 1.16 1.19 0.00 2.25 2.07 -1.73 -1.69 116.25 119.50 1c2p h VAL 178 Ca 0.30 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1c2p h VAL 178 Cb -0.04 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1c2p h VAL 178 CO -0.06 0.17 0.00 -0.37 0.02 0.00 0.00 177.57 177.34 1c2p h VAL 179 N -0.03 0.00 0.00 2.57 -1.51 -0.79 -0.53 116.25 115.97 1c2p h VAL 179 Ca 0.03 -0.35 -0.27 0.00 -1.23 0.00 0.00 66.70 64.89 1c2p h VAL 179 Cb 0.25 1.20 -0.04 0.00 -2.13 0.00 0.00 31.29 30.57 1c2p h VAL 179 CO 0.00 0.00 -1.47 0.28 -1.23 0.00 0.00 177.57 175.15 1c2p h SER 180 N 0.00 0.02 0.00 4.19 0.02 -1.19 -3.42 113.55 113.16 1c2p h SER 180 Ca 0.00 -0.03 -0.30 0.00 -0.84 0.00 0.00 61.79 60.62 1c2p h SER 180 Cb 0.53 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1c2p h SER 180 CO 0.00 1.02 -2.13 0.41 -1.14 0.00 0.00 176.83 175.00 1c2p n THR 181 N -3.16 1.13 -0.23 -2.27 -1.04 -0.65 -4.65 114.28 103.40 1c2p n THR 181 Ca -0.11 -0.42 -0.03 0.00 -2.04 0.00 0.00 64.05 61.45 1c2p n THR 181 Cb 1.01 -1.25 0.09 0.00 -1.82 0.00 0.00 70.33 68.36 1c2p n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1c2p h LEU 182 N -0.08 0.61 -0.50 -4.42 6.46 -1.30 -3.16 115.31 112.92 1c2p h LEU 182 Ca -0.45 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.41 1c2p h LEU 182 Cb 1.66 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 41.41 1c2p h LEU 182 CO -0.09 0.41 0.11 -0.65 -0.62 0.00 0.00 178.44 177.59 1c2p h PRO 183 N 0.74 0.24 -0.41 5.25 0.11 -1.81 -0.95 132.00 135.17 1c2p h PRO 183 Ca 0.28 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.25 1c2p h PRO 183 Cb 0.11 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1c2p h PRO 183 CO -0.15 0.16 -0.28 0.37 -0.21 0.00 0.00 178.00 177.90 1c2p h GLN 184 N 0.25 0.87 -0.72 1.05 -0.00 -1.87 -3.07 115.11 111.61 1c2p h GLN 184 Ca 0.25 -0.39 -0.03 0.00 -0.00 0.00 0.00 58.65 58.48 1c2p h GLN 184 Cb 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.76 1c2p h GLN 184 CO -0.32 1.04 0.33 0.28 0.00 0.00 0.00 178.83 180.16 1c2p h VAL 185 N 0.74 1.24 0.00 2.39 2.07 -1.40 0.14 116.25 121.42 1c2p h VAL 185 Ca 0.09 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1c2p h VAL 185 Cb 0.83 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1c2p h VAL 185 CO 0.07 0.29 0.00 0.52 0.02 0.00 0.00 177.57 178.47 1c2p n VAL 186 N -4.40 0.00 0.00 2.57 0.31 -0.41 -4.84 118.33 111.56 1c2p n VAL 186 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1c2p n VAL 186 Cb 0.14 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 1c2p n VAL 186 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c2p n GLY 188 N 0.13 -0.62 0.13 2.92 0.00 0.47 -4.96 105.19 103.26 1c2p n GLY 188 Ca 0.07 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.42 1c2p n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c2p n SER 189 N 0.00 0.56 0.25 1.61 3.41 -1.26 -2.33 113.62 115.86 1c2p n SER 189 Ca 0.00 0.69 0.15 0.00 -0.26 0.00 0.00 58.87 59.46 1c2p n SER 189 Cb 0.00 -0.79 0.50 0.00 -0.26 0.00 0.00 64.21 63.65 1c2p n SER 189 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1c2p h SER 190 N 0.00 0.00 -3.33 4.04 0.02 -1.97 -3.43 113.55 108.88 1c2p h SER 190 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1c2p h SER 190 Cb 0.18 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1c2p h SER 190 CO 0.00 0.00 1.04 -0.47 -1.14 0.00 0.00 176.83 176.26 1c2p s TYR 191 N -3.48 2.49 0.32 3.45 5.04 -0.98 -0.98 117.35 123.21 1c2p s TYR 191 Ca 0.04 0.70 0.02 0.00 -2.44 0.00 0.00 57.07 55.39 1c2p s TYR 191 Cb 0.08 -4.29 0.55 0.00 0.35 0.00 0.00 41.96 38.65 1c2p s TYR 191 CO 0.58 -1.84 1.88 0.78 -1.34 0.00 0.00 175.55 175.61 1c2p h GLY 192 N 11.91 0.70 1.59 8.97 0.00 -1.04 -3.19 103.07 122.01 1c2p h GLY 192 Ca -0.27 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1c2p h GLY 192 CO 1.09 0.36 0.00 0.69 0.00 0.00 0.00 176.54 178.68 1c2p n PHE 193 N -4.30 0.00 1.35 5.60 3.72 -1.26 -2.33 117.46 120.24 1c2p n PHE 193 Ca 0.03 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.57 1c2p n PHE 193 Cb 0.22 -0.30 0.62 0.00 -0.94 0.00 0.00 39.48 39.08 1c2p n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c2p n GLN 194 N -1.30 0.52 -4.25 -1.08 10.64 -1.20 -3.15 117.38 117.55 1c2p n GLN 194 Ca 0.06 -0.14 -0.31 0.00 -1.83 0.00 0.00 57.00 54.78 1c2p n GLN 194 Cb 0.11 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 27.90 1c2p n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1c2p s TYR 195 N -2.58 2.99 0.73 2.61 2.02 -0.98 -4.71 117.35 117.44 1c2p s TYR 195 Ca 0.26 0.01 -0.10 0.00 -0.37 0.00 0.00 57.07 56.87 1c2p s TYR 195 Cb 0.20 -1.60 0.05 0.00 -0.40 0.00 0.00 41.96 40.21 1c2p s TYR 195 CO 0.49 0.45 1.09 -1.54 -1.57 0.00 0.00 175.55 174.47 1c2p s SER 196 N -1.85 5.00 0.38 2.29 1.04 -1.26 -4.74 113.70 114.56 1c2p s SER 196 Ca 0.22 0.84 0.09 0.00 0.48 0.00 0.00 55.95 57.58 1c2p s SER 196 Cb -0.11 -1.52 0.83 0.00 0.10 0.00 0.00 66.02 65.31 1c2p s SER 196 CO 0.13 -1.57 1.95 -0.65 0.98 0.00 0.00 173.24 174.08 1c2p h PRO 197 N -0.75 0.63 -0.37 4.02 0.11 -1.98 0.62 132.00 134.29 1c2p h PRO 197 Ca -0.45 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1c2p h PRO 197 Cb 1.29 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1c2p h PRO 197 CO 0.64 0.42 -0.34 0.78 -0.21 0.00 0.00 178.00 179.29 1c2p h GLY 198 N 0.65 0.95 1.80 -0.55 0.00 -1.92 -1.91 103.07 102.09 1c2p h GLY 198 Ca 0.33 -0.96 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 1c2p h GLY 198 CO -0.11 0.87 -0.36 1.46 0.00 0.00 0.00 176.54 178.39 1c2p h GLN 199 N 0.68 0.22 -0.47 4.80 4.20 -1.65 -1.61 115.11 121.28 1c2p h GLN 199 Ca 0.06 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 1c2p h GLN 199 Cb 0.92 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1c2p h GLN 199 CO 0.08 0.56 0.00 -0.09 -0.67 0.00 0.00 178.83 178.72 1c2p h ARG 200 N 0.19 0.83 -0.63 1.46 2.43 -0.71 -1.48 114.38 116.48 1c2p h ARG 200 Ca 0.02 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 1c2p h ARG 200 Cb 0.73 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1c2p h ARG 200 CO 0.06 0.88 0.21 0.28 -1.51 0.00 0.00 179.97 179.89 1c2p h VAL 201 N 0.69 1.24 -0.35 0.20 2.07 -1.02 -1.81 116.25 117.28 1c2p h VAL 201 Ca 0.13 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1c2p h VAL 201 Cb 0.51 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1c2p h VAL 201 CO 0.02 0.31 0.22 -0.08 0.02 0.00 0.00 177.57 178.07 1c2p h GLU 202 N 0.90 0.47 -0.56 1.57 4.81 -1.04 -1.04 114.58 119.70 1c2p h GLU 202 Ca 0.21 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1c2p h GLU 202 Cb 0.27 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1c2p h GLU 202 CO -0.01 0.33 0.29 0.35 -0.73 0.00 0.00 179.01 179.24 1c2p h PHE 203 N 0.47 0.78 -0.34 0.92 3.57 -1.08 -1.12 116.94 120.14 1c2p h PHE 203 Ca 0.13 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1c2p h PHE 203 Cb -0.03 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1c2p h PHE 203 CO -0.05 0.59 0.12 -0.07 -2.23 0.00 0.00 178.31 176.67 1c2p h LEU 204 N 0.75 0.48 -0.14 0.59 3.38 -1.06 -1.23 115.31 118.08 1c2p h LEU 204 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1c2p h LEU 204 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1c2p h LEU 204 CO -0.03 0.54 0.05 0.58 0.09 0.00 0.00 178.44 179.67 1c2p h VAL 205 N 0.39 1.16 -0.78 1.22 2.07 -1.04 -0.19 116.25 119.09 1c2p h VAL 205 Ca 0.11 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1c2p h VAL 205 Cb 0.22 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1c2p h VAL 205 CO -0.01 0.15 0.49 0.78 0.02 0.00 0.00 177.57 179.00 1c2p h ASN 206 N 0.06 0.92 -0.15 0.57 2.35 -1.21 0.13 115.58 118.24 1c2p h ASN 206 Ca 0.05 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1c2p h ASN 206 Cb 0.19 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1c2p h ASN 206 CO -0.00 0.70 0.07 0.74 -1.65 0.00 0.00 177.43 177.29 1c2p h THR 207 N 1.06 1.13 -0.49 2.81 2.02 -1.06 -0.28 112.91 118.10 1c2p h THR 207 Ca 0.28 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 67.16 1c2p h THR 207 Cb -0.07 1.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1c2p h THR 207 CO -0.06 0.12 0.16 -0.25 0.37 0.00 0.00 175.52 175.86 1c2p h TRP 208 N 0.12 0.27 0.00 3.16 2.91 -0.62 -0.84 115.95 120.95 1c2p h TRP 208 Ca 0.05 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.05 1c2p h TRP 208 Cb 0.12 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.72 1c2p h TRP 208 CO -0.03 0.08 -0.25 0.87 -1.03 0.00 0.00 178.44 178.08 1c2p h LYS 209 N 0.32 0.00 0.00 2.65 1.57 -0.68 -2.87 116.57 117.57 1c2p h LYS 209 Ca 0.23 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1c2p h LYS 209 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1c2p h LYS 209 CO -0.25 0.25 -0.10 0.66 -0.57 0.00 0.00 179.45 179.43 1c2p h SER 210 N 0.00 0.00 -3.64 0.86 4.64 0.45 -3.43 113.55 112.43 1c2p h SER 210 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1c2p h SER 210 Cb 0.49 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1c2p h SER 210 CO 0.03 0.10 0.13 -0.54 -0.87 0.00 0.00 176.83 175.68 1c2p s LYS 211 N -3.81 4.22 -0.00 4.77 -0.14 -1.08 -4.99 119.74 118.71 1c2p s LYS 211 Ca -0.00 0.87 -0.23 0.00 -1.36 0.00 0.00 55.97 55.24 1c2p s LYS 211 Cb 0.11 -2.76 -0.18 0.00 -1.68 0.00 0.00 37.83 33.31 1c2p s LYS 211 CO 0.57 0.33 1.24 0.87 -0.76 0.00 0.00 175.35 177.60 1c2p h LYS 212 N 3.13 0.21 -2.59 1.68 1.57 -1.87 -3.38 116.57 115.32 1c2p h LYS 212 Ca -0.48 -0.13 -0.60 0.00 -1.87 0.00 0.00 60.65 57.57 1c2p h LYS 212 Cb 1.19 0.02 -0.39 0.00 0.08 0.00 0.00 32.23 33.12 1c2p h LYS 212 CO 0.65 0.72 -0.86 -0.80 -0.57 0.00 0.00 179.45 178.59 1c2p s ASN 213 N -6.05 2.47 1.31 0.86 0.01 -1.26 -5.09 114.94 107.19 1c2p s ASN 213 Ca -0.15 -3.17 -0.20 0.00 -0.71 0.00 0.00 52.86 48.63 1c2p s ASN 213 Cb 0.03 -0.75 0.33 0.00 0.41 0.00 0.00 41.25 41.26 1c2p s ASN 213 CO 0.73 -0.17 1.00 -2.16 -1.51 0.00 0.00 177.10 175.00 1c2p s PRO 214 N -0.21 -2.08 0.00 -0.60 0.04 -1.26 -0.28 135.00 130.61 1c2p s PRO 214 Ca 0.29 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1c2p s PRO 214 Cb -0.02 -1.48 0.00 0.00 0.04 0.00 0.00 34.50 33.05 1c2p s PRO 214 CO -0.16 -4.32 0.00 0.41 0.04 0.00 0.00 177.00 172.96 1c2p n GLY 216 N 0.48 0.87 3.43 0.56 0.00 -0.35 -4.70 105.19 105.47 1c2p n GLY 216 Ca 0.11 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 1c2p n GLY 216 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c2p s PHE 217 N -2.00 -0.51 0.02 1.61 -0.71 -0.52 -0.27 117.98 115.60 1c2p s PHE 217 Ca 0.00 0.91 -0.01 0.00 -1.04 0.00 0.00 56.93 56.79 1c2p s PHE 217 Cb 0.00 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 1c2p s PHE 217 CO 0.00 -0.51 0.16 -1.54 -1.34 0.00 0.00 175.22 171.99 1c2p s SER 218 N -1.06 6.13 -0.19 1.98 1.04 -1.26 -1.26 113.70 119.08 1c2p s SER 218 Ca -0.11 0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.58 1c2p s SER 218 Cb -0.02 -1.86 0.02 0.00 0.10 0.00 0.00 66.02 64.26 1c2p s SER 218 CO 0.07 0.23 -0.19 -0.47 0.98 0.00 0.00 173.24 173.87 1c2p s TYR 219 N -1.35 2.83 -0.39 5.02 5.04 -0.15 -4.63 117.35 123.72 1c2p s TYR 219 Ca 0.28 -1.69 -0.13 0.00 -2.44 0.00 0.00 57.07 53.10 1c2p s TYR 219 Cb -0.13 -1.93 0.02 0.00 0.35 0.00 0.00 41.96 40.28 1c2p s TYR 219 CO 0.20 -0.81 0.25 0.34 -1.34 0.00 0.00 175.55 174.19 1c2p s ASP 220 N 1.28 5.90 -0.13 4.32 2.15 -1.26 -4.01 116.67 124.92 1c2p s ASP 220 Ca 0.04 -0.91 -0.25 0.00 0.43 0.00 0.00 52.55 51.86 1c2p s ASP 220 Cb -0.14 -2.08 -0.02 0.00 -0.30 0.00 0.00 42.92 40.38 1c2p s ASP 220 CO -0.12 -0.40 0.81 -0.89 -0.17 0.00 0.00 175.17 174.40 1c2p s THR 221 N 1.62 4.93 -0.02 1.71 2.01 -1.26 -1.03 115.64 123.59 1c2p s THR 221 Ca 0.04 1.61 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 1c2p s THR 221 Cb -0.19 -4.12 -0.07 0.00 0.01 0.00 0.00 72.50 68.13 1c2p s THR 221 CO 0.08 0.10 1.74 -0.60 -0.69 0.00 0.00 174.62 175.25 1c2p s ARG 222 N 1.68 4.17 -1.14 4.92 3.52 -0.64 -3.40 118.95 128.07 1c2p s ARG 222 Ca 0.39 2.32 -0.26 0.00 -0.13 0.00 0.00 55.73 58.04 1c2p s ARG 222 Cb -0.17 -3.99 0.02 0.00 -1.56 0.00 0.00 34.95 29.25 1c2p s ARG 222 CO 0.15 -0.86 0.72 0.00 -0.81 0.00 0.00 175.30 174.50 1c2p h PHE 224 N -2.10 -0.49 -0.98 0.00 3.04 -1.95 0.70 116.94 115.16 1c2p h PHE 224 Ca -0.68 0.08 0.16 0.00 3.98 0.00 0.00 57.97 61.51 1c2p h PHE 224 Cb 1.38 0.35 -0.09 0.00 2.56 0.00 0.00 35.95 40.15 1c2p h PHE 224 CO 0.34 -0.37 0.61 -0.44 -2.02 0.00 0.00 178.31 176.44 1c2p h ASP 225 N -0.01 0.79 1.37 0.41 5.19 -1.92 0.48 116.42 122.73 1c2p h ASP 225 Ca 0.40 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.85 1c2p h ASP 225 Cb 0.62 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 1c2p h ASP 225 CO -0.88 0.35 -0.14 0.28 -3.12 0.00 0.00 179.24 175.73 1c2p h SER 226 N 0.80 0.00 1.55 6.45 0.02 -1.18 -2.71 113.55 118.48 1c2p h SER 226 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1c2p h SER 226 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1c2p h SER 226 CO -0.30 0.14 0.00 0.71 -1.14 0.00 0.00 176.83 176.24 1c2p h THR 227 N 0.00 0.00 -2.80 -2.27 1.35 -0.62 -3.45 112.91 105.12 1c2p h THR 227 Ca -0.00 -0.55 -0.56 0.00 -0.55 0.00 0.00 66.41 64.75 1c2p h THR 227 Cb 0.86 1.55 -0.03 0.00 -1.73 0.00 0.00 68.15 68.80 1c2p h THR 227 CO 0.02 0.00 1.04 -0.69 -0.25 0.00 0.00 175.52 175.63 1c2p s VAL 228 N -3.12 3.88 0.57 6.82 1.01 -1.08 -4.83 120.40 123.65 1c2p s VAL 228 Ca 0.10 1.03 0.04 0.00 0.00 0.00 0.00 61.98 63.16 1c2p s VAL 228 Cb 0.11 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1c2p s VAL 228 CO 0.61 -0.20 0.79 0.42 0.00 0.00 0.00 175.10 176.72 1c2p s THR 229 N 4.30 2.46 0.26 3.92 -4.23 -1.26 -3.82 115.64 117.27 1c2p s THR 229 Ca 0.66 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 60.34 1c2p s THR 229 Cb -0.25 -2.65 0.11 0.00 1.34 0.00 0.00 72.50 71.05 1c2p s THR 229 CO 0.24 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 176.01 1c2p h GLU 230 N 0.06 0.78 -0.05 3.99 4.81 -1.89 -1.80 114.58 120.47 1c2p h GLU 230 Ca -0.37 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 58.68 1c2p h GLU 230 Cb 1.28 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1c2p h GLU 230 CO 0.44 0.79 -0.13 -0.97 -0.73 0.00 0.00 179.01 178.41 1c2p h ASN 231 N 0.72 -0.40 -0.50 1.04 -1.24 -1.97 -1.08 115.58 112.15 1c2p h ASN 231 Ca 0.14 0.07 0.08 0.00 0.71 0.00 0.00 56.30 57.30 1c2p h ASN 231 Cb 0.45 0.18 -0.07 0.00 0.73 0.00 0.00 38.32 39.61 1c2p h ASN 231 CO 0.02 -0.18 0.11 0.44 -1.29 0.00 0.00 177.43 176.53 1c2p h ASP 232 N -0.20 0.03 -0.03 1.15 3.32 -1.78 1.00 116.42 119.90 1c2p h ASP 232 Ca 0.06 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1c2p h ASP 232 Cb 0.29 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1c2p h ASP 232 CO -0.17 0.04 -0.23 0.40 -1.72 0.00 0.00 179.24 177.57 1c2p h ILE 233 N 0.25 1.25 -0.04 0.35 2.04 -1.02 -0.96 117.51 119.39 1c2p h ILE 233 Ca 0.25 -1.19 -0.20 0.00 1.00 0.00 0.00 64.86 64.72 1c2p h ILE 233 Cb 0.33 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1c2p h ILE 233 CO -0.32 0.38 -0.83 0.03 0.00 0.00 0.00 178.15 177.41 1c2p h ARG 234 N 0.39 0.38 -0.74 2.37 3.08 -0.59 -2.41 114.38 116.86 1c2p h ARG 234 Ca 0.06 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 1c2p h ARG 234 Cb 0.61 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 1c2p h ARG 234 CO 0.04 1.02 0.26 0.28 -1.07 0.00 0.00 179.97 180.50 1c2p h VAL 235 N 0.23 1.25 -0.47 2.04 2.07 -0.39 -1.49 116.25 119.51 1c2p h VAL 235 Ca -0.05 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1c2p h VAL 235 Cb 1.44 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1c2p h VAL 235 CO 0.14 0.34 0.29 -0.33 0.02 0.00 0.00 177.57 178.03 1c2p h GLU 236 N 1.08 0.63 -0.50 1.57 5.08 -1.11 -2.12 114.58 119.22 1c2p h GLU 236 Ca 0.24 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1c2p h GLU 236 Cb 0.26 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1c2p h GLU 236 CO -0.01 0.46 0.12 1.49 -1.00 0.00 0.00 179.01 180.06 1c2p h GLU 237 N 0.62 0.75 -0.09 2.33 4.81 -0.93 -1.41 114.58 120.67 1c2p h GLU 237 Ca 0.17 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1c2p h GLU 237 Cb -0.02 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1c2p h GLU 237 CO -0.03 0.68 -0.18 0.66 -0.73 0.00 0.00 179.01 179.41 1c2p h SER 238 N 0.73 0.13 -0.07 1.04 4.64 -0.74 0.13 113.55 119.41 1c2p h SER 238 Ca 0.16 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1c2p h SER 238 Cb 0.27 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1c2p h SER 238 CO -0.00 0.33 -0.17 0.40 -0.87 0.00 0.00 176.83 176.52 1c2p h ILE 239 N 0.13 1.42 -0.87 0.95 2.04 -0.73 -2.99 117.51 117.47 1c2p h ILE 239 Ca 0.03 -1.49 0.07 0.00 1.00 0.00 0.00 64.86 64.46 1c2p h ILE 239 Cb 0.40 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 38.63 1c2p h ILE 239 CO 0.03 0.42 0.54 1.88 0.00 0.00 0.00 178.15 181.01 1c2p h TYR 240 N -0.25 0.99 0.00 1.37 0.05 -0.77 -1.03 116.97 117.33 1c2p h TYR 240 Ca -0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1c2p h TYR 240 Cb 0.76 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1c2p h TYR 240 CO 0.12 0.49 0.00 1.04 -1.05 0.00 0.00 178.16 178.75 1c2p n GLN 241 N -4.63 0.11 0.22 4.88 1.13 -0.01 -2.02 117.38 117.06 1c2p n GLN 241 Ca 0.13 0.43 0.08 0.00 -1.94 0.00 0.00 57.00 55.70 1c2p n GLN 241 Cb 0.19 -1.75 0.49 0.00 0.11 0.00 0.00 30.24 29.28 1c2p n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1c2p s ASP 244 N -2.39 6.64 0.16 0.00 -1.08 0.28 -4.97 116.67 115.31 1c2p s ASP 244 Ca 0.70 0.48 0.07 0.00 -0.52 0.00 0.00 52.55 53.27 1c2p s ASP 244 Cb -0.25 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.62 1c2p s ASP 244 CO 0.48 -1.22 -0.14 -0.76 0.52 0.00 0.00 175.17 174.06 1c2p s LEU 245 N 4.36 2.48 0.42 -1.34 1.43 -1.26 -2.02 118.68 122.74 1c2p s LEU 245 Ca 0.47 -0.92 -0.24 0.00 -1.03 0.00 0.00 54.13 52.42 1c2p s LEU 245 Cb -0.08 -0.60 -0.08 0.00 0.03 0.00 0.00 46.19 45.47 1c2p s LEU 245 CO 0.30 -0.17 1.10 0.00 0.23 0.00 0.00 176.35 177.82 1c2p s ALA 246 N -2.59 3.05 0.26 4.21 0.00 -1.26 -4.87 121.76 120.56 1c2p s ALA 246 Ca 0.15 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 1c2p s ALA 246 Cb -0.02 -3.32 0.55 0.00 0.00 0.00 0.00 23.12 20.33 1c2p s ALA 246 CO 0.04 -0.40 1.70 -1.35 0.00 0.00 0.00 175.76 175.75 1c2p h PRO 247 N 2.32 0.34 -0.65 0.00 0.11 -2.00 -0.28 132.00 131.84 1c2p h PRO 247 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1c2p h PRO 247 Cb 1.23 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1c2p h PRO 247 CO 0.61 0.23 0.35 1.49 -0.21 0.00 0.00 178.00 180.47 1c2p h GLU 248 N 0.36 0.90 -0.56 1.05 4.81 -1.99 -1.64 114.58 117.51 1c2p h GLU 248 Ca 0.47 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.49 1c2p h GLU 248 Cb 0.81 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1c2p h GLU 248 CO -0.50 0.67 -0.08 0.00 -0.73 0.00 0.00 179.01 178.37 1c2p h ALA 249 N 1.48 0.80 -0.76 2.92 0.00 -1.44 0.24 119.26 122.50 1c2p h ALA 249 Ca 0.23 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1c2p h ALA 249 Cb 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1c2p h ALA 249 CO -0.04 0.67 0.25 0.00 0.00 0.00 0.00 179.25 180.13 1c2p h ARG 250 N 0.92 1.17 -0.13 0.00 3.08 -0.75 0.03 114.38 118.70 1c2p h ARG 250 Ca 0.15 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1c2p h ARG 250 Cb 0.64 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1c2p h ARG 250 CO 0.04 0.98 -0.02 0.37 -1.07 0.00 0.00 179.97 180.28 1c2p h GLN 251 N 1.12 0.24 -0.93 0.04 5.75 -1.00 -1.78 115.11 118.55 1c2p h GLN 251 Ca 0.25 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1c2p h GLN 251 Cb 0.29 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 1c2p h GLN 251 CO -0.01 0.52 0.61 0.00 -2.65 0.00 0.00 178.83 177.30 1c2p h ALA 252 N 0.72 1.35 -0.43 3.38 0.00 -0.72 -0.74 119.26 122.80 1c2p h ALA 252 Ca 0.03 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1c2p h ALA 252 Cb 0.42 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1c2p h ALA 252 CO 0.01 0.60 -0.25 0.82 0.00 0.00 0.00 179.25 180.43 1c2p h ILE 253 N 1.25 1.27 -0.25 0.00 2.04 -0.88 -0.12 117.51 120.82 1c2p h ILE 253 Ca 0.34 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1c2p h ILE 253 Cb -0.12 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1c2p h ILE 253 CO -0.08 0.48 0.06 0.50 0.00 0.00 0.00 178.15 179.11 1c2p h LYS 254 N 0.78 0.39 -0.21 2.37 3.64 -0.75 -1.68 116.57 121.11 1c2p h LYS 254 Ca 0.10 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1c2p h LYS 254 Cb 0.81 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1c2p h LYS 254 CO 0.07 0.49 0.11 1.03 -2.27 0.00 0.00 179.45 178.89 1c2p h SER 255 N 0.23 0.26 -0.02 4.20 0.87 -1.06 -1.23 113.55 116.80 1c2p h SER 255 Ca 0.08 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1c2p h SER 255 Cb 0.27 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1c2p h SER 255 CO 0.00 0.27 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.41 1c2p h LEU 256 N 0.23 0.24 -0.25 2.23 3.38 -1.01 0.94 115.31 121.07 1c2p h LEU 256 Ca 0.07 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1c2p h LEU 256 Cb 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1c2p h LEU 256 CO -0.01 0.37 -0.27 0.74 0.09 0.00 0.00 178.44 179.35 1c2p h THR 257 N 0.25 1.31 -0.18 0.22 2.02 -0.73 -0.51 112.91 115.28 1c2p h THR 257 Ca 0.05 -1.44 -0.09 0.00 0.77 0.00 0.00 66.41 65.70 1c2p h THR 257 Cb 0.32 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1c2p h THR 257 CO 0.02 0.45 -0.22 -0.33 0.37 0.00 0.00 175.52 175.81 1c2p h GLU 258 N 0.34 0.48 0.00 6.66 4.39 -0.71 -1.96 114.58 123.77 1c2p h GLU 258 Ca 0.04 -0.27 -0.06 0.00 0.34 0.00 0.00 59.36 59.41 1c2p h GLU 258 Cb 0.83 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1c2p h GLU 258 CO 0.07 0.85 -0.83 0.00 -1.16 0.00 0.00 179.01 177.93 1c2p h ARG 259 N 0.13 0.00 0.00 2.33 3.08 -0.92 -3.43 114.38 115.58 1c2p h ARG 259 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1c2p h ARG 259 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1c2p h ARG 259 CO 0.05 0.15 -0.13 -0.11 -1.07 0.00 0.00 179.97 178.87 1c2p n LEU 260 N -2.90 0.44 -0.23 3.04 7.94 -0.42 -0.65 117.00 124.21 1c2p n LEU 260 Ca -0.01 0.23 -0.04 0.00 -1.11 0.00 0.00 56.01 55.08 1c2p n LEU 260 Cb 0.65 -0.01 0.07 0.00 0.53 0.00 0.00 43.42 44.66 1c2p n LEU 260 CO 0.40 -0.65 1.12 1.88 -1.11 0.00 0.00 177.39 179.03 1c2p h TYR 261 N 0.00 0.75 -0.30 1.96 0.05 -1.18 -2.66 116.97 115.60 1c2p h TYR 261 Ca 0.00 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 1c2p h TYR 261 Cb 0.13 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1c2p h TYR 261 CO 0.00 0.42 -0.18 0.82 -1.05 0.00 0.00 178.16 178.17 1c2p h ILE 262 N 0.78 1.25 0.00 -2.88 2.04 -1.61 -3.42 117.51 113.67 1c2p h ILE 262 Ca 0.27 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1c2p h ILE 262 Cb 0.04 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1c2p h ILE 262 CO -0.11 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.02 1c2p n GLY 263 N -0.48 -2.24 0.00 5.37 0.00 -1.00 -3.93 105.19 102.90 1c2p n GLY 263 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1c2p n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2p n GLY 264 N -0.60 1.19 3.80 -0.02 0.00 -0.79 -4.19 105.19 104.57 1c2p n GLY 264 Ca 0.00 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 1c2p n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c2p s PRO 265 N -2.00 3.65 -0.20 1.61 0.04 -1.26 -1.38 135.00 135.46 1c2p s PRO 265 Ca 0.00 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 1c2p s PRO 265 Cb 0.00 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1c2p s PRO 265 CO 0.00 -0.55 -0.04 -0.51 0.04 0.00 0.00 177.00 175.94 1c2p s LEU 266 N -3.76 3.02 -0.09 -3.56 1.43 -0.27 -2.56 118.68 112.90 1c2p s LEU 266 Ca 0.67 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1c2p s LEU 266 Cb -0.17 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1c2p s LEU 266 CO 0.25 0.04 -0.21 -0.89 0.23 0.00 0.00 176.35 175.77 1c2p s THR 267 N 1.12 2.40 0.94 5.49 2.01 0.14 -0.07 115.64 127.67 1c2p s THR 267 Ca 0.02 -0.92 -0.15 0.00 0.31 0.00 0.00 61.69 60.94 1c2p s THR 267 Cb -0.15 -1.93 0.18 0.00 0.01 0.00 0.00 72.50 70.62 1c2p s THR 267 CO 0.00 0.56 1.29 0.54 -0.69 0.00 0.00 174.62 176.32 1c2p s ASN 268 N 0.06 3.29 0.58 3.53 2.20 0.04 -1.69 114.94 122.95 1c2p s ASN 268 Ca -0.09 0.38 0.34 0.00 -0.94 0.00 0.00 52.86 52.55 1c2p s ASN 268 Cb -0.15 -0.51 1.77 0.00 -2.00 0.00 0.00 41.25 40.35 1c2p s ASN 268 CO 0.06 -2.64 2.17 0.77 -2.94 0.00 0.00 177.10 174.52 1c2p h SER 269 N -1.57 0.00 0.10 3.54 4.64 -1.78 -1.25 113.55 117.23 1c2p h SER 269 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1c2p h SER 269 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1c2p h SER 269 CO 0.43 0.05 -0.06 0.29 -0.87 0.00 0.00 176.83 176.68 1c2p n LYS 270 N -3.42 1.20 -0.50 4.77 5.02 -1.26 -4.92 118.16 119.05 1c2p n LYS 270 Ca -0.02 -0.54 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 1c2p n LYS 270 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1c2p n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c2p n GLY 271 N 1.18 0.74 3.87 0.72 0.00 -0.47 -5.07 105.19 106.17 1c2p n GLY 271 Ca 0.18 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1c2p n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1c2p s GLN 272 N -0.53 3.80 -0.22 1.61 -0.21 -1.26 -4.81 119.66 118.03 1c2p s GLN 272 Ca 0.00 0.25 -0.29 0.00 0.02 0.00 0.00 55.36 55.34 1c2p s GLN 272 Cb 0.00 -2.73 0.01 0.00 1.00 0.00 0.00 33.01 31.29 1c2p s GLN 272 CO 0.00 0.37 1.07 1.21 -2.12 0.00 0.00 175.29 175.82 1c2p s ASN 273 N -2.26 7.07 0.11 5.90 3.04 -1.26 -0.78 114.94 126.76 1c2p s ASN 273 Ca 0.45 1.41 0.21 0.00 0.04 0.00 0.00 52.86 54.97 1c2p s ASN 273 Cb -0.12 -2.54 -0.11 0.00 -1.54 0.00 0.00 41.25 36.94 1c2p s ASN 273 CO 0.21 -0.69 0.84 0.00 -3.04 0.00 0.00 177.10 174.42 1c2p n GLY 275 N 1.25 -0.25 2.94 0.00 0.00 -1.18 -1.21 105.19 106.73 1c2p n GLY 275 Ca -0.04 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 1c2p n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c2p s TYR 276 N -3.58 0.34 -0.09 1.61 5.04 0.24 -1.12 117.35 119.78 1c2p s TYR 276 Ca 0.00 -0.08 -0.02 0.00 -2.44 0.00 0.00 57.07 54.53 1c2p s TYR 276 Cb 0.00 -0.22 -0.03 0.00 0.35 0.00 0.00 41.96 42.06 1c2p s TYR 276 CO 0.00 -0.01 0.01 0.50 -1.34 0.00 0.00 175.55 174.71 1c2p s ARG 277 N -0.13 3.03 -0.08 4.97 3.52 -0.48 -1.77 118.95 128.01 1c2p s ARG 277 Ca 0.01 -0.39 0.22 0.00 -0.13 0.00 0.00 55.73 55.44 1c2p s ARG 277 Cb -0.02 -2.82 0.44 0.00 -1.56 0.00 0.00 34.95 30.99 1c2p s ARG 277 CO -0.00 0.70 1.17 0.54 -0.81 0.00 0.00 175.30 176.90 1c2p n ARG 278 N 2.17 0.58 -2.76 5.12 1.74 0.09 -1.89 116.66 121.71 1c2p n ARG 278 Ca -0.19 -2.47 -0.07 0.00 -0.77 0.00 0.00 57.85 54.36 1c2p n ARG 278 Cb 0.54 -0.54 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1c2p n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c2p n ARG 280 N -0.22 2.67 -2.84 0.00 3.00 -1.03 -4.66 116.66 113.57 1c2p n ARG 280 Ca 0.03 0.95 -0.41 0.00 -0.00 0.00 0.00 57.85 58.42 1c2p n ARG 280 Cb 0.21 -2.74 -0.04 0.00 0.00 0.00 0.00 32.46 29.89 1c2p n ARG 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1c2p s ALA 281 N 0.28 3.26 -0.83 5.13 0.00 -1.26 -4.81 121.76 123.52 1c2p s ALA 281 Ca 0.67 0.35 0.24 0.00 0.00 0.00 0.00 51.96 53.23 1c2p s ALA 281 Cb -0.51 -3.20 0.95 0.00 0.00 0.00 0.00 23.12 20.36 1c2p s ALA 281 CO 0.45 -0.23 1.76 -1.13 0.00 0.00 0.00 175.76 176.60 1c2p n SER 282 N 4.01 0.36 -2.57 0.00 3.41 -1.25 -4.06 113.62 113.51 1c2p n SER 282 Ca 0.03 0.55 -0.25 0.00 -0.26 0.00 0.00 58.87 58.94 1c2p n SER 282 Cb 0.51 -0.64 -0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1c2p n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c2p n GLY 283 N 0.90 5.53 3.33 5.00 0.00 0.64 -4.36 105.19 116.22 1c2p n GLY 283 Ca 0.05 -2.63 -0.18 0.00 0.00 0.00 0.00 46.02 43.26 1c2p n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c2p s VAL 284 N -5.13 1.52 0.32 1.61 -7.23 -1.14 -4.37 120.40 105.98 1c2p s VAL 284 Ca 0.46 -2.15 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 1c2p s VAL 284 Cb 0.39 -2.08 0.31 0.00 0.56 0.00 0.00 36.38 35.55 1c2p s VAL 284 CO -0.16 -0.57 1.83 0.25 -0.31 0.00 0.00 175.10 176.14 1c2p h LEU 285 N 2.56 0.77 -0.22 1.32 5.85 -1.79 -2.04 115.31 121.77 1c2p h LEU 285 Ca -0.38 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1c2p h LEU 285 Cb 1.22 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1c2p h LEU 285 CO 0.63 0.36 0.00 0.35 -0.34 0.00 0.00 178.44 179.45 1c2p n THR 286 N -4.63 0.03 -0.14 1.05 -2.24 -1.26 -4.26 114.28 102.83 1c2p n THR 286 Ca 0.20 -0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.86 1c2p n THR 286 Cb 0.47 -0.20 0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1c2p n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1c2p h THR 287 N 0.46 0.90 0.23 4.28 2.02 -1.63 0.90 112.91 120.09 1c2p h THR 287 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1c2p h THR 287 Cb 0.10 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1c2p h THR 287 CO 0.00 0.07 -0.11 -1.28 0.37 0.00 0.00 175.52 174.57 1c2p h SER 288 N 0.37 -0.26 -0.29 4.18 0.87 -1.74 -2.13 113.55 114.55 1c2p h SER 288 Ca 0.20 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1c2p h SER 288 Cb 0.16 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1c2p h SER 288 CO -0.18 0.17 0.17 0.00 -0.53 0.00 0.00 176.83 176.46 1c2p h GLY 290 N 0.36 0.66 1.04 0.00 0.00 -0.90 0.25 103.07 104.48 1c2p h GLY 290 Ca 0.10 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1c2p h GLY 290 CO -0.02 0.23 0.16 3.43 0.00 0.00 0.00 176.54 180.34 1c2p h ASN 291 N 0.62 1.00 -0.11 0.19 2.35 -1.22 -0.69 115.58 117.72 1c2p h ASN 291 Ca 0.17 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1c2p h ASN 291 Cb -0.06 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.04 1c2p h ASN 291 CO -0.04 0.98 0.04 0.74 -1.65 0.00 0.00 177.43 177.49 1c2p h THR 292 N 0.98 1.17 0.01 2.81 2.02 -0.85 0.15 112.91 119.19 1c2p h THR 292 Ca 0.21 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.89 1c2p h THR 292 Cb 0.37 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1c2p h THR 292 CO 0.00 0.15 -0.06 -0.07 0.37 0.00 0.00 175.52 175.91 1c2p h LEU 293 N 0.00 -0.16 -0.84 2.58 3.38 -0.81 0.16 115.31 119.62 1c2p h LEU 293 Ca 0.04 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1c2p h LEU 293 Cb 0.20 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1c2p h LEU 293 CO -0.00 -0.09 0.09 0.74 0.09 0.00 0.00 178.44 179.27 1c2p h THR 294 N -0.11 1.25 -0.37 0.22 2.02 -1.11 0.27 112.91 115.07 1c2p h THR 294 Ca 0.02 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.16 1c2p h THR 294 Cb 0.13 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1c2p h THR 294 CO -0.05 0.36 -0.00 0.00 0.37 0.00 0.00 175.52 176.19 1c2p h TYR 296 N 0.48 0.60 0.72 0.00 3.20 -0.45 -1.07 116.97 120.45 1c2p h TYR 296 Ca 0.11 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1c2p h TYR 296 Cb 0.47 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 1c2p h TYR 296 CO 0.04 0.46 -0.40 1.25 -1.64 0.00 0.00 178.16 177.86 1c2p h LEU 297 N 0.57 -1.00 -1.05 2.82 5.85 -0.86 -0.40 115.31 121.24 1c2p h LEU 297 Ca 0.15 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1c2p h LEU 297 Cb 0.06 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1c2p h LEU 297 CO -0.02 -0.65 0.48 0.11 -0.34 0.00 0.00 178.44 178.02 1c2p h LYS 298 N -1.04 1.14 -0.27 1.25 1.57 -1.36 -2.11 116.57 115.75 1c2p h LYS 298 Ca -0.09 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.46 1c2p h LYS 298 Cb 0.83 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1c2p h LYS 298 CO 0.12 0.82 -0.29 0.00 -0.57 0.00 0.00 179.45 179.52 1c2p h ALA 299 N 1.37 0.40 -0.27 3.86 0.00 -1.14 -1.36 119.26 122.11 1c2p h ALA 299 Ca 0.30 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1c2p h ALA 299 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1c2p h ALA 299 CO -0.05 0.42 0.11 0.77 0.00 0.00 0.00 179.25 180.50 1c2p h SER 300 N 0.40 0.15 -0.51 0.00 0.02 -0.89 -0.16 113.55 112.56 1c2p h SER 300 Ca 0.04 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1c2p h SER 300 Cb 0.87 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 1c2p h SER 300 CO 0.07 0.12 0.16 0.00 -1.14 0.00 0.00 176.83 176.04 1c2p h ALA 301 N 1.15 1.22 -0.30 3.77 0.00 -1.40 -2.50 119.26 121.19 1c2p h ALA 301 Ca 0.11 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1c2p h ALA 301 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1c2p h ALA 301 CO -0.10 0.54 -0.33 0.00 0.00 0.00 0.00 179.25 179.36 1c2p h ALA 302 N 1.34 0.84 -0.38 0.00 0.00 -0.56 -1.85 119.26 118.66 1c2p h ALA 302 Ca 0.18 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1c2p h ALA 302 Cb 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1c2p h ALA 302 CO -0.01 0.64 0.20 0.00 0.00 0.00 0.00 179.25 180.08 1c2p h ARG 304 N 0.41 0.61 -0.63 0.00 3.08 -1.23 -0.74 114.38 115.88 1c2p h ARG 304 Ca 0.16 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1c2p h ARG 304 Cb 0.05 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1c2p h ARG 304 CO -0.10 0.40 0.27 0.00 -1.07 0.00 0.00 179.97 179.48 1c2p h ALA 305 N 1.20 1.31 -0.00 0.04 0.00 -0.75 -1.38 119.26 119.68 1c2p h ALA 305 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1c2p h ALA 305 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1c2p h ALA 305 CO -0.07 0.53 -0.13 0.00 0.00 0.00 0.00 179.25 179.58 1c2p n ALA 306 N -2.45 2.74 -3.05 0.00 0.00 0.21 -4.93 120.51 113.03 1c2p n ALA 306 Ca 0.06 -0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.08 1c2p n ALA 306 Cb 0.15 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.29 1c2p n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c2p n LYS 307 N -1.20 -4.90 -2.10 0.00 5.02 -0.36 -4.90 118.16 109.72 1c2p n LYS 307 Ca 0.11 0.75 -0.41 0.00 -2.02 0.00 0.00 58.31 56.75 1c2p n LYS 307 Cb 0.29 -5.35 -0.03 0.00 -0.02 0.00 0.00 35.03 29.93 1c2p n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1c2p s LEU 308 N -5.90 4.40 -0.13 -0.35 1.02 -0.75 -4.99 118.68 111.99 1c2p s LEU 308 Ca 0.33 2.58 -0.20 0.00 0.02 0.00 0.00 54.13 56.86 1c2p s LEU 308 Cb -0.14 -3.62 -0.04 0.00 0.02 0.00 0.00 46.19 42.41 1c2p s LEU 308 CO 0.40 -0.62 0.55 -1.10 0.02 0.00 0.00 176.35 175.61 1c2p s GLN 309 N -0.50 4.31 -1.08 1.70 -1.52 -1.26 -4.54 119.66 116.77 1c2p s GLN 309 Ca 0.57 0.55 -0.20 0.00 -1.95 0.00 0.00 55.36 54.33 1c2p s GLN 309 Cb -0.40 -3.48 0.01 0.00 -0.22 0.00 0.00 33.01 28.92 1c2p s GLN 309 CO 0.43 0.03 0.73 -3.47 -0.25 0.00 0.00 175.29 172.75 1c2p n ASP 310 N 4.10 -5.12 -4.77 5.90 2.03 -1.26 -0.75 116.55 116.67 1c2p n ASP 310 Ca -0.05 -1.02 -0.38 0.00 0.52 0.00 0.00 54.79 53.86 1c2p n ASP 310 Cb 0.51 -2.78 -0.06 0.00 -0.72 0.00 0.00 41.12 38.07 1c2p n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c2p s THR 312 N -1.38 0.81 -0.30 0.00 2.01 0.14 -5.00 115.64 111.93 1c2p s THR 312 Ca 0.44 -2.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.29 1c2p s THR 312 Cb -0.22 -2.59 0.18 0.00 0.01 0.00 0.00 72.50 69.87 1c2p s THR 312 CO 0.27 0.00 1.09 -0.22 -0.69 0.00 0.00 174.62 175.07 1c2p s LEU 314 N -3.49 -0.41 -0.07 4.42 2.96 -0.37 -1.10 118.68 120.63 1c2p s LEU 314 Ca 0.32 0.44 0.05 0.00 -0.22 0.00 0.00 54.13 54.73 1c2p s LEU 314 Cb 0.06 1.42 -0.01 0.00 0.50 0.00 0.00 46.19 48.16 1c2p s LEU 314 CO 0.15 -0.08 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.17 1c2p s VAL 315 N 2.52 2.05 -0.38 1.68 1.01 -0.15 -2.18 120.40 124.96 1c2p s VAL 315 Ca -0.01 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1c2p s VAL 315 Cb -0.06 -1.75 0.13 0.00 0.00 0.00 0.00 36.38 34.70 1c2p s VAL 315 CO -0.15 0.57 0.19 0.20 0.00 0.00 0.00 175.10 175.91 1c2p s ASN 316 N -0.01 3.59 1.78 3.32 -0.87 -0.52 -0.45 114.94 121.78 1c2p s ASN 316 Ca -0.08 -2.20 0.00 0.00 -1.57 0.00 0.00 52.86 49.01 1c2p s ASN 316 Cb -0.15 -0.81 0.00 0.00 -0.02 0.00 0.00 41.25 40.27 1c2p s ASN 316 CO 0.05 -0.32 0.00 0.61 -2.57 0.00 0.00 177.10 174.87 1c2p n GLY 317 N 4.09 3.46 0.39 0.66 0.00 -1.26 -1.35 105.19 111.18 1c2p n GLY 317 Ca 0.06 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1c2p n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1c2p n ASP 318 N 7.37 1.21 -4.69 1.61 5.75 -1.26 -3.73 116.55 122.80 1c2p n ASP 318 Ca 0.00 -1.51 -0.37 0.00 -0.01 0.00 0.00 54.79 52.89 1c2p n ASP 318 Cb 0.00 -0.04 -0.07 0.00 -1.03 0.00 0.00 41.12 39.98 1c2p n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1c2p s ASP 319 N -1.78 6.45 -0.02 -1.12 -1.08 -0.46 -4.63 116.67 114.03 1c2p s ASP 319 Ca 0.36 0.53 0.03 0.00 -0.52 0.00 0.00 52.55 52.94 1c2p s ASP 319 Cb 0.19 -2.22 -0.00 0.00 -1.46 0.00 0.00 42.92 39.43 1c2p s ASP 319 CO 0.30 -0.00 -0.09 -0.22 0.52 0.00 0.00 175.17 175.68 1c2p s LEU 320 N 0.93 1.88 -0.01 -1.34 2.96 -1.26 -1.44 118.68 120.40 1c2p s LEU 320 Ca 0.18 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1c2p s LEU 320 Cb -0.14 -0.50 0.01 0.00 0.50 0.00 0.00 46.19 46.06 1c2p s LEU 320 CO 0.07 0.08 -0.04 0.54 -1.32 0.00 0.00 176.35 175.68 1c2p s VAL 321 N 0.03 0.34 -0.04 1.68 0.11 -0.92 -0.98 120.40 120.62 1c2p s VAL 321 Ca -0.00 -0.13 0.04 0.00 -2.93 0.00 0.00 61.98 58.96 1c2p s VAL 321 Cb -0.06 -0.33 -0.00 0.00 -1.53 0.00 0.00 36.38 34.46 1c2p s VAL 321 CO 0.00 0.12 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.03 1c2p s VAL 322 N 0.23 1.40 -0.09 2.04 1.01 -0.39 -1.23 120.40 123.37 1c2p s VAL 322 Ca -0.02 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1c2p s VAL 322 Cb -0.06 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1c2p s VAL 322 CO -0.00 0.40 -0.20 -0.63 0.00 0.00 0.00 175.10 174.67 1c2p s ILE 323 N -0.02 1.80 0.15 2.22 1.01 -0.26 -1.44 121.20 124.66 1c2p s ILE 323 Ca -0.02 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 1c2p s ILE 323 Cb -0.11 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1c2p s ILE 323 CO 0.02 0.50 0.20 0.00 0.00 0.00 0.00 174.94 175.65 1c2p s GLU 325 N -2.37 4.44 0.53 0.00 0.41 0.07 -4.32 118.70 117.44 1c2p s GLU 325 Ca 0.13 0.98 -0.20 0.00 -0.41 0.00 0.00 54.97 55.48 1c2p s GLU 325 Cb -0.00 -3.47 -0.07 0.00 -1.78 0.00 0.00 34.13 28.82 1c2p s GLU 325 CO 0.09 -0.00 1.10 0.45 -0.49 0.00 0.00 175.26 176.41 1c2p s SER 326 N 0.88 5.92 -0.13 -0.19 0.15 0.62 -4.44 113.70 116.50 1c2p s SER 326 Ca 0.40 2.09 0.18 0.00 0.70 0.00 0.00 55.95 59.31 1c2p s SER 326 Cb -0.18 -2.57 0.30 0.00 -1.71 0.00 0.00 66.02 61.85 1c2p s SER 326 CO 0.19 -1.08 1.15 0.00 1.20 0.00 0.00 173.24 174.71 1c2p n ALA 327 N -1.21 2.40 0.00 5.45 0.00 -1.26 -4.94 120.51 120.95 1c2p n ALA 327 Ca 0.11 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 50.89 1c2p n ALA 327 Cb 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1c2p n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c2p n GLY 328 N -1.36 2.44 0.25 0.00 0.00 -1.26 -4.51 105.19 100.75 1c2p n GLY 328 Ca 0.16 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.49 1c2p n GLY 328 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c2p h VAL 329 N 0.00 0.45 -0.66 1.61 3.04 -1.99 0.68 116.25 119.38 1c2p h VAL 329 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1c2p h VAL 329 Cb 0.00 0.45 -0.03 0.00 -2.01 0.00 0.00 31.29 29.70 1c2p h VAL 329 CO 0.00 0.00 0.39 1.56 -1.01 0.00 0.00 177.57 178.51 1c2p h GLN 330 N -0.19 0.90 -0.46 4.17 1.08 -2.00 -2.30 115.11 116.30 1c2p h GLN 330 Ca 0.14 -0.09 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 1c2p h GLN 330 Cb 0.41 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1c2p h GLN 330 CO -0.38 0.66 -0.08 1.49 -0.95 0.00 0.00 178.83 179.58 1c2p h GLU 331 N 0.90 0.82 -0.81 1.46 4.57 -1.67 -2.58 114.58 117.27 1c2p h GLU 331 Ca 0.24 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1c2p h GLU 331 Cb -0.00 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 1c2p h GLU 331 CO -0.04 0.87 0.44 -0.44 -1.18 0.00 0.00 179.01 178.66 1c2p h ASP 332 N 0.75 1.01 -0.84 1.04 3.32 -0.50 0.11 116.42 121.31 1c2p h ASP 332 Ca 0.13 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1c2p h ASP 332 Cb 0.56 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1c2p h ASP 332 CO 0.03 0.82 0.41 0.00 -1.72 0.00 0.00 179.24 178.78 1c2p h ALA 333 N 1.35 1.08 -0.42 3.45 0.00 -1.09 -1.37 119.26 122.26 1c2p h ALA 333 Ca 0.28 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1c2p h ALA 333 Cb 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1c2p h ALA 333 CO -0.04 0.64 0.02 0.00 0.00 0.00 0.00 179.25 179.87 1c2p h ALA 334 N 1.22 0.57 -0.74 0.00 0.00 -0.91 -2.83 119.26 116.57 1c2p h ALA 334 Ca 0.29 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1c2p h ALA 334 Cb 0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1c2p h ALA 334 CO -0.04 0.33 0.49 0.77 0.00 0.00 0.00 179.25 180.80 1c2p h SER 335 N 0.57 0.84 -0.21 0.00 0.02 -0.30 -2.45 113.55 112.02 1c2p h SER 335 Ca 0.12 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 1c2p h SER 335 Cb 0.45 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1c2p h SER 335 CO 0.02 0.60 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.90 1c2p h LEU 336 N 0.99 0.76 -0.89 5.07 3.38 -1.09 0.44 115.31 123.97 1c2p h LEU 336 Ca 0.27 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1c2p h LEU 336 Cb -0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1c2p h LEU 336 CO -0.06 1.04 0.34 0.03 0.09 0.00 0.00 178.44 179.87 1c2p h ARG 337 N 0.61 1.14 -0.44 1.13 3.08 -1.21 0.12 114.38 118.80 1c2p h ARG 337 Ca 0.06 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 59.79 1c2p h ARG 337 Cb 0.87 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1c2p h ARG 337 CO 0.08 0.91 -0.24 0.00 -1.07 0.00 0.00 179.97 179.64 1c2p h ALA 338 N 1.24 0.62 -0.28 0.04 0.00 -1.18 -0.21 119.26 119.50 1c2p h ALA 338 Ca 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1c2p h ALA 338 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1c2p h ALA 338 CO -0.03 0.63 0.18 0.35 0.00 0.00 0.00 179.25 180.38 1c2p h PHE 339 N 0.78 0.36 -0.53 0.00 3.57 -0.43 -1.64 116.94 119.05 1c2p h PHE 339 Ca 0.09 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1c2p h PHE 339 Cb 0.82 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1c2p h PHE 339 CO 0.06 0.26 0.09 1.15 -2.23 0.00 0.00 178.31 177.63 1c2p h THR 340 N 0.37 1.23 -0.80 4.41 2.02 -0.63 -2.27 112.91 117.25 1c2p h THR 340 Ca 0.10 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 1c2p h THR 340 Cb -0.01 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1c2p h THR 340 CO -0.02 0.32 0.35 -0.33 0.37 0.00 0.00 175.52 176.22 1c2p h GLU 341 N 0.80 1.16 -1.04 6.66 5.08 -0.67 -0.67 114.58 125.90 1c2p h GLU 341 Ca 0.17 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1c2p h GLU 341 Cb 0.35 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1c2p h GLU 341 CO 0.01 0.91 0.00 0.00 -1.00 0.00 0.00 179.01 178.93 1c2p n ALA 342 N -2.43 1.67 0.00 3.43 0.00 -0.65 -1.95 120.51 120.58 1c2p n ALA 342 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1c2p n ALA 342 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1c2p n ALA 342 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1c2p n THR 344 N 0.60 0.00 0.02 0.00 -1.04 -0.26 -1.44 114.28 112.16 1c2p n THR 344 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1c2p n THR 344 Cb 0.12 0.00 0.32 0.00 -1.82 0.00 0.00 70.33 68.96 1c2p n THR 344 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1c2p h ARG 345 N 0.00 0.48 -0.07 -2.82 3.08 -1.65 -1.02 114.38 112.37 1c2p h ARG 345 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1c2p h ARG 345 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1c2p h ARG 345 CO 0.00 0.51 0.00 0.66 -1.07 0.00 0.00 179.97 180.07 1c2p n TYR 346 N -4.30 0.09 -2.21 3.04 4.01 -0.52 -1.04 117.16 116.24 1c2p n TYR 346 Ca 0.01 -0.05 -0.05 0.00 -0.16 0.00 0.00 57.90 57.66 1c2p n TYR 346 Cb 0.23 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.29 1c2p n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1c2p n SER 347 N -0.25 -2.72 -2.84 7.72 2.88 -0.39 -4.93 113.62 113.09 1c2p n SER 347 Ca 0.16 -0.20 -0.11 0.00 -1.33 0.00 0.00 58.87 57.39 1c2p n SER 347 Cb 0.20 -1.88 0.06 0.00 -0.75 0.00 0.00 64.21 61.84 1c2p n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c2p n ALA 348 N -1.97 0.51 -1.53 -1.46 0.00 -1.26 -4.68 120.51 110.13 1c2p n ALA 348 Ca -0.05 -2.04 -0.35 0.00 0.00 0.00 0.00 53.44 50.99 1c2p n ALA 348 Cb 0.54 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 19.00 1c2p n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1c2p s PRO 349 N -0.66 2.41 0.46 0.00 0.04 -1.26 -4.21 135.00 131.78 1c2p s PRO 349 Ca 0.27 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 1c2p s PRO 349 Cb 0.33 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.96 1c2p s PRO 349 CO -0.06 -1.65 0.84 -1.25 0.04 0.00 0.00 177.00 174.92 1c2p s PRO 350 N -3.66 3.75 0.00 0.56 0.04 -1.26 -1.62 135.00 132.81 1c2p s PRO 350 Ca 0.77 0.54 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1c2p s PRO 350 Cb -0.31 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1c2p s PRO 350 CO 0.41 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.70 1c2p n GLY 351 N -1.67 0.07 3.73 0.56 0.00 -0.20 -4.43 105.19 103.24 1c2p n GLY 351 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1c2p n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c2p s ASP 352 N -2.38 6.47 0.31 1.61 1.01 -1.26 -4.98 116.67 117.46 1c2p s ASP 352 Ca 0.00 0.56 -0.29 0.00 0.71 0.00 0.00 52.55 53.52 1c2p s ASP 352 Cb 0.00 -2.20 -0.11 0.00 1.01 0.00 0.00 42.92 41.62 1c2p s ASP 352 CO 0.00 0.08 1.49 -2.16 0.21 0.00 0.00 175.17 174.80 1c2p s PRO 353 N 0.49 4.18 0.48 8.23 0.04 -1.26 -4.50 135.00 142.65 1c2p s PRO 353 Ca 0.18 2.47 -0.23 0.00 0.04 0.00 0.00 61.00 63.47 1c2p s PRO 353 Cb -0.13 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 1c2p s PRO 353 CO 0.05 -0.50 1.22 -1.25 0.04 0.00 0.00 177.00 176.55 1c2p s PRO 354 N -1.13 3.59 -0.02 0.56 0.04 -1.26 -5.03 135.00 131.75 1c2p s PRO 354 Ca 0.57 1.90 0.03 0.00 0.04 0.00 0.00 61.00 63.54 1c2p s PRO 354 Cb -0.45 -2.37 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 1c2p s PRO 354 CO 0.52 -0.72 -0.12 1.14 0.04 0.00 0.00 177.00 177.86 1c2p s GLN 355 N -2.75 1.11 0.29 4.56 -2.07 -1.26 -4.97 119.66 114.57 1c2p s GLN 355 Ca 0.66 -0.41 -0.29 0.00 -1.82 0.00 0.00 55.36 53.49 1c2p s GLN 355 Cb -0.32 -1.04 -0.10 0.00 -1.09 0.00 0.00 33.01 30.47 1c2p s GLN 355 CO 0.38 0.20 1.25 -1.25 -1.32 0.00 0.00 175.29 174.55 1c2p s PRO 356 N -0.04 4.45 0.02 9.60 0.04 -1.26 -4.59 135.00 143.21 1c2p s PRO 356 Ca 0.00 2.06 0.08 0.00 0.04 0.00 0.00 61.00 63.18 1c2p s PRO 356 Cb -0.07 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1c2p s PRO 356 CO 0.00 -0.08 -0.22 -1.21 0.04 0.00 0.00 177.00 175.53 1c2p s GLU 357 N -1.34 1.61 -0.05 4.56 0.41 0.63 -4.96 118.70 119.57 1c2p s GLU 357 Ca 0.49 -0.93 0.08 0.00 -0.41 0.00 0.00 54.97 54.20 1c2p s GLU 357 Cb -0.37 -1.69 0.15 0.00 -1.78 0.00 0.00 34.13 30.45 1c2p s GLU 357 CO 0.46 0.44 1.10 0.66 -0.49 0.00 0.00 175.26 177.44 1c2p n TYR 358 N 2.06 0.12 -3.81 1.61 4.01 -1.26 -1.21 117.16 118.68 1c2p n TYR 358 Ca -0.17 -0.66 -0.27 0.00 -0.16 0.00 0.00 57.90 56.64 1c2p n TYR 358 Cb 0.53 -0.09 -0.16 0.00 -0.31 0.00 0.00 39.34 39.30 1c2p n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1c2p s ASP 359 N -1.57 2.82 0.35 7.72 -1.08 -1.26 -5.03 116.67 118.62 1c2p s ASP 359 Ca 0.14 -0.72 0.10 0.00 -0.52 0.00 0.00 52.55 51.56 1c2p s ASP 359 Cb 0.11 -0.75 0.85 0.00 -1.46 0.00 0.00 42.92 41.67 1c2p s ASP 359 CO 0.03 -0.24 1.83 0.25 0.52 0.00 0.00 175.17 177.56 1c2p h LEU 360 N 8.18 0.65 -0.91 -1.34 5.85 -1.98 -0.48 115.31 125.29 1c2p h LEU 360 Ca -0.19 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1c2p h LEU 360 Cb 1.11 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1c2p h LEU 360 CO 0.36 0.28 0.00 -0.62 -0.34 0.00 0.00 178.44 178.12 1c2p n GLU 361 N -4.62 0.18 -0.14 1.25 1.02 -1.26 -2.35 120.64 114.73 1c2p n GLU 361 Ca 0.20 0.48 0.11 0.00 -0.02 0.00 0.00 57.16 57.94 1c2p n GLU 361 Cb 0.56 -1.90 0.27 0.00 -0.02 0.00 0.00 31.44 30.36 1c2p n GLU 361 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1c2p n LEU 362 N -2.25 2.69 -4.62 -4.62 4.77 -0.19 -4.55 117.00 108.23 1c2p n LEU 362 Ca 0.01 -1.14 -0.38 0.00 -0.03 0.00 0.00 56.01 54.48 1c2p n LEU 362 Cb 0.18 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1c2p n LEU 362 CO 0.17 0.57 -0.12 -0.63 -1.33 0.00 0.00 177.39 176.05 1c2p s ILE 363 N -1.64 5.29 -0.25 -0.08 1.01 -0.99 -5.05 121.20 119.49 1c2p s ILE 363 Ca 0.35 0.27 -0.09 0.00 0.00 0.00 0.00 60.65 61.18 1c2p s ILE 363 Cb 0.20 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1c2p s ILE 363 CO 0.29 0.26 0.13 -0.89 0.00 0.00 0.00 174.94 174.73 1c2p s THR 364 N 1.58 4.92 -0.01 2.92 2.01 -1.26 -4.39 115.64 121.42 1c2p s THR 364 Ca 0.09 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.12 1c2p s THR 364 Cb -0.15 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.06 1c2p s THR 364 CO 0.09 0.32 0.02 -0.94 -0.69 0.00 0.00 174.62 173.42 1c2p s SER 365 N 1.40 0.02 -1.40 3.53 1.04 0.02 -4.76 113.70 113.56 1c2p s SER 365 Ca 0.06 0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.42 1c2p s SER 365 Cb -0.15 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 65.97 1c2p s SER 365 CO 0.06 -0.05 1.12 0.00 0.98 0.00 0.00 173.24 175.35 1c2p n SER 367 N -2.96 -5.86 -4.51 0.00 7.64 -1.26 -4.93 113.62 101.74 1c2p n SER 367 Ca 0.01 0.06 -0.24 0.00 1.01 0.00 0.00 58.87 59.71 1c2p n SER 367 Cb 0.56 -3.63 -0.11 0.00 -1.01 0.00 0.00 64.21 60.02 1c2p n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1c2p s SER 368 N -2.07 2.94 0.05 6.43 0.01 -0.33 -4.44 113.70 116.29 1c2p s SER 368 Ca 0.00 -1.36 -0.12 0.00 1.31 0.00 0.00 55.95 55.78 1c2p s SER 368 Cb 0.00 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.04 1c2p s SER 368 CO 0.00 -0.53 0.26 0.54 0.41 0.00 0.00 173.24 173.92 1c2p s ASN 369 N -3.57 -0.06 0.26 2.44 4.22 -0.16 -0.80 114.94 117.28 1c2p s ASN 369 Ca 0.36 -0.29 -0.26 0.00 -2.14 0.00 0.00 52.86 50.53 1c2p s ASN 369 Cb 0.09 0.34 -0.09 0.00 1.28 0.00 0.00 41.25 42.87 1c2p s ASN 369 CO 0.16 -0.61 0.89 -0.69 -2.04 0.00 0.00 177.10 174.81 1c2p s VAL 370 N -2.69 4.23 0.25 3.54 1.01 -1.26 -1.46 120.40 124.02 1c2p s VAL 370 Ca -0.04 1.83 -0.04 0.00 0.00 0.00 0.00 61.98 63.73 1c2p s VAL 370 Cb -0.00 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1c2p s VAL 370 CO -0.04 0.33 0.29 -0.55 0.00 0.00 0.00 175.10 175.12 1c2p s SER 371 N -1.40 0.34 0.03 3.32 0.15 -0.43 -4.41 113.70 111.30 1c2p s SER 371 Ca 0.44 -1.32 0.06 0.00 0.70 0.00 0.00 55.95 55.83 1c2p s SER 371 Cb -0.21 0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 1c2p s SER 371 CO 0.26 -1.01 -0.17 0.54 1.20 0.00 0.00 173.24 174.07 1c2p s VAL 372 N -3.90 1.35 0.00 4.45 0.11 -1.26 -0.94 120.40 120.20 1c2p s VAL 372 Ca 0.34 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1c2p s VAL 372 Cb 0.03 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 1c2p s VAL 372 CO 0.14 0.16 0.00 0.00 -3.33 0.00 0.00 175.10 172.07 1c2p n ALA 373 N 2.06 0.00 -2.78 1.54 0.00 -0.38 -2.98 120.51 117.97 1c2p n ALA 373 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 1c2p n ALA 373 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 1c2p n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1c2p s HIS 374 N -1.71 0.44 0.05 0.00 3.76 0.04 -1.13 115.29 116.75 1c2p s HIS 374 Ca 0.00 -0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 54.78 1c2p s HIS 374 Cb 0.00 -0.28 0.01 0.00 1.11 0.00 0.00 32.58 33.42 1c2p s HIS 374 CO 0.00 -0.02 0.07 -0.40 -0.85 0.00 0.00 174.74 173.55 1c2p n ASP 375 N 2.81 0.05 -0.36 1.40 5.68 -0.74 -0.93 116.55 124.46 1c2p n ASP 375 Ca -0.14 -1.05 0.09 0.00 -0.50 0.00 0.00 54.79 53.19 1c2p n ASP 375 Cb 0.58 -0.05 0.26 0.00 -1.14 0.00 0.00 41.12 40.77 1c2p n ASP 375 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1c2p h ALA 376 N -1.18 1.55 0.00 2.12 0.00 -1.91 -0.45 119.26 119.38 1c2p h ALA 376 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c2p h ALA 376 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1c2p h ALA 376 CO 0.02 0.14 0.00 0.43 0.00 0.00 0.00 179.25 179.84 1c2p n SER 377 N -4.67 0.01 0.00 0.00 7.64 -1.26 -4.88 113.62 110.47 1c2p n SER 377 Ca 0.20 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1c2p n SER 377 Cb 0.42 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1c2p n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c2p n GLY 378 N 0.84 0.77 3.77 0.23 0.00 -0.18 -5.04 105.19 105.59 1c2p n GLY 378 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1c2p n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c2p s LYS 379 N -0.72 4.23 0.28 1.61 2.20 -1.26 -4.66 119.74 121.41 1c2p s LYS 379 Ca 0.00 2.40 -0.29 0.00 -0.36 0.00 0.00 55.97 57.71 1c2p s LYS 379 Cb 0.00 -3.03 -0.10 0.00 -1.51 0.00 0.00 37.83 33.19 1c2p s LYS 379 CO 0.00 -0.39 1.29 1.03 -0.36 0.00 0.00 175.35 176.92 1c2p s ARG 380 N -1.69 4.40 -0.03 4.03 0.52 -1.26 -1.78 118.95 123.14 1c2p s ARG 380 Ca 0.52 2.12 -0.00 0.00 -0.52 0.00 0.00 55.73 57.85 1c2p s ARG 380 Cb -0.43 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 31.94 1c2p s ARG 380 CO 0.56 -0.17 0.03 0.54 0.02 0.00 0.00 175.30 176.28 1c2p s VAL 381 N -0.69 -0.02 0.13 3.52 0.11 -0.28 -4.91 120.40 118.27 1c2p s VAL 381 Ca 0.51 0.24 -0.20 0.00 -2.93 0.00 0.00 61.98 59.60 1c2p s VAL 381 Cb -0.38 -0.14 -0.07 0.00 -1.53 0.00 0.00 36.38 34.26 1c2p s VAL 381 CO 0.46 0.12 0.63 -0.31 -3.33 0.00 0.00 175.10 172.68 1c2p s TYR 382 N 1.33 3.77 0.17 1.54 2.02 -1.26 -1.24 117.35 123.68 1c2p s TYR 382 Ca -0.06 1.33 -0.11 0.00 -0.37 0.00 0.00 57.07 57.87 1c2p s TYR 382 Cb -0.13 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.88 1c2p s TYR 382 CO -0.03 0.51 0.34 1.52 -1.57 0.00 0.00 175.55 176.33 1c2p s TYR 383 N -1.23 0.28 -0.13 2.71 1.13 -0.12 -4.98 117.35 115.00 1c2p s TYR 383 Ca 0.34 -0.64 -0.12 0.00 -1.41 0.00 0.00 57.07 55.24 1c2p s TYR 383 Cb -0.19 0.05 -0.05 0.00 -1.10 0.00 0.00 41.96 40.67 1c2p s TYR 383 CO 0.21 -0.77 0.27 -1.17 -2.51 0.00 0.00 175.55 171.57 1c2p s LEU 384 N -2.95 4.30 0.00 -3.49 2.96 -1.26 -1.32 118.68 116.92 1c2p s LEU 384 Ca 0.15 0.54 0.06 0.00 -0.22 0.00 0.00 54.13 54.65 1c2p s LEU 384 Cb 0.02 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 1c2p s LEU 384 CO -0.01 0.19 0.20 1.07 -1.32 0.00 0.00 176.35 176.49 1c2p n THR 385 N 3.04 0.00 -3.65 3.68 5.66 -0.54 -4.74 114.28 117.74 1c2p n THR 385 Ca -0.14 -1.76 -0.07 0.00 -3.05 0.00 0.00 64.05 59.03 1c2p n THR 385 Cb 0.52 0.87 -0.02 0.00 -1.55 0.00 0.00 70.33 70.16 1c2p n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1c2p s ARG 386 N -2.99 1.24 0.15 1.09 1.70 -1.26 -0.99 118.95 117.89 1c2p s ARG 386 Ca 0.29 -0.60 -0.31 0.00 -0.47 0.00 0.00 55.73 54.63 1c2p s ARG 386 Cb 0.01 0.48 -0.10 0.00 -0.57 0.00 0.00 34.95 34.77 1c2p s ARG 386 CO 0.20 -0.56 1.63 0.34 -1.08 0.00 0.00 175.30 175.83 1c2p s ASP 387 N -2.79 6.55 0.00 -2.89 -1.08 -1.26 -4.89 116.67 110.31 1c2p s ASP 387 Ca 0.08 2.63 0.29 0.00 -0.52 0.00 0.00 52.55 55.03 1c2p s ASP 387 Cb -0.02 -2.59 1.62 0.00 -1.46 0.00 0.00 42.92 40.48 1c2p s ASP 387 CO -0.02 -0.87 2.05 -0.81 0.52 0.00 0.00 175.17 176.04 1c2p n PRO 388 N 4.45 1.10 -0.01 4.34 -0.04 -1.26 -4.41 135.00 139.17 1c2p n PRO 388 Ca 0.15 -0.15 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1c2p n PRO 388 Cb 0.38 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 1c2p n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1c2p h THR 389 N 0.35 0.38 -0.41 0.52 2.02 -1.95 -0.21 112.91 113.61 1c2p h THR 389 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1c2p h THR 389 Cb 0.07 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1c2p h THR 389 CO 0.00 0.00 -0.05 0.74 0.37 0.00 0.00 175.52 176.58 1c2p h THR 390 N -0.32 1.27 -0.31 3.16 2.02 -1.96 -1.09 112.91 115.68 1c2p h THR 390 Ca 0.11 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 1c2p h THR 390 Cb 0.48 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1c2p h THR 390 CO -0.34 0.37 0.10 -0.65 0.37 0.00 0.00 175.52 175.37 1c2p h PRO 391 N 0.57 0.44 0.03 6.66 0.11 -1.77 -1.93 132.00 136.12 1c2p h PRO 391 Ca 0.11 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 65.93 1c2p h PRO 391 Cb 0.55 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1c2p h PRO 391 CO 0.03 0.39 -1.00 -0.07 -0.21 0.00 0.00 178.00 177.15 1c2p h LEU 392 N 0.44 0.49 -0.58 2.35 3.38 -0.84 -1.90 115.31 118.65 1c2p h LEU 392 Ca 0.11 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1c2p h LEU 392 Cb 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1c2p h LEU 392 CO -0.01 1.23 0.33 0.00 0.09 0.00 0.00 178.44 180.09 1c2p h ALA 393 N 0.73 0.74 -0.33 1.53 0.00 -0.92 -1.87 119.26 119.14 1c2p h ALA 393 Ca -0.09 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1c2p h ALA 393 Cb 1.65 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1c2p h ALA 393 CO 0.17 0.25 -0.36 0.00 0.00 0.00 0.00 179.25 179.31 1c2p h ARG 394 N 0.78 0.76 -0.97 0.00 3.08 -1.36 -2.77 114.38 113.91 1c2p h ARG 394 Ca 0.21 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1c2p h ARG 394 Cb 0.02 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 1c2p h ARG 394 CO -0.04 1.00 0.61 0.00 -1.07 0.00 0.00 179.97 180.47 1c2p h ALA 395 N 0.96 1.24 -0.76 0.04 0.00 -1.09 -0.41 119.26 119.25 1c2p h ALA 395 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1c2p h ALA 395 Cb 0.90 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1c2p h ALA 395 CO 0.08 0.67 0.48 0.00 0.00 0.00 0.00 179.25 180.48 1c2p h ALA 396 N 1.34 0.96 -0.25 0.00 0.00 -1.13 0.05 119.26 120.23 1c2p h ALA 396 Ca 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1c2p h ALA 396 Cb -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1c2p h ALA 396 CO -0.07 0.40 0.02 2.35 0.00 0.00 0.00 179.25 181.95 1c2p h TRP 397 N 1.03 0.46 0.00 0.00 2.91 -1.12 -2.81 115.95 116.41 1c2p h TRP 397 Ca 0.28 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.22 1c2p h TRP 397 Cb -0.09 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.44 1c2p h TRP 397 CO -0.02 0.57 0.00 0.93 -1.03 0.00 0.00 178.44 178.89 1c2p h GLU 398 N 0.21 0.00 -0.14 2.65 5.08 -0.82 -1.31 114.58 120.25 1c2p h GLU 398 Ca 0.07 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1c2p h GLU 398 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1c2p h GLU 398 CO 0.01 0.00 -0.39 1.15 -1.00 0.00 0.00 179.01 178.77 1c2p h THR 399 N 0.00 1.30 -0.01 1.13 2.02 -0.71 -3.29 112.91 113.35 1c2p h THR 399 Ca 0.00 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1c2p h THR 399 Cb 0.39 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1c2p h THR 399 CO 0.00 0.45 -0.18 0.00 0.37 0.00 0.00 175.52 176.17 1c2p n ALA 400 N -2.48 2.78 -3.12 6.16 0.00 -0.93 -4.87 120.51 118.04 1c2p n ALA 400 Ca -0.01 -0.46 -0.13 0.00 0.00 0.00 0.00 53.44 52.84 1c2p n ALA 400 Cb 0.48 -0.35 -0.13 0.00 0.00 0.00 0.00 19.45 19.44 1c2p n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1c2p s ARG 401 N -1.29 0.11 -0.03 0.00 1.81 -0.54 -4.90 118.95 114.12 1c2p s ARG 401 Ca 0.09 0.18 -0.28 0.00 -1.72 0.00 0.00 55.73 54.00 1c2p s ARG 401 Cb 0.08 0.01 -0.03 0.00 -0.45 0.00 0.00 34.95 34.57 1c2p s ARG 401 CO 0.23 -0.04 0.92 -1.01 -0.68 0.00 0.00 175.30 174.72 1c2p s HIS 402 N 0.26 3.63 0.24 -0.53 3.76 -1.26 -4.24 115.29 117.14 1c2p s HIS 402 Ca -0.02 1.58 0.10 0.00 -0.15 0.00 0.00 55.06 56.58 1c2p s HIS 402 Cb -0.03 -3.05 -0.05 0.00 1.11 0.00 0.00 32.58 30.56 1c2p s HIS 402 CO -0.01 -0.01 -0.12 0.95 -0.85 0.00 0.00 174.74 174.70 1c2p s THR 403 N 1.06 2.94 0.42 1.30 -4.23 -1.26 -5.03 115.64 110.84 1c2p s THR 403 Ca 0.48 -2.03 0.10 0.00 -1.18 0.00 0.00 61.69 59.06 1c2p s THR 403 Cb -0.20 -2.52 0.22 0.00 1.34 0.00 0.00 72.50 71.34 1c2p s THR 403 CO 0.25 -0.29 2.01 -0.65 -0.54 0.00 0.00 174.62 175.40 1c2p h PRO 404 N 2.41 0.31 -4.53 3.99 0.11 -1.96 -3.40 132.00 128.93 1c2p h PRO 404 Ca -0.44 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.08 1c2p h PRO 404 Cb 1.24 -0.06 -0.35 0.00 0.11 0.00 0.00 31.00 31.94 1c2p h PRO 404 CO 0.57 0.31 -0.82 0.08 -0.21 0.00 0.00 178.00 177.93 1c2p s VAL 405 N -5.07 1.26 -0.74 3.15 1.01 -1.26 -4.66 120.40 114.09 1c2p s VAL 405 Ca -0.06 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 1c2p s VAL 405 Cb 0.16 -1.19 0.09 0.00 0.00 0.00 0.00 36.38 35.44 1c2p s VAL 405 CO 0.72 0.40 1.02 0.20 0.00 0.00 0.00 175.10 177.44 1c2p s ASN 406 N 1.15 6.30 0.40 3.32 0.01 -0.60 -4.90 114.94 120.62 1c2p s ASN 406 Ca -0.04 -1.28 0.12 0.00 -0.71 0.00 0.00 52.86 50.95 1c2p s ASN 406 Cb -0.14 -2.42 0.82 0.00 0.41 0.00 0.00 41.25 39.92 1c2p s ASN 406 CO -0.03 -1.35 1.90 0.77 -1.51 0.00 0.00 177.10 176.88 1c2p h SER 407 N 9.39 0.05 -0.86 -1.22 4.64 -1.93 -2.77 113.55 120.86 1c2p h SER 407 Ca -0.16 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1c2p h SER 407 Cb 1.06 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.09 1c2p h SER 407 CO 1.17 0.31 0.53 4.11 -0.87 0.00 0.00 176.83 182.08 1c2p h TRP 408 N 0.05 1.12 -0.31 4.77 5.08 -1.90 0.11 115.95 124.88 1c2p h TRP 408 Ca 0.01 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.81 1c2p h TRP 408 Cb 0.49 -0.37 -0.00 0.00 -3.00 0.00 0.00 29.16 26.27 1c2p h TRP 408 CO 0.00 0.74 -0.48 1.25 -1.28 0.00 0.00 178.44 178.67 1c2p h LEU 409 N 1.18 0.95 -0.88 0.11 5.85 -1.89 -0.49 115.31 120.15 1c2p h LEU 409 Ca 0.31 -0.51 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 1c2p h LEU 409 Cb -0.06 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 1c2p h LEU 409 CO -0.06 1.28 -0.19 1.23 -0.34 0.00 0.00 178.44 180.37 1c2p h GLY 410 N 0.65 0.68 1.32 3.75 0.00 -1.33 -1.96 103.07 106.17 1c2p h GLY 410 Ca 0.03 -0.53 -0.15 0.00 0.00 0.00 0.00 47.33 46.67 1c2p h GLY 410 CO 0.11 0.49 -0.44 3.43 0.00 0.00 0.00 176.54 180.13 1c2p h ASN 411 N 0.56 0.79 -0.42 0.19 2.35 -0.59 -2.97 115.58 115.49 1c2p h ASN 411 Ca 0.09 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 55.42 1c2p h ASN 411 Cb 0.63 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1c2p h ASN 411 CO 0.04 1.12 0.12 0.40 -1.65 0.00 0.00 177.43 177.46 1c2p h ILE 412 N 0.59 1.22 0.00 2.81 2.04 -0.90 0.17 117.51 123.44 1c2p h ILE 412 Ca 0.04 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1c2p h ILE 412 Cb 0.99 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1c2p h ILE 412 CO 0.09 0.27 0.00 -0.38 0.00 0.00 0.00 178.15 178.13 1c2p n ILE 413 N -4.56 0.00 0.00 -0.67 5.41 -0.75 -0.83 119.36 117.95 1c2p n ILE 413 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1c2p n ILE 413 Cb 0.20 -0.48 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 1c2p n ILE 413 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1c2p n TYR 415 N -0.49 0.00 -0.34 1.39 4.01 0.59 -4.92 117.16 117.40 1c2p n TYR 415 Ca 0.00 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.91 1c2p n TYR 415 Cb 0.00 0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.41 1c2p n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1c2p h ALA 416 N 0.00 1.73 0.00 -0.72 0.00 -1.12 -0.47 119.26 118.68 1c2p h ALA 416 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1c2p h ALA 416 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1c2p h ALA 416 CO 0.00 -0.32 0.00 -2.30 0.00 0.00 0.00 179.25 176.63 1c2p n PRO 417 N -4.94 0.13 -2.32 0.00 -0.02 -1.26 -4.44 135.00 122.14 1c2p n PRO 417 Ca 0.27 0.34 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 1c2p n PRO 417 Cb 0.76 -1.73 -0.01 0.00 -0.02 0.00 0.00 33.50 32.49 1c2p n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1c2p s THR 418 N -3.19 3.81 0.12 3.45 -4.23 -0.18 -4.93 115.64 110.49 1c2p s THR 418 Ca 0.06 1.00 -0.20 0.00 -1.18 0.00 0.00 61.69 61.38 1c2p s THR 418 Cb 0.10 -3.43 -0.06 0.00 1.34 0.00 0.00 72.50 70.45 1c2p s THR 418 CO 0.37 -0.37 1.75 0.25 -0.54 0.00 0.00 174.62 176.09 1c2p h LEU 419 N 1.06 0.10 -0.52 4.79 5.85 -1.89 -2.31 115.31 122.39 1c2p h LEU 419 Ca -0.48 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.11 1c2p h LEU 419 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1c2p h LEU 419 CO 0.58 0.08 -0.30 4.11 -0.34 0.00 0.00 178.44 182.58 1c2p h TRP 420 N 0.17 1.03 -0.30 1.25 5.08 -1.93 -3.16 115.95 118.10 1c2p h TRP 420 Ca 0.08 -0.27 -0.15 0.00 1.08 0.00 0.00 58.89 59.63 1c2p h TRP 420 Cb 0.04 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 25.97 1c2p h TRP 420 CO -0.11 1.07 -0.43 0.00 -1.28 0.00 0.00 178.44 177.69 1c2p h ALA 421 N 0.91 0.68 0.00 0.11 0.00 -1.79 -1.83 119.26 117.34 1c2p h ALA 421 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1c2p h ALA 421 Cb 0.86 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1c2p h ALA 421 CO 0.08 0.67 0.00 0.54 0.00 0.00 0.00 179.25 180.54 1c2p n ARG 422 N -4.03 0.65 0.00 0.00 1.74 -0.88 -2.84 116.66 111.30 1c2p n ARG 422 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1c2p n ARG 422 Cb 0.55 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1c2p n ARG 422 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1c2p n ILE 424 N -0.52 0.00 0.24 0.55 5.41 -0.70 -3.95 119.36 120.39 1c2p n ILE 424 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1c2p n ILE 424 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1c2p n ILE 424 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1c2p n LEU 425 N -1.94 0.28 0.00 1.39 4.77 -1.13 -1.02 117.00 119.34 1c2p n LEU 425 Ca 0.00 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1c2p n LEU 425 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1c2p n LEU 425 CO 0.00 0.06 0.00 0.41 -1.33 0.00 0.00 177.39 176.53 1c2p n THR 427 N 0.42 0.00 0.16 -5.08 -1.04 -1.25 -2.00 114.28 105.49 1c2p n THR 427 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1c2p n THR 427 Cb 0.06 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.51 1c2p n THR 427 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1c2p h HIS 428 N 0.00 -0.50 -0.05 -1.42 6.17 -1.46 -2.53 115.15 115.35 1c2p h HIS 428 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 60.37 60.93 1c2p h HIS 428 Cb 0.00 0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.11 1c2p h HIS 428 CO 0.00 -0.29 -0.62 0.74 0.71 0.00 0.00 177.93 178.47 1c2p h PHE 429 N -0.44 0.26 0.00 5.26 0.04 -1.63 -2.71 116.94 117.72 1c2p h PHE 429 Ca -0.01 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 1c2p h PHE 429 Cb 0.39 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 1c2p h PHE 429 CO -0.13 0.77 -0.36 0.74 -0.60 0.00 0.00 178.31 178.73 1c2p h PHE 430 N 0.15 0.00 -0.14 -0.55 -1.00 -1.76 -0.87 116.94 112.76 1c2p h PHE 430 Ca -0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1c2p h PHE 430 Cb 1.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.68 1c2p h PHE 430 CO 0.02 0.36 0.05 1.03 -1.61 0.00 0.00 178.31 178.16 1c2p h SER 431 N 0.00 0.20 -0.46 2.17 0.87 -1.15 0.02 113.55 115.19 1c2p h SER 431 Ca -0.00 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 1c2p h SER 431 Cb 0.75 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1c2p h SER 431 CO 0.05 0.33 0.15 0.40 -0.53 0.00 0.00 176.83 177.23 1c2p h ILE 432 N 0.06 1.22 -0.64 2.23 2.04 -1.22 -2.20 117.51 119.00 1c2p h ILE 432 Ca 0.05 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 1c2p h ILE 432 Cb 0.19 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1c2p h ILE 432 CO -0.00 0.26 0.29 -0.07 0.00 0.00 0.00 178.15 178.63 1c2p h LEU 433 N 0.61 0.83 -0.04 1.44 3.38 -0.96 -2.54 115.31 118.03 1c2p h LEU 433 Ca 0.15 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1c2p h LEU 433 Cb 0.26 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1c2p h LEU 433 CO -0.01 0.72 0.02 -0.07 0.09 0.00 0.00 178.44 179.20 1c2p h LEU 434 N 0.91 0.06 -1.89 1.67 3.38 -0.70 0.29 115.31 119.03 1c2p h LEU 434 Ca 0.22 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1c2p h LEU 434 Cb 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1c2p h LEU 434 CO -0.03 0.18 0.20 0.00 0.09 0.00 0.00 178.44 178.88 1c2p h ALA 435 N 0.88 2.10 -0.02 1.53 0.00 -1.14 -1.97 119.26 120.64 1c2p h ALA 435 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c2p h ALA 435 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1c2p h ALA 435 CO -0.00 -0.16 -0.17 1.04 0.00 0.00 0.00 179.25 179.96 1c2p n GLN 436 N -4.48 1.71 -3.61 0.00 1.13 -0.98 -4.98 117.38 106.17 1c2p n GLN 436 Ca 0.03 -1.41 -0.22 0.00 -1.94 0.00 0.00 57.00 53.47 1c2p n GLN 436 Cb 0.27 -1.39 0.06 0.00 0.11 0.00 0.00 30.24 29.29 1c2p n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1c2p n GLU 437 N 0.67 -6.41 -1.52 -1.09 1.02 -0.07 -4.93 120.64 108.31 1c2p n GLU 437 Ca 0.10 0.75 -0.18 0.00 -0.02 0.00 0.00 57.16 57.82 1c2p n GLU 437 Cb 0.48 -5.65 0.09 0.00 -0.02 0.00 0.00 31.44 26.33 1c2p n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1c2p n GLN 438 N -4.48 2.89 -0.02 3.49 6.02 -0.26 -4.71 117.38 120.32 1c2p n GLN 438 Ca -0.16 -3.77 -0.05 0.00 -0.01 0.00 0.00 57.00 53.01 1c2p n GLN 438 Cb 0.62 -2.10 0.15 0.00 1.02 0.00 0.00 30.24 29.93 1c2p n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1c2p h LEU 439 N 1.78 0.59 -1.57 1.08 4.07 -1.92 -2.89 115.31 116.44 1c2p h LEU 439 Ca 0.32 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1c2p h LEU 439 Cb 1.39 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1c2p h LEU 439 CO 0.69 0.84 0.00 -0.62 -1.08 0.00 0.00 178.44 178.26 1c2p n GLU 440 N -4.10 2.02 -2.85 1.13 4.71 -1.26 -2.26 120.64 118.02 1c2p n GLU 440 Ca -0.00 -1.55 -0.42 0.00 -0.01 0.00 0.00 57.16 55.17 1c2p n GLU 440 Cb 0.43 -1.42 -0.04 0.00 -1.01 0.00 0.00 31.44 29.40 1c2p n GLU 440 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1c2p s LYS 441 N -1.62 3.84 0.27 3.49 2.20 -1.09 -4.91 119.74 121.91 1c2p s LYS 441 Ca 0.34 0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 56.17 1c2p s LYS 441 Cb 0.19 -3.80 -0.10 0.00 -1.51 0.00 0.00 37.83 32.60 1c2p s LYS 441 CO 0.26 -0.90 1.49 0.00 -0.36 0.00 0.00 175.35 175.84 1c2p s ALA 442 N 3.34 3.66 0.13 3.13 0.00 -1.26 -4.36 121.76 126.40 1c2p s ALA 442 Ca 0.36 1.41 0.09 0.00 0.00 0.00 0.00 51.96 53.82 1c2p s ALA 442 Cb -0.12 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1c2p s ALA 442 CO 0.17 -0.82 -0.21 -0.51 0.00 0.00 0.00 175.76 174.39 1c2p s LEU 443 N -0.46 2.36 0.07 0.00 1.43 -0.17 -4.85 118.68 117.05 1c2p s LEU 443 Ca 0.60 -0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 1c2p s LEU 443 Cb -0.44 -0.93 -0.07 0.00 0.03 0.00 0.00 46.19 44.79 1c2p s LEU 443 CO 0.45 0.05 0.64 -1.81 0.23 0.00 0.00 176.35 175.91 1c2p s ASP 444 N -2.23 7.13 0.31 2.29 1.01 -1.26 -0.54 116.67 123.38 1c2p s ASP 444 Ca 0.11 1.34 -0.02 0.00 0.71 0.00 0.00 52.55 54.70 1c2p s ASP 444 Cb -0.08 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 1c2p s ASP 444 CO 0.06 0.20 0.40 0.00 0.21 0.00 0.00 175.17 176.03 1c2p s GLN 446 N -3.39 1.00 -0.14 0.00 -0.21 -1.26 -1.07 119.66 114.59 1c2p s GLN 446 Ca 0.32 -0.34 -0.00 0.00 0.02 0.00 0.00 55.36 55.36 1c2p s GLN 446 Cb 0.01 -0.93 0.03 0.00 1.00 0.00 0.00 33.01 33.12 1c2p s GLN 446 CO 0.19 0.15 -0.08 0.42 -2.12 0.00 0.00 175.29 173.84 1c2p s ILE 447 N 0.09 1.16 -1.51 1.08 1.01 -0.21 -4.74 121.20 118.09 1c2p s ILE 447 Ca -0.02 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 1c2p s ILE 447 Cb -0.08 -1.20 0.07 0.00 0.01 0.00 0.00 42.46 41.26 1c2p s ILE 447 CO 0.00 0.32 0.98 -1.22 0.00 0.00 0.00 174.94 175.02 1c2p n TYR 448 N 4.89 -2.32 0.00 3.97 4.01 -1.26 -1.89 117.16 124.55 1c2p n TYR 448 Ca -0.13 0.91 0.00 0.00 -0.16 0.00 0.00 57.90 58.52 1c2p n TYR 448 Cb 0.49 -4.09 0.00 0.00 -0.31 0.00 0.00 39.34 35.43 1c2p n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1c2p n GLY 449 N -1.71 3.02 3.83 2.72 0.00 -1.26 -1.54 105.19 110.25 1c2p n GLY 449 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1c2p n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2p s ALA 450 N -1.32 3.39 -0.13 4.61 0.00 -0.79 -4.40 121.76 123.11 1c2p s ALA 450 Ca 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.91 1c2p s ALA 450 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1c2p s ALA 450 CO 0.00 0.33 0.38 0.00 0.00 0.00 0.00 175.76 176.48 1c2p s TYR 452 N 0.43 1.37 -0.28 0.00 1.51 -0.23 -0.87 117.35 119.28 1c2p s TYR 452 Ca 0.21 -0.26 -0.12 0.00 -1.01 0.00 0.00 57.07 55.89 1c2p s TYR 452 Cb -0.14 -0.88 -0.05 0.00 -0.11 0.00 0.00 41.96 40.78 1c2p s TYR 452 CO 0.07 -0.02 0.23 0.45 -1.11 0.00 0.00 175.55 175.17 1c2p s SER 453 N -0.39 6.07 -0.02 2.29 0.15 -1.17 -1.06 113.70 119.56 1c2p s SER 453 Ca 0.06 0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.75 1c2p s SER 453 Cb -0.06 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1c2p s SER 453 CO -0.00 -0.09 -0.07 -0.63 1.20 0.00 0.00 173.24 173.64 1c2p s ILE 454 N 1.82 0.63 -0.08 6.45 1.01 0.30 -2.70 121.20 128.63 1c2p s ILE 454 Ca 0.09 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.21 1c2p s ILE 454 Cb -0.16 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 1c2p s ILE 454 CO 0.11 0.20 0.71 -1.61 0.00 0.00 0.00 174.94 174.35 1c2p s GLU 455 N 0.14 4.42 0.60 2.79 2.02 -1.26 -1.00 118.70 126.40 1c2p s GLU 455 Ca -0.02 0.88 0.29 0.00 0.02 0.00 0.00 54.97 56.14 1c2p s GLU 455 Cb -0.07 -3.46 1.56 0.00 0.10 0.00 0.00 34.13 32.26 1c2p s GLU 455 CO 0.00 0.02 1.97 -1.35 0.02 0.00 0.00 175.26 175.92 1c2p h PRO 456 N 6.84 0.00 0.00 0.39 0.11 -1.75 -0.80 132.00 136.79 1c2p h PRO 456 Ca -0.40 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 1c2p h PRO 456 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1c2p h PRO 456 CO 0.76 0.00 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.47 1c2p h LEU 457 N 0.00 0.00 -0.27 2.35 3.38 -1.82 -2.36 115.31 116.59 1c2p h LEU 457 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1c2p h LEU 457 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1c2p h LEU 457 CO -0.00 0.01 -0.11 0.47 0.09 0.00 0.00 178.44 178.90 1c2p n ASP 458 N -3.14 0.54 -0.18 -0.43 8.00 -0.31 -4.41 116.55 116.62 1c2p n ASP 458 Ca -0.01 -0.65 -0.00 0.00 0.71 0.00 0.00 54.79 54.84 1c2p n ASP 458 Cb 0.19 -0.05 0.09 0.00 -0.02 0.00 0.00 41.12 41.32 1c2p n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1c2p h LEU 459 N 0.67 -0.12 -0.50 0.64 3.38 -1.57 -0.98 115.31 116.83 1c2p h LEU 459 Ca 0.00 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1c2p h LEU 459 Cb 0.36 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1c2p h LEU 459 CO 0.00 -0.04 0.15 -0.65 0.09 0.00 0.00 178.44 177.99 1c2p h PRO 460 N 0.18 0.31 -0.25 1.13 0.11 -1.84 0.82 132.00 132.47 1c2p h PRO 460 Ca 0.29 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 1c2p h PRO 460 Cb 0.44 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1c2p h PRO 460 CO -0.42 0.20 0.07 1.96 -0.21 0.00 0.00 178.00 179.60 1c2p h GLN 461 N 0.32 0.39 -0.34 1.05 4.20 -1.76 -1.31 115.11 117.66 1c2p h GLN 461 Ca 0.24 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1c2p h GLN 461 Cb 0.28 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1c2p h GLN 461 CO -0.27 0.47 0.20 0.82 -0.67 0.00 0.00 178.83 179.38 1c2p h ILE 462 N 0.23 1.04 -0.43 2.54 2.04 -0.82 -1.31 117.51 120.80 1c2p h ILE 462 Ca 0.08 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1c2p h ILE 462 Cb 0.25 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1c2p h ILE 462 CO -0.00 0.07 0.23 0.40 0.00 0.00 0.00 178.15 178.86 1c2p h ILE 463 N 0.41 1.16 -0.34 -0.67 2.04 -0.73 -1.37 117.51 118.01 1c2p h ILE 463 Ca 0.13 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1c2p h ILE 463 Cb -0.00 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1c2p h ILE 463 CO -0.06 0.17 0.20 -0.08 0.00 0.00 0.00 178.15 178.38 1c2p h GLU 464 N 0.56 0.39 -0.92 2.37 4.81 -0.96 0.20 114.58 121.04 1c2p h GLU 464 Ca 0.15 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1c2p h GLU 464 Cb 0.06 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1c2p h GLU 464 CO -0.02 0.26 0.54 0.00 -0.73 0.00 0.00 179.01 179.06 1c2p h ARG 465 N 0.40 1.26 0.14 1.92 2.47 -0.91 0.17 114.38 119.83 1c2p h ARG 465 Ca 0.13 -0.12 -0.27 0.00 -1.26 0.00 0.00 59.98 58.46 1c2p h ARG 465 Cb 0.00 -0.26 0.01 0.00 -1.65 0.00 0.00 29.97 28.07 1c2p h ARG 465 CO -0.06 0.89 -1.31 -0.07 0.56 0.00 0.00 179.97 179.98 1c2p h LEU 466 N 1.27 0.47 0.00 3.04 3.38 -0.92 -3.41 115.31 119.14 1c2p h LEU 466 Ca 0.33 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1c2p h LEU 466 Cb -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1c2p h LEU 466 CO -0.06 1.59 -0.71 1.41 0.09 0.00 0.00 178.44 180.77 1c2p n HIS 467 N -3.92 0.00 0.00 1.13 8.25 0.69 -4.72 115.22 116.65 1c2p n HIS 467 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1c2p n HIS 467 Cb 0.92 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.97 1c2p n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c2p n GLY 468 N 1.40 -0.84 0.31 -1.41 0.00 0.60 -4.34 105.19 100.91 1c2p n GLY 468 Ca 0.01 -1.65 0.17 0.00 0.00 0.00 0.00 46.02 44.55 1c2p n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1c2p h LEU 469 N 0.00 0.00 -2.46 0.99 3.38 -1.89 -2.38 115.31 112.95 1c2p h LEU 469 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1c2p h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1c2p h LEU 469 CO 0.00 0.01 0.06 0.77 0.09 0.00 0.00 178.44 179.37 1c2p h SER 470 N 0.00 0.00 0.15 -0.43 4.64 -1.96 -0.68 113.55 115.26 1c2p h SER 470 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1c2p h SER 470 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1c2p h SER 470 CO 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 175.91 1c2p h ALA 471 N 1.92 1.44 -0.01 5.18 0.00 -1.62 -1.25 119.26 124.93 1c2p h ALA 471 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1c2p h ALA 471 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1c2p h ALA 471 CO -0.00 0.07 -0.09 1.19 0.00 0.00 0.00 179.25 180.42 1c2p n PHE 472 N -3.79 0.00 -0.56 0.00 3.72 -0.26 -4.29 117.46 112.27 1c2p n PHE 472 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1c2p n PHE 472 Cb 0.15 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1c2p n PHE 472 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1c2p n SER 473 N -0.25 0.64 -4.76 4.37 3.41 -0.53 -4.47 113.62 112.03 1c2p n SER 473 Ca 0.17 -1.20 -0.40 0.00 -0.26 0.00 0.00 58.87 57.18 1c2p n SER 473 Cb 0.33 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.30 1c2p n SER 473 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1c2p s LEU 474 N -0.20 4.08 0.33 1.04 1.43 -0.87 -4.17 118.68 120.33 1c2p s LEU 474 Ca 0.00 2.88 -0.14 0.00 -1.03 0.00 0.00 54.13 55.84 1c2p s LEU 474 Cb 0.00 -3.98 0.03 0.00 0.03 0.00 0.00 46.19 42.26 1c2p s LEU 474 CO 0.00 -1.21 0.66 -1.38 0.23 0.00 0.00 176.35 174.65 1c2p s HIS 475 N -1.22 0.28 -1.08 0.29 -3.43 -0.11 -4.96 115.29 105.06 1c2p s HIS 475 Ca 0.62 -0.78 -0.14 0.00 -0.80 0.00 0.00 55.06 53.97 1c2p s HIS 475 Cb -0.43 0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 31.21 1c2p s HIS 475 CO 0.54 -1.32 0.84 0.43 -2.00 0.00 0.00 174.74 173.24 1c2p n SER 476 N -1.04 -5.96 -4.76 7.38 7.64 -1.26 -0.78 113.62 114.84 1c2p n SER 476 Ca -0.04 -0.86 -0.30 0.00 1.01 0.00 0.00 58.87 58.67 1c2p n SER 476 Cb 0.60 -4.17 0.10 0.00 -1.01 0.00 0.00 64.21 59.74 1c2p n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1c2p s TYR 477 N -3.41 2.57 0.62 1.43 1.51 -1.26 -4.14 117.35 114.67 1c2p s TYR 477 Ca 0.45 1.38 -0.17 0.00 -1.01 0.00 0.00 57.07 57.72 1c2p s TYR 477 Cb -0.12 -3.08 -0.02 0.00 -0.11 0.00 0.00 41.96 38.63 1c2p s TYR 477 CO 0.81 -1.96 1.14 -1.54 -1.11 0.00 0.00 175.55 172.89 1c2p s SER 478 N -3.51 5.24 0.40 2.29 1.04 -1.16 -4.85 113.70 113.15 1c2p s SER 478 Ca 0.62 2.13 0.08 0.00 0.48 0.00 0.00 55.95 59.26 1c2p s SER 478 Cb -0.17 -2.57 0.83 0.00 0.10 0.00 0.00 66.02 64.21 1c2p s SER 478 CO 0.56 -1.54 1.98 -0.65 0.98 0.00 0.00 173.24 174.57 1c2p h PRO 479 N 0.49 0.38 -0.26 4.02 0.11 -1.94 -0.30 132.00 134.50 1c2p h PRO 479 Ca -0.48 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1c2p h PRO 479 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1c2p h PRO 479 CO 0.55 0.37 0.03 0.78 -0.21 0.00 0.00 178.00 179.51 1c2p h GLY 480 N 0.61 0.47 0.79 -0.55 0.00 -1.99 -1.15 103.07 101.25 1c2p h GLY 480 Ca 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1c2p h GLY 480 CO -0.00 0.31 0.01 -2.09 0.00 0.00 0.00 176.54 174.77 1c2p h GLU 481 N 0.24 0.22 -0.55 4.80 4.57 -1.81 -1.63 114.58 120.42 1c2p h GLU 481 Ca 0.08 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 1c2p h GLU 481 Cb 0.37 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 1c2p h GLU 481 CO 0.01 0.43 0.27 0.82 -1.18 0.00 0.00 179.01 179.35 1c2p h ILE 482 N -0.02 0.93 -0.65 2.32 2.04 -1.06 -1.44 117.51 119.63 1c2p h ILE 482 Ca 0.04 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1c2p h ILE 482 Cb 0.32 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1c2p h ILE 482 CO 0.00 0.09 0.23 0.78 0.00 0.00 0.00 178.15 179.25 1c2p h ASN 483 N 0.51 0.90 -0.34 1.72 2.35 -1.08 -1.09 115.58 118.55 1c2p h ASN 483 Ca 0.25 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1c2p h ASN 483 Cb 0.18 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1c2p h ASN 483 CO -0.18 0.83 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.32 1c2p h ARG 484 N 0.95 0.60 0.14 0.81 2.43 -0.63 -0.84 114.38 117.83 1c2p h ARG 484 Ca 0.22 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1c2p h ARG 484 Cb 0.23 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1c2p h ARG 484 CO -0.01 0.73 -0.07 0.28 -1.51 0.00 0.00 179.97 179.39 1c2p h VAL 485 N 0.41 0.88 -0.78 0.20 2.07 -0.95 -1.82 116.25 116.26 1c2p h VAL 485 Ca 0.09 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1c2p h VAL 485 Cb 0.46 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1c2p h VAL 485 CO 0.02 0.02 0.42 0.00 0.02 0.00 0.00 177.57 178.04 1c2p h ALA 486 N 0.64 1.27 -0.56 1.67 0.00 -1.19 -1.87 119.26 119.22 1c2p h ALA 486 Ca -0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1c2p h ALA 486 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1c2p h ALA 486 CO 0.03 0.59 0.10 0.77 0.00 0.00 0.00 179.25 180.74 1c2p h SER 487 N 1.09 0.89 -0.83 0.00 0.02 -1.01 -2.65 113.55 111.06 1c2p h SER 487 Ca 0.27 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1c2p h SER 487 Cb 0.04 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 1c2p h SER 487 CO -0.04 0.92 0.37 0.00 -1.14 0.00 0.00 176.83 176.93 1c2p h LEU 489 N 1.20 0.92 -0.69 0.00 3.38 -1.18 -1.19 115.31 117.75 1c2p h LEU 489 Ca 0.28 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1c2p h LEU 489 Cb 0.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1c2p h LEU 489 CO -0.03 0.86 0.01 0.03 0.09 0.00 0.00 178.44 179.40 1c2p h ARG 490 N 0.93 1.02 -0.50 1.13 3.08 -1.25 0.24 114.38 119.02 1c2p h ARG 490 Ca 0.21 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1c2p h ARG 490 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1c2p h ARG 490 CO -0.01 0.99 0.24 -0.22 -1.07 0.00 0.00 179.97 179.90 1c2p h LYS 491 N 0.94 0.72 0.00 0.04 3.64 -0.97 -3.07 116.57 117.87 1c2p h LYS 491 Ca 0.17 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1c2p h LYS 491 Cb 0.53 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1c2p h LYS 491 CO 0.03 0.60 -0.47 1.28 -2.27 0.00 0.00 179.45 178.62 1c2p n LEU 492 N -4.61 0.67 -0.49 5.20 4.32 -0.48 -4.91 117.00 116.69 1c2p n LEU 492 Ca 0.02 0.28 -0.01 0.00 -0.02 0.00 0.00 56.01 56.27 1c2p n LEU 492 Cb 0.12 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1c2p n LEU 492 CO 0.37 -0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1c2p n GLY 493 N 1.36 0.69 3.85 -0.72 0.00 0.59 -2.16 105.19 108.79 1c2p n GLY 493 Ca 0.04 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 1c2p n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c2p s VAL 494 N -2.69 5.08 0.51 1.61 1.01 0.16 -1.38 120.40 124.70 1c2p s VAL 494 Ca 0.02 0.71 -0.23 0.00 0.00 0.00 0.00 61.98 62.49 1c2p s VAL 494 Cb -0.01 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1c2p s VAL 494 CO 0.03 0.52 1.29 -2.65 0.00 0.00 0.00 175.10 174.29 1c2p n PRO 495 N 1.64 1.68 -1.37 2.72 -0.02 -1.26 -4.54 135.00 133.85 1c2p n PRO 495 Ca -0.13 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 1c2p n PRO 495 Cb 0.53 -2.47 0.09 0.00 -0.02 0.00 0.00 33.50 31.63 1c2p n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1c2p s PRO 496 N -2.66 2.12 0.42 0.52 0.04 -1.26 -4.81 135.00 129.37 1c2p s PRO 496 Ca 0.69 1.59 0.24 0.00 0.04 0.00 0.00 61.00 63.56 1c2p s PRO 496 Cb -0.44 -1.85 1.26 0.00 0.04 0.00 0.00 34.50 33.51 1c2p s PRO 496 CO 0.52 -1.81 1.69 -0.07 0.04 0.00 0.00 177.00 177.37 1c2p h LEU 497 N -0.54 0.34 -1.46 -3.56 3.38 -1.99 0.49 115.31 111.98 1c2p h LEU 497 Ca -0.46 0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.64 1c2p h LEU 497 Cb 1.27 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 1c2p h LEU 497 CO 0.50 -0.06 0.38 0.08 0.09 0.00 0.00 178.44 179.43 1c2p h ARG 498 N 0.23 0.71 -0.31 1.13 0.11 -2.00 0.02 114.38 114.27 1c2p h ARG 498 Ca 0.71 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 60.64 1c2p h ARG 498 Cb 2.04 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 32.95 1c2p h ARG 498 CO -0.37 0.47 -0.21 0.28 0.10 0.00 0.00 179.97 180.24 1c2p h VAL 499 N 0.73 1.29 -0.70 0.08 2.07 -1.24 -2.41 116.25 116.08 1c2p h VAL 499 Ca 0.22 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1c2p h VAL 499 Cb -0.00 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1c2p h VAL 499 CO -0.05 0.43 0.32 -0.50 0.02 0.00 0.00 177.57 177.79 1c2p h TRP 500 N 0.45 1.00 -0.53 1.57 4.06 -1.17 -0.56 115.95 120.79 1c2p h TRP 500 Ca 0.06 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 1c2p h TRP 500 Cb 0.75 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.58 1c2p h TRP 500 CO 0.06 0.74 0.31 -0.09 -3.56 0.00 0.00 178.44 175.91 1c2p h ARG 501 N 1.00 0.72 -0.03 0.49 2.43 -0.85 0.11 114.38 118.25 1c2p h ARG 501 Ca 0.24 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1c2p h ARG 501 Cb 0.12 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1c2p h ARG 501 CO -0.03 0.53 0.01 1.25 -1.51 0.00 0.00 179.97 180.22 1c2p h HIS 502 N 0.71 0.02 -0.66 2.20 2.76 -0.86 -2.68 115.15 116.63 1c2p h HIS 502 Ca 0.19 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1c2p h HIS 502 Cb -0.00 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 1c2p h HIS 502 CO -0.02 0.01 0.30 0.00 -1.30 0.00 0.00 177.93 176.92 1c2p h ARG 503 N 0.02 0.95 -0.86 5.26 3.08 -0.79 -2.88 114.38 119.16 1c2p h ARG 503 Ca 0.01 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1c2p h ARG 503 Cb 0.00 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.83 1c2p h ARG 503 CO -0.01 0.75 0.56 0.00 -1.07 0.00 0.00 179.97 180.20 1c2p h ALA 504 N 1.39 1.11 -0.96 0.04 0.00 -0.47 -0.65 119.26 119.71 1c2p h ALA 504 Ca 0.23 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1c2p h ALA 504 Cb 0.12 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 1c2p h ALA 504 CO -0.03 0.44 0.62 0.00 0.00 0.00 0.00 179.25 180.29 1c2p h ARG 505 N 1.12 1.02 0.04 0.00 3.08 -1.27 0.43 114.38 118.80 1c2p h ARG 505 Ca 0.33 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 1c2p h ARG 505 Cb -0.07 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.75 1c2p h ARG 505 CO -0.09 0.67 -0.02 1.03 -1.07 0.00 0.00 179.97 180.49 1c2p h SER 506 N 1.05 -0.05 -0.68 7.04 0.87 -1.35 -1.70 113.55 118.73 1c2p h SER 506 Ca 0.43 -0.40 0.08 0.00 -1.23 0.00 0.00 61.79 60.67 1c2p h SER 506 Cb 0.29 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 1c2p h SER 506 CO -0.19 0.38 0.35 0.58 -0.53 0.00 0.00 176.83 177.43 1c2p h VAL 507 N -0.49 0.89 0.04 2.23 2.07 -0.41 -0.51 116.25 120.07 1c2p h VAL 507 Ca -0.01 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1c2p h VAL 507 Cb 0.45 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1c2p h VAL 507 CO 0.01 0.11 -0.07 -0.09 0.02 0.00 0.00 177.57 177.56 1c2p h ARG 508 N 0.62 -0.13 -0.87 1.57 2.43 -0.09 -0.03 114.38 117.88 1c2p h ARG 508 Ca 0.32 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1c2p h ARG 508 Cb 0.29 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 1c2p h ARG 508 CO -0.23 -0.09 0.57 0.00 -1.51 0.00 0.00 179.97 178.71 1c2p h ALA 509 N 0.81 1.11 -0.43 2.80 0.00 -0.90 0.66 119.26 123.32 1c2p h ALA 509 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1c2p h ALA 509 Cb 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1c2p h ALA 509 CO -0.04 0.48 0.20 0.00 0.00 0.00 0.00 179.25 179.89 1c2p h ARG 510 N 1.16 0.62 -0.25 0.00 3.08 -0.65 -0.29 114.38 118.05 1c2p h ARG 510 Ca 0.33 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1c2p h ARG 510 Cb -0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1c2p h ARG 510 CO -0.08 0.55 0.11 -0.07 -1.07 0.00 0.00 179.97 179.40 1c2p h LEU 511 N 0.55 0.34 -1.00 3.04 3.38 -0.52 -2.90 115.31 118.20 1c2p h LEU 511 Ca 0.15 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1c2p h LEU 511 Cb 0.14 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1c2p h LEU 511 CO -0.02 0.40 0.65 -0.07 0.09 0.00 0.00 178.44 179.50 1c2p h LEU 512 N 0.26 1.08 -2.20 1.67 3.38 -0.62 -1.68 115.31 117.20 1c2p h LEU 512 Ca 0.08 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1c2p h LEU 512 Cb 0.16 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1c2p h LEU 512 CO -0.01 0.73 0.09 0.28 0.09 0.00 0.00 178.44 179.62 1c2p h SER 513 N 1.24 0.00 1.39 -0.43 0.02 -0.85 -1.08 113.55 113.84 1c2p h SER 513 Ca 0.41 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.33 1c2p h SER 513 Cb 0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1c2p h SER 513 CO -0.14 0.00 -0.10 1.56 -1.14 0.00 0.00 176.83 177.01 1c2p h GLN 514 N 0.00 0.00 0.00 3.45 1.08 -1.22 -3.50 115.11 114.93 1c2p h GLN 514 Ca 0.05 0.00 0.25 0.00 -1.45 0.00 0.00 58.65 57.50 1c2p h GLN 514 Cb 0.22 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.59 1c2p h GLN 514 CO -0.00 0.10 -0.33 0.41 -0.95 0.00 0.00 178.83 178.06 1c2p n GLY 515 N 0.56 -1.93 7.00 3.46 0.00 -0.41 -4.84 105.19 109.03 1c2p n GLY 515 Ca 0.02 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1c2p n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2p n GLY 516 N -2.95 1.32 0.27 -0.02 0.00 -1.26 -2.57 105.19 99.97 1c2p n GLY 516 Ca 0.01 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.49 1c2p n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1c2p h ARG 517 N 0.00 0.18 -0.93 1.61 3.08 -1.96 -1.06 114.38 115.29 1c2p h ARG 517 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1c2p h ARG 517 Cb 0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1c2p h ARG 517 CO 0.00 0.17 0.57 0.00 -1.07 0.00 0.00 179.97 179.63 1c2p h ALA 518 N 1.87 1.18 -0.21 0.04 0.00 -1.81 -1.28 119.26 119.05 1c2p h ALA 518 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1c2p h ALA 518 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1c2p h ALA 518 CO -0.00 0.63 0.13 0.00 0.00 0.00 0.00 179.25 180.01 1c2p h ALA 519 N 1.31 0.26 -0.74 0.00 0.00 -0.93 -1.33 119.26 117.83 1c2p h ALA 519 Ca 0.33 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.30 1c2p h ALA 519 Cb -0.07 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1c2p h ALA 519 CO -0.06 -0.24 0.40 1.15 0.00 0.00 0.00 179.25 180.49 1c2p h THR 520 N 0.27 0.90 -0.71 0.00 2.02 -1.11 0.24 112.91 114.51 1c2p h THR 520 Ca 0.08 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.05 1c2p h THR 520 Cb -0.00 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 66.51 1c2p h THR 520 CO -0.02 0.13 0.44 0.00 0.37 0.00 0.00 175.52 176.44 1c2p h GLY 522 N 0.86 0.57 0.93 0.00 0.00 -0.03 -1.08 103.07 104.33 1c2p h GLY 522 Ca 0.29 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1c2p h GLY 522 CO -0.12 0.35 -0.37 1.70 0.00 0.00 0.00 176.54 178.11 1c2p h LYS 523 N 0.36 -0.95 0.05 4.80 3.64 -0.05 -2.83 116.57 121.60 1c2p h LYS 523 Ca 0.10 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1c2p h LYS 523 Cb 0.35 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1c2p h LYS 523 CO 0.01 -0.63 -0.03 1.88 -2.27 0.00 0.00 179.45 178.41 1c2p h TYR 524 N -0.98 -0.07 -0.04 1.91 -1.99 -0.84 -3.11 116.97 111.85 1c2p h TYR 524 Ca -0.09 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.59 1c2p h TYR 524 Cb 0.77 0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.52 1c2p h TYR 524 CO -0.06 0.54 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.37 1c2p h LEU 525 N -0.89 0.06 -3.19 3.88 3.38 -1.35 -3.24 115.31 113.97 1c2p h LEU 525 Ca -0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1c2p h LEU 525 Cb 0.64 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1c2p h LEU 525 CO 0.01 0.27 -0.10 0.49 0.09 0.00 0.00 178.44 179.21 1c2p n PHE 526 N -4.27 0.63 0.23 1.13 3.72 -1.07 -4.61 117.46 113.22 1c2p n PHE 526 Ca -0.02 -1.24 0.07 0.00 -0.05 0.00 0.00 57.45 56.21 1c2p n PHE 526 Cb 0.28 -0.32 0.54 0.00 -0.94 0.00 0.00 39.48 39.03 1c2p n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1c2p h ASN 527 N 0.99 0.00 0.26 4.37 -0.00 -1.57 -1.14 115.58 118.49 1c2p h ASN 527 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.37 1c2p h ASN 527 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.66 1c2p h ASN 527 CO 0.19 0.19 0.00 4.11 -0.00 0.00 0.00 177.43 181.92 1c2p h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.82 -2.93 115.95 116.96 1c2p h TRP 528 Ca -0.00 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 59.77 1c2p h TRP 528 Cb 0.36 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.49 1c2p h TRP 528 CO 0.00 0.00 -1.00 0.00 -1.28 0.00 0.00 178.44 176.16 1c2p h ALA 529 N 2.04 0.48 -2.35 0.11 0.00 -1.56 -3.47 119.26 114.51 1c2p h ALA 529 Ca 0.00 -0.88 -0.50 0.00 0.00 0.00 0.00 54.91 53.53 1c2p h ALA 529 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1c2p h ALA 529 CO 0.00 1.15 -0.05 0.14 0.00 0.00 0.00 179.25 180.49 1c2p s VAL 530 N -2.76 4.96 -0.04 0.00 -7.23 -1.11 -4.87 120.40 109.36 1c2p s VAL 530 Ca 0.01 0.12 -0.22 0.00 -1.81 0.00 0.00 61.98 60.08 1c2p s VAL 530 Cb 0.09 -3.78 -0.17 0.00 0.56 0.00 0.00 36.38 33.09 1c2p s VAL 530 CO 0.80 -0.50 0.96 0.11 -0.31 0.00 0.00 175.10 176.17 1c2p h LYS 531 N 1.18 -0.19 -5.39 4.82 1.57 -1.91 -3.38 116.57 113.26 1c2p h LYS 531 Ca -0.48 0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 57.68 1c2p h LYS 531 Cb 1.20 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.40 1c2p h LYS 531 CO 0.64 0.25 0.48 0.99 -0.57 0.00 0.00 179.45 181.25 1c2p s THR 532 N -3.63 4.40 0.95 -0.16 2.01 -1.26 -5.02 115.64 112.93 1c2p s THR 532 Ca -0.13 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 1c2p s THR 532 Cb 0.01 -4.64 0.16 0.00 0.01 0.00 0.00 72.50 68.04 1c2p s THR 532 CO 0.52 -1.37 1.09 -0.54 -0.69 0.00 0.00 174.62 173.62 1c2p s LYS 533 N 3.87 0.80 0.50 4.92 -0.14 -1.26 -5.06 119.74 123.37 1c2p s LYS 533 Ca 0.22 0.95 0.08 0.00 -1.36 0.00 0.00 55.97 55.85 1c2p s LYS 533 Cb -0.17 -1.75 0.03 0.00 -1.68 0.00 0.00 37.83 34.26 1c2p s LYS 533 CO 0.11 -2.59 0.52 -0.51 -0.76 0.00 0.00 175.35 172.12 1c2p s LEU 534 N -6.47 3.15 0.00 3.17 1.02 -1.26 -5.07 118.68 113.21 1c2p s LEU 534 Ca 0.65 -0.88 0.00 0.00 0.02 0.00 0.00 54.13 53.92 1c2p s LEU 534 Cb -0.20 -1.76 0.00 0.00 0.02 0.00 0.00 46.19 44.25 1c2p s LEU 534 CO 0.59 -0.98 0.97 2.29 0.02 0.00 0.00 176.35 179.23 1c2p n LYS 535 N -1.83 0.00 -2.16 1.70 2.85 -1.26 -5.01 118.16 112.45 1c2p n LYS 535 Ca 0.06 0.65 -0.00 0.00 -1.05 0.00 0.00 58.31 57.97 1c2p n LYS 535 Cb 0.62 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 1c2p n LYS 535 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1c2p n LEU 536 N -2.26 -5.24 -4.67 -5.58 4.32 -1.26 -5.10 117.00 97.22 1c2p n LEU 536 Ca 0.00 0.72 -0.26 0.00 -0.02 0.00 0.00 56.01 56.45 1c2p n LEU 536 Cb 0.00 -2.27 -0.09 0.00 -1.62 0.00 0.00 43.42 39.44 1c2p n LEU 536 CO 0.00 -1.69 -0.24 0.42 -1.22 0.00 0.00 177.39 174.66 1c2p s THR 537 N -0.98 2.21 0.24 -5.08 -4.23 -1.26 -5.09 115.64 101.46 1c2p s THR 537 Ca 0.01 -1.88 -0.31 0.00 -1.18 0.00 0.00 61.69 58.33 1c2p s THR 537 Cb -0.00 -2.96 -0.13 0.00 1.34 0.00 0.00 72.50 70.75 1c2p s THR 537 CO 0.42 -0.04 1.51 -2.65 -0.54 0.00 0.00 174.62 173.33 1c2p n PRO 538 N -1.07 2.31 -2.72 3.99 -0.02 -1.26 -4.94 135.00 131.29 1c2p n PRO 538 Ca -0.03 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 61.84 1c2p n PRO 538 Cb 0.65 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1c2p n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1c2p s ILE 539 N 0.20 4.69 0.20 4.25 1.01 -1.26 -4.96 121.20 125.33 1c2p s ILE 539 Ca 0.69 1.84 -0.15 0.00 0.00 0.00 0.00 60.65 63.04 1c2p s ILE 539 Cb -0.60 -4.28 0.19 0.00 0.01 0.00 0.00 42.46 37.79 1c2p s ILE 539 CO 0.46 -0.21 1.64 -0.65 0.00 0.00 0.00 174.94 176.18 1c2p h PRO 540 N 7.64 -0.00 0.00 2.79 0.11 -2.04 -2.15 132.00 138.34 1c2p h PRO 540 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1c2p h PRO 540 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1c2p h PRO 540 CO 0.96 -0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 1c2p n ALA 541 N -2.96 1.54 -0.33 -0.75 0.00 -1.26 -3.46 120.51 113.29 1c2p n ALA 541 Ca 0.06 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.60 1c2p n ALA 541 Cb 0.30 -1.35 0.19 0.00 0.00 0.00 0.00 19.45 18.59 1c2p n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c2p h ALA 542 N 2.24 1.42 0.00 0.00 0.00 -1.74 -2.39 119.26 118.79 1c2p h ALA 542 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1c2p h ALA 542 Cb 0.28 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1c2p h ALA 542 CO 0.00 0.48 -0.01 0.66 0.00 0.00 0.00 179.25 180.38 1c2p h SER 543 N 1.15 0.00 0.95 0.00 4.64 -1.75 -2.61 113.55 115.93 1c2p h SER 543 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1c2p h SER 543 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1c2p h SER 543 CO -0.12 0.01 -0.17 0.00 -0.87 0.00 0.00 176.83 175.67 1c2p n GLN 544 N -3.50 0.07 -2.13 4.77 10.64 -0.90 -4.85 117.38 121.48 1c2p n GLN 544 Ca -0.03 0.04 -0.42 0.00 -1.83 0.00 0.00 57.00 54.76 1c2p n GLN 544 Cb 0.09 -1.57 -0.03 0.00 -0.86 0.00 0.00 30.24 27.87 1c2p n GLN 544 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1c2p s LEU 545 N -3.37 4.32 -1.02 2.61 1.43 -0.99 -4.54 118.68 117.12 1c2p s LEU 545 Ca 0.12 2.19 -0.23 0.00 -1.03 0.00 0.00 54.13 55.18 1c2p s LEU 545 Cb 0.17 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.88 1c2p s LEU 545 CO 0.60 -0.80 1.47 -0.62 0.23 0.00 0.00 176.35 177.22 1c2p s ASP 546 N 2.30 6.46 0.00 2.29 -1.08 -0.75 -4.76 116.67 121.13 1c2p s ASP 546 Ca 0.67 -1.43 0.22 0.00 -0.52 0.00 0.00 52.55 51.49 1c2p s ASP 546 Cb -0.33 -2.57 0.56 0.00 -1.46 0.00 0.00 42.92 39.12 1c2p s ASP 546 CO 0.27 -1.54 1.46 0.18 0.52 0.00 0.00 175.17 176.06 1c2p n LEU 547 N 9.03 2.63 -4.75 -1.34 4.32 -1.26 -4.72 117.00 120.92 1c2p n LEU 547 Ca 0.33 -1.11 -0.41 0.00 -0.02 0.00 0.00 56.01 54.81 1c2p n LEU 547 Cb 0.51 -0.17 -0.03 0.00 -1.62 0.00 0.00 43.42 42.11 1c2p n LEU 547 CO 0.66 0.55 0.97 -0.94 -1.22 0.00 0.00 177.39 177.41 1c2p s SER 548 N -1.54 6.90 0.00 -1.43 1.04 -1.26 -2.48 113.70 114.93 1c2p s SER 548 Ca 0.35 2.45 0.00 0.00 0.48 0.00 0.00 55.95 59.23 1c2p s SER 548 Cb 0.20 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1c2p s SER 548 CO 0.29 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1c2p n GLY 549 N 1.96 2.66 0.19 7.32 0.00 -1.26 -4.95 105.19 111.11 1c2p n GLY 549 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1c2p n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1c2p h TRP 550 N 0.00 0.62 -2.16 1.61 4.06 -1.85 -3.35 115.95 114.88 1c2p h TRP 550 Ca 0.00 -0.10 -0.59 0.00 2.06 0.00 0.00 58.89 60.27 1c2p h TRP 550 Cb 0.00 -0.16 -0.41 0.00 -1.00 0.00 0.00 29.16 27.58 1c2p h TRP 550 CO 0.00 0.66 -0.72 1.19 -3.56 0.00 0.00 178.44 176.01 1c2p n PHE 551 N -4.56 2.81 -0.04 0.49 3.72 -1.26 -4.80 117.46 113.82 1c2p n PHE 551 Ca -0.02 -4.01 -0.09 0.00 -0.05 0.00 0.00 57.45 53.28 1c2p n PHE 551 Cb 0.24 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.25 1c2p n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1c2p n VAL 552 N 0.77 0.58 -3.93 -4.37 0.31 -1.19 -4.29 118.33 106.22 1c2p n VAL 552 Ca 0.28 -0.09 -0.09 0.00 -0.01 0.00 0.00 64.34 64.43 1c2p n VAL 552 Cb 0.44 -1.65 -0.07 0.00 -0.91 0.00 0.00 33.84 31.66 1c2p n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1c2p s ALA 553 N -2.18 -0.08 0.17 3.52 0.00 -1.25 -3.83 121.76 118.12 1c2p s ALA 553 Ca -0.13 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 1c2p s ALA 553 Cb 0.05 0.78 -0.07 0.00 0.00 0.00 0.00 23.12 23.88 1c2p s ALA 553 CO 0.16 -0.62 0.52 0.20 0.00 0.00 0.00 175.76 176.02 1c2p s GLY 554 N -2.94 2.36 -0.00 0.00 0.00 -1.26 -4.95 107.32 100.52 1c2p s GLY 554 Ca 0.14 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.63 1c2p s GLY 554 CO -0.02 -0.04 0.97 -1.72 0.00 0.00 0.00 173.10 172.29 1c2p n TYR 555 N 0.38 0.00 -1.65 1.90 4.01 -0.59 -4.57 117.16 116.64 1c2p n TYR 555 Ca -0.03 -0.04 -0.52 0.00 -0.16 0.00 0.00 57.90 57.15 1c2p n TYR 555 Cb 0.52 -0.05 -0.06 0.00 -0.31 0.00 0.00 39.34 39.44 1c2p n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1c2p n SER 556 N -0.05 2.28 0.00 7.72 2.88 -1.25 0.11 113.62 125.30 1c2p n SER 556 Ca 0.01 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1c2p n SER 556 Cb 0.68 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1c2p n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c2p n GLY 557 N 3.36 0.74 0.25 0.46 0.00 -1.26 -4.14 105.19 104.61 1c2p n GLY 557 Ca 0.21 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.38 1c2p n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2p n GLY 558 N -2.01 -0.53 3.59 -0.02 0.00 0.29 -2.87 105.19 103.65 1c2p n GLY 558 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1c2p n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c2p n ASP 559 N -0.46 -3.73 -4.56 1.61 2.03 -1.26 -4.52 116.55 105.66 1c2p n ASP 559 Ca 0.19 -0.64 -0.34 0.00 0.52 0.00 0.00 54.79 54.52 1c2p n ASP 559 Cb 0.27 -4.79 -0.12 0.00 -0.72 0.00 0.00 41.12 35.77 1c2p n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1c2p s ILE 560 N -3.39 3.74 0.06 5.18 -1.09 -1.26 -4.32 121.20 120.12 1c2p s ILE 560 Ca 0.28 -0.45 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 1c2p s ILE 560 Cb -0.13 -2.56 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 1c2p s ILE 560 CO 0.75 0.57 -0.07 -0.47 -1.23 0.00 0.00 174.94 174.50 1c2p s TYR 561 N -0.50 0.72 -0.02 3.97 5.04 0.11 -0.73 117.35 125.94 1c2p s TYR 561 Ca 0.07 -0.67 -0.17 0.00 -2.44 0.00 0.00 57.07 53.86 1c2p s TYR 561 Cb -0.12 -0.43 0.03 0.00 0.35 0.00 0.00 41.96 41.79 1c2p s TYR 561 CO 0.02 -0.12 0.37 -1.01 -1.34 0.00 0.00 175.55 173.47 1c2p s HIS 562 N -2.25 -0.25 0.02 4.97 3.76 -0.04 -4.62 115.29 116.88 1c2p s HIS 562 Ca -0.02 0.39 0.03 0.00 -0.15 0.00 0.00 55.06 55.31 1c2p s HIS 562 Cb -0.04 0.15 -0.04 0.00 1.11 0.00 0.00 32.58 33.76 1c2p s HIS 562 CO -0.02 -0.43 -0.05 -1.12 -0.85 0.00 0.00 174.74 172.27 1c2p s SER 563 N -1.34 4.76 0.02 1.40 0.01 -1.26 -3.06 113.70 114.23 1c2p s SER 563 Ca -0.13 -0.15 -0.30 0.00 1.31 0.00 0.00 55.95 56.68 1c2p s SER 563 Cb -0.04 -1.12 -0.06 0.00 0.21 0.00 0.00 66.02 65.01 1c2p s SER 563 CO 0.05 0.26 1.35 -0.22 0.41 0.00 0.00 173.24 175.09 1c2p s LEU 564 N -1.64 4.33 0.03 2.44 2.96 -1.10 -4.93 118.68 120.76 1c2p s LEU 564 Ca 0.19 2.11 0.02 0.00 -0.22 0.00 0.00 54.13 56.22 1c2p s LEU 564 Cb -0.11 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1c2p s LEU 564 CO 0.10 -0.66 -0.06 -0.44 -1.32 0.00 0.00 176.35 173.97 1c2p s SER 565 N 1.60 0.64 0.00 3.68 0.01 -1.26 -5.02 113.70 113.34 1c2p s SER 565 Ca 0.62 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1c2p s SER 565 Cb -0.31 0.03 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1c2p s SER 565 CO 0.27 -0.17 0.43 -2.11 0.41 0.00 0.00 173.24 172.07