#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i n TYR 12 N 0.00 0.00 0.40 0.00 9.36 -1.26 -4.96 117.16 120.70 1s1i n TYR 12 Ca 0.00 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.27 1s1i n TYR 12 Cb 0.00 0.00 0.23 0.00 -0.63 0.00 0.00 39.34 38.94 1s1i n TYR 12 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1s1i n SER 13 N 0.00 0.00 0.00 2.98 3.41 -1.26 -4.76 113.62 113.99 1s1i n SER 13 Ca 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1s1i n SER 13 Cb 0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1s1i n SER 13 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1s1i n SER 14 N -1.41 -3.50 -0.17 4.04 7.64 -1.26 -4.81 113.62 114.14 1s1i n SER 14 Ca 0.03 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.83 1s1i n SER 14 Cb 0.10 -1.53 0.05 0.00 -1.01 0.00 0.00 64.21 61.82 1s1i n SER 14 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1s1i h ARG 15 N 0.81 0.99 -7.18 1.43 9.65 -2.03 -3.41 114.38 114.64 1s1i h ARG 15 Ca 0.00 -0.33 -0.49 0.00 -1.10 0.00 0.00 59.98 58.05 1s1i h ARG 15 Cb 0.32 -0.08 0.03 0.00 -1.39 0.00 0.00 29.97 28.86 1s1i h ARG 15 CO 0.00 1.01 0.32 -0.06 2.80 0.00 0.00 179.97 184.04 1s1i s PHE 16 N -4.91 3.54 -0.05 2.20 0.08 -1.26 -5.07 117.98 112.51 1s1i s PHE 16 Ca -0.11 1.25 0.04 0.00 0.12 0.00 0.00 56.93 58.23 1s1i s PHE 16 Cb 0.14 -2.65 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 1s1i s PHE 16 CO 0.85 -0.45 -0.16 1.14 -0.10 0.00 0.00 175.22 176.50 1s1i s GLN 17 N -4.58 2.46 -0.04 0.44 0.00 -1.26 -4.97 119.66 111.71 1s1i s GLN 17 Ca 0.55 -0.73 -0.02 0.00 -0.00 0.00 0.00 55.36 55.15 1s1i s GLN 17 Cb -0.10 -2.33 -0.04 0.00 0.00 0.00 0.00 33.01 30.54 1s1i s GLN 17 CO 0.42 0.60 0.09 0.99 0.00 0.00 0.00 175.29 177.40 1s1i s THR 18 N -0.68 4.89 -0.75 3.63 2.01 -1.26 -4.97 115.64 118.51 1s1i s THR 18 Ca 0.11 -0.22 0.24 0.00 0.31 0.00 0.00 61.69 62.13 1s1i s THR 18 Cb -0.11 -3.19 0.24 0.00 0.01 0.00 0.00 72.50 69.45 1s1i s THR 18 CO 0.00 0.45 1.74 -2.65 -0.69 0.00 0.00 174.62 173.47 1s1i n PRO 19 N 1.50 0.15 -2.04 4.92 -0.02 -1.26 -4.91 135.00 133.34 1s1i n PRO 19 Ca -0.15 0.24 -0.35 0.00 -2.02 0.00 0.00 63.50 61.22 1s1i n PRO 19 Cb 0.53 -1.72 0.03 0.00 -0.02 0.00 0.00 33.50 32.32 1s1i n PRO 19 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1s1i s PHE 20 N -3.13 2.52 0.00 6.00 -0.12 -1.26 -4.84 117.98 117.15 1s1i s PHE 20 Ca 0.09 1.54 0.00 0.00 -0.05 0.00 0.00 56.93 58.51 1s1i s PHE 20 Cb 0.12 -3.35 0.00 0.00 -0.63 0.00 0.00 43.02 39.16 1s1i s PHE 20 CO 0.47 -1.89 0.00 -2.13 -0.05 0.00 0.00 175.22 171.62 1s1i n ARG 21 N -1.67 0.00 0.21 1.99 3.00 -1.26 -4.82 116.66 114.11 1s1i n ARG 21 Ca 0.12 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 58.02 1s1i n ARG 21 Cb 0.51 0.00 0.45 0.00 0.00 0.00 0.00 32.46 33.42 1s1i n ARG 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s1i h ARG 22 N 0.00 0.00 0.00 -0.14 2.47 -1.90 -3.40 114.38 111.41 1s1i h ARG 22 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1s1i h ARG 22 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1s1i h ARG 22 CO 0.00 0.25 0.00 0.54 0.56 0.00 0.00 179.97 181.32 1s1i n ARG 23 N -4.22 0.03 0.00 0.04 5.12 -1.26 -3.70 116.66 112.66 1s1i n ARG 23 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1s1i n ARG 23 Cb 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.61 1s1i n ARG 23 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1s1i n ARG 24 N -0.66 0.00 -1.93 5.56 0.63 -1.26 -4.54 116.66 114.46 1s1i n ARG 24 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1s1i n ARG 24 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 1s1i n ARG 24 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1s1i s GLU 25 N 0.00 4.22 0.42 -0.14 0.41 -1.26 -4.84 118.70 117.51 1s1i s GLU 25 Ca 0.00 2.39 -0.25 0.00 -0.41 0.00 0.00 54.97 56.70 1s1i s GLU 25 Cb 0.00 -3.09 -0.08 0.00 -1.78 0.00 0.00 34.13 29.18 1s1i s GLU 25 CO 0.00 -0.51 1.31 0.20 -0.49 0.00 0.00 175.26 175.77 1s1i s GLY 26 N 0.53 2.91 0.00 -1.39 0.00 -1.26 -4.83 107.32 103.28 1s1i s GLY 26 Ca 0.62 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.59 1s1i s GLY 26 CO 0.42 1.82 0.00 0.28 0.00 0.00 0.00 173.10 175.62 1s1i n LYS 27 N -0.03 0.00 -2.32 2.90 4.76 -1.24 -5.02 118.16 117.21 1s1i n LYS 27 Ca 0.05 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.24 1s1i n LYS 27 Cb 0.44 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.69 1s1i n LYS 27 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1s1i s THR 28 N 0.00 2.35 0.56 -0.18 -4.23 -1.26 -4.61 115.64 108.27 1s1i s THR 28 Ca 0.00 -0.37 0.05 0.00 -1.18 0.00 0.00 61.69 60.19 1s1i s THR 28 Cb 0.00 -2.97 0.05 0.00 1.34 0.00 0.00 72.50 70.92 1s1i s THR 28 CO 0.00 0.00 0.42 -0.62 -0.54 0.00 0.00 174.62 173.88 1s1i s ASP 29 N -4.52 4.61 0.12 3.99 -1.08 -1.26 -4.70 116.67 113.82 1s1i s ASP 29 Ca 0.60 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.34 1s1i s ASP 29 Cb -0.10 0.56 -0.04 0.00 -1.46 0.00 0.00 42.92 41.87 1s1i s ASP 29 CO 0.43 -1.18 -0.00 -0.31 0.52 0.00 0.00 175.17 174.63 1s1i s TYR 30 N -2.81 0.91 -0.79 -5.34 2.02 -1.26 -4.66 117.35 105.43 1s1i s TYR 30 Ca 0.32 -1.07 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1s1i s TYR 30 Cb -0.03 -0.54 0.00 0.00 -0.40 0.00 0.00 41.96 41.00 1s1i s TYR 30 CO 0.21 -0.32 0.00 0.98 -1.57 0.00 0.00 175.55 174.85 1s1i n TYR 31 N -0.09 0.00 -3.65 2.71 9.36 -1.26 -4.84 117.16 119.39 1s1i n TYR 31 Ca -0.09 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.12 1s1i n TYR 31 Cb 0.62 -1.65 -0.05 0.00 -0.63 0.00 0.00 39.34 37.64 1s1i n TYR 31 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1s1i s GLN 32 N -2.38 0.02 0.00 2.98 -0.44 -1.26 -4.75 119.66 113.83 1s1i s GLN 32 Ca 0.00 0.01 0.00 0.00 -2.50 0.00 0.00 55.36 52.87 1s1i s GLN 32 Cb 0.00 0.01 0.00 0.00 -1.64 0.00 0.00 33.01 31.38 1s1i s GLN 32 CO 0.00 -0.01 0.00 2.89 0.50 0.00 0.00 175.29 178.67 1s1i n ARG 33 N 0.85 0.00 0.03 1.67 -4.01 -1.26 -4.47 116.66 109.47 1s1i n ARG 33 Ca -0.03 0.00 -0.15 0.00 -1.04 0.00 0.00 57.85 56.63 1s1i n ARG 33 Cb 0.58 -1.25 -0.14 0.00 -3.04 0.00 0.00 32.46 28.61 1s1i n ARG 33 CO 0.00 0.00 0.00 -0.22 -3.04 0.00 0.00 177.63 174.37 1s1i h LYS 34 N 1.38 0.18 0.35 2.89 3.11 -1.88 -3.37 116.57 119.23 1s1i h LYS 34 Ca 0.00 -0.30 -0.01 0.00 -2.81 0.00 0.00 60.65 57.53 1s1i h LYS 34 Cb 0.00 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 1s1i h LYS 34 CO 0.00 0.97 -0.33 -0.09 -2.81 0.00 0.00 179.45 177.19 1s1i h ARG 35 N 0.05 -0.65 -7.10 1.90 9.65 -1.85 -3.31 114.38 113.07 1s1i h ARG 35 Ca -0.28 0.04 -0.51 0.00 -1.10 0.00 0.00 59.98 58.14 1s1i h ARG 35 Cb 2.01 0.15 0.09 0.00 -1.39 0.00 0.00 29.97 30.82 1s1i h ARG 35 CO 0.12 -0.43 0.44 -0.48 2.80 0.00 0.00 179.97 182.42 1s1i s LEU 36 N -8.09 3.70 0.00 3.80 0.05 -1.26 -3.21 118.68 113.67 1s1i s LEU 36 Ca -0.12 2.24 0.00 0.00 0.05 0.00 0.00 54.13 56.30 1s1i s LEU 36 Cb 0.03 -4.59 0.00 0.00 -2.05 0.00 0.00 46.19 39.58 1s1i s LEU 36 CO 0.39 -1.36 0.00 0.55 -0.55 0.00 0.00 176.35 175.37 1s1i n VAL 37 N -1.45 0.00 -0.15 1.48 3.14 -1.26 -4.38 118.33 115.71 1s1i n VAL 37 Ca 0.12 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.42 1s1i n VAL 37 Cb 0.51 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.29 1s1i n VAL 37 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1s1i h THR 38 N 0.00 1.15 -2.50 1.55 1.35 -1.63 -3.23 112.91 109.60 1s1i h THR 38 Ca 0.00 -0.36 -0.53 0.00 -0.55 0.00 0.00 66.41 64.97 1s1i h THR 38 Cb 0.00 0.58 -0.05 0.00 -1.73 0.00 0.00 68.15 66.95 1s1i h THR 38 CO 0.00 0.15 1.20 -1.10 -0.25 0.00 0.00 175.52 175.52 1s1i s GLN 39 N -5.94 3.08 -0.18 4.72 1.11 -1.26 -4.84 119.66 116.35 1s1i s GLN 39 Ca -0.13 0.57 -0.29 0.00 0.01 0.00 0.00 55.36 55.53 1s1i s GLN 39 Cb 0.11 -4.22 -0.05 0.00 -1.01 0.00 0.00 33.01 27.84 1s1i s GLN 39 CO 0.74 -2.20 2.02 -3.38 0.01 0.00 0.00 175.29 172.48 1s1i s HIS 40 N 7.09 1.41 0.17 0.91 -3.43 -1.22 -4.88 115.29 115.34 1s1i s HIS 40 Ca 0.59 0.34 0.01 0.00 -0.80 0.00 0.00 55.06 55.20 1s1i s HIS 40 Cb -0.13 -4.03 -0.04 0.00 -1.43 0.00 0.00 32.58 26.95 1s1i s HIS 40 CO 0.24 -4.09 0.04 0.15 -2.00 0.00 0.00 174.74 169.08 1s1i s LYS 41 N 5.61 1.08 0.00 -0.38 -0.14 -1.26 -4.93 119.74 119.71 1s1i s LYS 41 Ca 0.91 -1.53 0.00 0.00 -1.36 0.00 0.00 55.97 53.99 1s1i s LYS 41 Cb -0.32 -0.07 0.00 0.00 -1.68 0.00 0.00 37.83 35.76 1s1i s LYS 41 CO 0.35 -0.20 0.00 0.00 -0.76 0.00 0.00 175.35 174.74 1s1i n ALA 42 N -0.21 0.00 -0.24 5.17 0.00 -1.26 -3.96 120.51 120.00 1s1i n ALA 42 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 1s1i n ALA 42 Cb 0.64 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.13 1s1i n ALA 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1s1i h LYS 43 N 7.19 1.00 0.00 0.00 -0.00 -1.91 -3.23 116.57 119.62 1s1i h LYS 43 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 60.65 60.46 1s1i h LYS 43 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 32.23 32.07 1s1i h LYS 43 CO 0.00 0.85 0.00 2.48 -0.00 0.00 0.00 179.45 182.78 1s1i n TYR 44 N -4.39 0.00 -1.65 0.07 4.11 -1.26 -3.06 117.16 110.97 1s1i n TYR 44 Ca 0.05 0.00 -0.44 0.00 -0.00 0.00 0.00 57.90 57.51 1s1i n TYR 44 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.51 1s1i n TYR 44 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1s1i n ASN 45 N -1.33 2.18 -4.08 9.48 4.13 -1.26 -4.56 115.26 119.83 1s1i n ASN 45 Ca 0.00 1.19 -0.19 0.00 1.68 0.00 0.00 54.58 57.26 1s1i n ASN 45 Cb 0.00 -1.40 -0.14 0.00 -1.54 0.00 0.00 39.78 36.70 1s1i n ASN 45 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1s1i s THR 46 N -1.00 0.90 0.21 3.41 -1.32 -1.25 -4.87 115.64 111.72 1s1i s THR 46 Ca 0.58 -0.67 0.20 0.00 -1.21 0.00 0.00 61.69 60.58 1s1i s THR 46 Cb -0.63 -0.79 0.16 0.00 -1.51 0.00 0.00 72.50 69.73 1s1i s THR 46 CO 0.60 0.12 1.79 -0.65 -2.21 0.00 0.00 174.62 174.27 1s1i h PRO 47 N 5.48 0.00 -1.43 7.08 0.11 -1.91 -3.44 132.00 137.88 1s1i h PRO 47 Ca -0.34 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.89 1s1i h PRO 47 Cb 1.18 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.04 1s1i h PRO 47 CO 0.47 0.33 0.27 0.15 -0.21 0.00 0.00 178.00 179.01 1s1i s LYS 48 N -3.73 0.39 0.11 1.05 1.02 -1.26 -4.84 119.74 112.48 1s1i s LYS 48 Ca -0.00 0.78 0.05 0.00 0.02 0.00 0.00 55.97 56.81 1s1i s LYS 48 Cb 0.11 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.64 1s1i s LYS 48 CO 0.67 -0.10 -0.12 -0.47 -0.92 0.00 0.00 175.35 174.41 1s1i s TYR 49 N 1.82 1.22 0.30 3.18 5.04 -1.26 0.79 117.35 128.44 1s1i s TYR 49 Ca -0.07 -0.60 -0.19 0.00 -2.44 0.00 0.00 57.07 53.78 1s1i s TYR 49 Cb -0.05 -0.65 0.06 0.00 0.35 0.00 0.00 41.96 41.66 1s1i s TYR 49 CO -0.16 0.07 0.86 1.03 -1.34 0.00 0.00 175.55 176.00 1s1i s ARG 50 N -2.65 1.84 -0.48 4.97 0.52 -1.26 -4.50 118.95 117.38 1s1i s ARG 50 Ca 0.06 -1.15 0.08 0.00 -0.52 0.00 0.00 55.73 54.21 1s1i s ARG 50 Cb -0.04 0.54 0.34 0.00 0.52 0.00 0.00 34.95 36.30 1s1i s ARG 50 CO 0.02 -0.86 0.83 -0.11 0.02 0.00 0.00 175.30 175.20 1s1i n LEU 51 N -0.55 2.70 -4.34 2.53 7.94 0.24 -3.15 117.00 122.36 1s1i n LEU 51 Ca -0.06 -5.35 -0.39 0.00 -1.11 0.00 0.00 56.01 49.10 1s1i n LEU 51 Cb 0.60 0.04 0.02 0.00 0.53 0.00 0.00 43.42 44.61 1s1i n LEU 51 CO 0.22 2.31 -0.32 0.52 -1.11 0.00 0.00 177.39 179.01 1s1i n VAL 52 N 0.08 0.96 -4.02 1.96 0.31 -1.26 -4.27 118.33 112.10 1s1i n VAL 52 Ca 0.28 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 1s1i n VAL 52 Cb 0.52 -0.26 -0.17 0.00 -0.91 0.00 0.00 33.84 33.02 1s1i n VAL 52 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1s1i s VAL 53 N -1.81 0.49 0.27 2.52 1.01 -1.15 -3.46 120.40 118.27 1s1i s VAL 53 Ca 0.61 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.64 1s1i s VAL 53 Cb -0.52 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1s1i s VAL 53 CO 0.61 0.24 -0.13 -0.13 0.00 0.00 0.00 175.10 175.69 1s1i s ARG 54 N 1.28 1.59 0.02 2.72 1.81 -0.41 -3.44 118.95 122.52 1s1i s ARG 54 Ca -0.05 -1.76 0.05 0.00 -1.72 0.00 0.00 55.73 52.24 1s1i s ARG 54 Cb -0.14 -1.44 -0.02 0.00 -0.45 0.00 0.00 34.95 32.91 1s1i s ARG 54 CO -0.02 0.18 -0.15 -0.06 -0.68 0.00 0.00 175.30 174.58 1s1i s PHE 55 N -2.77 1.29 0.09 -0.53 0.40 -1.26 -2.91 117.98 112.28 1s1i s PHE 55 Ca 0.28 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.30 1s1i s PHE 55 Cb -0.00 -0.78 -0.04 0.00 0.51 0.00 0.00 43.02 42.70 1s1i s PHE 55 CO 0.12 0.02 -0.05 0.99 0.70 0.00 0.00 175.22 177.01 1s1i s THR 56 N -0.69 0.55 0.44 0.64 2.01 -0.10 -4.98 115.64 113.52 1s1i s THR 56 Ca 0.03 -1.91 -0.25 0.00 0.31 0.00 0.00 61.69 59.88 1s1i s THR 56 Cb -0.07 -1.69 -0.08 0.00 0.01 0.00 0.00 72.50 70.67 1s1i s THR 56 CO 0.01 -0.86 1.33 0.21 -0.69 0.00 0.00 174.62 174.62 1s1i s ASN 57 N -3.02 6.02 -1.48 3.53 2.47 -1.26 -2.76 114.94 118.44 1s1i s ASN 57 Ca 0.12 2.71 -0.04 0.00 0.42 0.00 0.00 52.86 56.07 1s1i s ASN 57 Cb 0.06 -2.64 0.03 0.00 -1.45 0.00 0.00 41.25 37.26 1s1i s ASN 57 CO -0.05 -1.06 0.48 2.29 -3.72 0.00 0.00 177.10 175.04 1s1i n LYS 58 N -0.20 -3.16 0.00 0.43 2.85 -1.26 -4.87 118.16 111.94 1s1i n LYS 58 Ca 0.05 0.38 0.00 0.00 -1.05 0.00 0.00 58.31 57.70 1s1i n LYS 58 Cb 0.44 -4.60 0.00 0.00 -0.65 0.00 0.00 35.03 30.21 1s1i n LYS 58 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1s1i n ASP 59 N -2.91 0.00 -4.07 -5.58 2.03 -1.11 -4.70 116.55 100.21 1s1i n ASP 59 Ca -0.23 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.87 1s1i n ASP 59 Cb 0.64 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.89 1s1i n ASP 59 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1s1i s ILE 60 N -1.18 1.03 -0.01 5.18 -1.09 -1.26 -0.92 121.20 122.94 1s1i s ILE 60 Ca 0.00 -0.53 0.05 0.00 -2.23 0.00 0.00 60.65 57.94 1s1i s ILE 60 Cb 0.00 -0.87 -0.01 0.00 -1.58 0.00 0.00 42.46 39.99 1s1i s ILE 60 CO 0.00 0.30 -0.17 -0.51 -1.23 0.00 0.00 174.94 173.33 1s1i s ILE 61 N -0.12 1.37 -0.03 2.92 2.07 -1.15 -2.73 121.20 123.53 1s1i s ILE 61 Ca 0.02 -0.74 0.04 0.00 -1.41 0.00 0.00 60.65 58.56 1s1i s ILE 61 Cb -0.07 -1.14 -0.00 0.00 0.13 0.00 0.00 42.46 41.37 1s1i s ILE 61 CO 0.00 0.39 -0.16 0.00 -1.91 0.00 0.00 174.94 173.26 1s1i n GLN 63 N 3.05 1.56 0.00 0.00 7.27 -1.22 -1.68 117.38 126.36 1s1i n GLN 63 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.90 1s1i n GLN 63 Cb 0.53 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.18 1s1i n GLN 63 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1s1i n ILE 64 N 0.00 0.00 0.00 1.69 0.13 -1.25 -4.00 119.36 115.93 1s1i n ILE 64 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1s1i n ILE 64 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1s1i n ILE 64 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 1s1i n ILE 65 N 0.00 0.00 -1.29 9.51 5.41 -1.19 -1.62 119.36 130.18 1s1i n ILE 65 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 1s1i n ILE 65 Cb 0.00 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.00 1s1i n ILE 65 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1s1i n SER 66 N 0.00 -0.91 -4.92 4.38 3.41 -1.26 -4.15 113.62 110.18 1s1i n SER 66 Ca 0.00 0.61 -0.27 0.00 -0.26 0.00 0.00 58.87 58.95 1s1i n SER 66 Cb 0.00 -1.24 0.05 0.00 -0.26 0.00 0.00 64.21 62.76 1s1i n SER 66 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1s1i s SER 67 N -1.48 5.18 0.32 4.04 0.15 0.24 -3.27 113.70 118.87 1s1i s SER 67 Ca 0.67 0.67 0.03 0.00 0.70 0.00 0.00 55.95 58.02 1s1i s SER 67 Cb -0.35 -1.46 -0.05 0.00 -1.71 0.00 0.00 66.02 62.45 1s1i s SER 67 CO 0.56 -1.38 0.11 -0.89 1.20 0.00 0.00 173.24 172.84 1s1i s THR 68 N -3.19 0.70 0.07 6.45 2.01 -1.26 -3.88 115.64 116.55 1s1i s THR 68 Ca 0.58 -2.00 -0.26 0.00 0.31 0.00 0.00 61.69 60.32 1s1i s THR 68 Cb -0.11 -2.60 -0.16 0.00 0.01 0.00 0.00 72.50 69.64 1s1i s THR 68 CO 0.46 0.00 1.64 0.40 -0.69 0.00 0.00 174.62 176.43 1s1i h ILE 69 N 2.14 0.83 -3.16 1.82 1.08 -2.01 -3.37 117.51 114.84 1s1i h ILE 69 Ca -0.37 -0.12 -0.62 0.00 -0.39 0.00 0.00 64.86 63.36 1s1i h ILE 69 Cb 1.25 0.91 -0.36 0.00 -3.07 0.00 0.00 36.82 35.55 1s1i h ILE 69 CO 0.61 0.03 -0.83 0.42 -0.69 0.00 0.00 178.15 177.68 1s1i s THR 70 N -5.92 1.67 0.00 -0.27 -4.23 -1.26 -4.92 115.64 100.71 1s1i s THR 70 Ca -0.14 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1s1i s THR 70 Cb 0.05 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.30 1s1i s THR 70 CO 0.64 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.75 1s1i n GLY 71 N 4.73 -1.41 3.32 3.99 0.00 -1.26 -4.97 105.19 109.59 1s1i n GLY 71 Ca -0.17 0.49 -0.17 0.00 0.00 0.00 0.00 46.02 46.16 1s1i n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s1i n ASP 72 N 0.00 -6.48 -4.52 1.61 8.00 -1.26 -4.84 116.55 109.06 1s1i n ASP 72 Ca 0.00 -0.73 -0.29 0.00 0.71 0.00 0.00 54.79 54.48 1s1i n ASP 72 Cb 0.00 -4.87 0.16 0.00 -0.02 0.00 0.00 41.12 36.39 1s1i n ASP 72 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1s1i s VAL 73 N -3.38 1.93 -0.05 2.53 -7.23 -1.20 -4.95 120.40 108.04 1s1i s VAL 73 Ca 0.44 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.58 1s1i s VAL 73 Cb -0.08 -2.71 0.04 0.00 0.56 0.00 0.00 36.38 34.19 1s1i s VAL 73 CO 0.76 0.00 0.11 0.54 -0.31 0.00 0.00 175.10 176.20 1s1i s VAL 74 N -3.28 -0.11 -0.04 1.32 0.11 -1.26 -4.13 120.40 113.01 1s1i s VAL 74 Ca 0.66 0.27 -0.21 0.00 -2.93 0.00 0.00 61.98 59.78 1s1i s VAL 74 Cb -0.13 -0.20 -0.14 0.00 -1.53 0.00 0.00 36.38 34.38 1s1i s VAL 74 CO 0.54 0.11 0.89 0.17 -3.33 0.00 0.00 175.10 173.49 1s1i h LEU 75 N 7.70 -0.28 -8.06 2.54 -0.00 -1.69 -3.46 115.31 112.06 1s1i h LEU 75 Ca -0.32 -0.24 -0.28 0.00 -0.00 0.00 0.00 57.88 57.04 1s1i h LEU 75 Cb 1.13 0.07 -0.23 0.00 -0.00 0.00 0.00 40.66 41.62 1s1i h LEU 75 CO 0.33 0.21 -0.74 0.00 -0.00 0.00 0.00 178.44 178.25 1s1i s ALA 76 N -3.97 0.47 0.35 0.17 0.00 -1.26 -4.96 121.76 112.56 1s1i s ALA 76 Ca -0.12 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.32 1s1i s ALA 76 Cb 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.07 1s1i s ALA 76 CO 0.44 0.00 0.05 0.00 0.00 0.00 0.00 175.76 176.25 1s1i s ALA 77 N -0.98 2.59 0.00 0.00 0.00 -1.26 -3.97 121.76 118.14 1s1i s ALA 77 Ca -0.07 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 49.77 1s1i s ALA 77 Cb -0.07 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1s1i s ALA 77 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 175.76 175.50 1s1i n ALA 78 N -0.77 0.56 -2.89 0.00 0.00 -0.67 -4.54 120.51 112.20 1s1i n ALA 78 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 1s1i n ALA 78 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 1s1i n ALA 78 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1s1i n TYR 79 N 0.00 -2.38 -1.66 0.00 0.18 -1.25 -4.70 117.16 107.35 1s1i n TYR 79 Ca 0.00 1.18 -0.55 0.00 1.88 0.00 0.00 57.90 60.41 1s1i n TYR 79 Cb 0.00 -2.69 -0.07 0.00 -0.38 0.00 0.00 39.34 36.20 1s1i n TYR 79 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1s1i n SER 80 N 1.36 2.01 0.00 9.48 7.64 -1.10 -1.76 113.62 131.24 1s1i n SER 80 Ca -0.09 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1s1i n SER 80 Cb 0.28 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1s1i n SER 80 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1s1i n HIS 81 N 4.08 0.00 -0.12 1.43 -0.00 -1.26 -4.17 115.22 115.18 1s1i n HIS 81 Ca 0.23 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.85 1s1i n HIS 81 Cb 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.12 1s1i n HIS 81 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1s1i h GLU 82 N 0.00 0.55 -6.46 1.57 5.08 -1.62 -3.34 114.58 110.35 1s1i h GLU 82 Ca 0.00 -0.13 -0.54 0.00 -1.00 0.00 0.00 59.36 57.70 1s1i h GLU 82 Cb 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1s1i h GLU 82 CO 0.00 0.59 0.51 -0.51 -1.00 0.00 0.00 179.01 178.60 1s1i s LEU 83 N -9.66 4.37 -0.59 1.33 2.01 -1.26 0.72 118.68 115.59 1s1i s LEU 83 Ca -0.13 1.92 -0.28 0.00 0.01 0.00 0.00 54.13 55.65 1s1i s LEU 83 Cb 0.09 -3.58 0.01 0.00 0.01 0.00 0.00 46.19 42.73 1s1i s LEU 83 CO 0.75 -0.41 1.46 -2.16 1.01 0.00 0.00 176.35 177.00 1s1i s PRO 84 N 1.03 3.20 -0.03 1.29 0.04 -1.26 -4.72 135.00 134.55 1s1i s PRO 84 Ca 0.57 0.38 -0.25 0.00 0.04 0.00 0.00 61.00 61.74 1s1i s PRO 84 Cb -0.27 -4.17 -0.21 0.00 0.04 0.00 0.00 34.50 29.89 1s1i s PRO 84 CO 0.29 -2.07 1.16 0.00 0.04 0.00 0.00 177.00 176.41 1s1i h ARG 85 N 11.43 0.10 -4.76 4.56 2.47 -0.03 -3.44 114.38 124.72 1s1i h ARG 85 Ca -0.27 -0.08 -0.35 0.00 -1.26 0.00 0.00 59.98 58.02 1s1i h ARG 85 Cb 1.10 0.01 -0.25 0.00 -1.65 0.00 0.00 29.97 29.18 1s1i h ARG 85 CO 1.20 0.70 -0.76 1.52 0.56 0.00 0.00 179.97 183.19 1s1i s TYR 86 N -3.73 0.81 -0.39 3.04 1.13 -1.26 -5.04 117.35 111.91 1s1i s TYR 86 Ca -0.16 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.17 1s1i s TYR 86 Cb 0.01 -0.49 0.00 0.00 -1.10 0.00 0.00 41.96 40.38 1s1i s TYR 86 CO 0.71 -0.02 0.00 0.41 -2.51 0.00 0.00 175.55 174.14 1s1i n GLY 87 N 2.06 0.39 3.27 5.49 0.00 -1.26 -4.91 105.19 110.22 1s1i n GLY 87 Ca -0.18 -2.10 -0.09 0.00 0.00 0.00 0.00 46.02 43.64 1s1i n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s1i s ILE 88 N -0.29 0.09 -0.23 -0.61 2.07 -1.26 -4.81 121.20 116.16 1s1i s ILE 88 Ca 0.00 -1.47 -0.29 0.00 -1.41 0.00 0.00 60.65 57.48 1s1i s ILE 88 Cb 0.00 -1.77 -0.02 0.00 0.13 0.00 0.00 42.46 40.80 1s1i s ILE 88 CO 0.00 -0.43 1.47 0.42 -1.91 0.00 0.00 174.94 174.50 1s1i s THR 89 N -3.96 3.90 0.25 4.00 -4.23 -1.26 -4.20 115.64 110.15 1s1i s THR 89 Ca 0.16 1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 61.58 1s1i s THR 89 Cb 0.05 -3.88 0.05 0.00 1.34 0.00 0.00 72.50 70.05 1s1i s THR 89 CO -0.02 -0.33 0.60 1.57 -0.54 0.00 0.00 174.62 175.90 1s1i n HIS 90 N 7.90 -1.82 -2.06 3.99 -0.00 -1.26 -5.12 115.22 116.84 1s1i n HIS 90 Ca 0.17 -1.25 -0.34 0.00 0.46 0.00 0.00 57.72 56.76 1s1i n HIS 90 Cb 0.45 0.62 0.02 0.00 -0.12 0.00 0.00 29.99 30.97 1s1i n HIS 90 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1s1i s GLY 91 N -2.59 2.36 0.00 1.57 0.00 -1.26 -4.91 107.32 102.48 1s1i s GLY 91 Ca 0.12 0.63 0.11 0.00 0.00 0.00 0.00 44.72 45.58 1s1i s GLY 91 CO 0.08 0.97 0.95 1.04 0.00 0.00 0.00 173.10 176.13 1s1i n LEU 92 N -1.81 2.17 -3.77 0.66 4.77 -1.26 -4.63 117.00 113.12 1s1i n LEU 92 Ca 0.10 -1.21 -0.39 0.00 -0.03 0.00 0.00 56.01 54.48 1s1i n LEU 92 Cb 0.52 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1s1i n LEU 92 CO 0.45 0.45 0.95 1.07 -1.33 0.00 0.00 177.39 178.98 1s1i n THR 93 N 0.62 4.84 -4.00 -5.08 5.66 -1.26 -3.99 114.28 111.07 1s1i n THR 93 Ca 0.08 -5.81 -0.09 0.00 -3.05 0.00 0.00 64.05 55.18 1s1i n THR 93 Cb 0.32 -1.95 -0.06 0.00 -1.55 0.00 0.00 70.33 67.09 1s1i n THR 93 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1s1i s ASN 94 N -1.94 -0.06 0.00 1.09 -0.87 -1.26 -4.92 114.94 106.98 1s1i s ASN 94 Ca 0.35 -0.95 -0.23 0.00 -1.57 0.00 0.00 52.86 50.46 1s1i s ASN 94 Cb 0.11 0.55 -0.13 0.00 -0.02 0.00 0.00 41.25 41.76 1s1i s ASN 94 CO 0.03 -1.08 1.00 -0.50 -2.57 0.00 0.00 177.10 173.98 1s1i h TRP 95 N 2.32 -0.78 -3.47 2.20 6.55 -1.91 -3.36 115.95 117.50 1s1i h TRP 95 Ca -0.28 -0.02 -0.57 0.00 0.95 0.00 0.00 58.89 58.98 1s1i h TRP 95 Cb 1.25 0.26 0.13 0.00 -0.86 0.00 0.00 29.16 29.93 1s1i h TRP 95 CO 0.39 -0.48 0.42 0.00 -1.05 0.00 0.00 178.44 177.72 1s1i n ALA 96 N -2.67 1.05 -2.99 1.49 0.00 -1.26 0.11 120.51 116.25 1s1i n ALA 96 Ca -0.10 0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 1s1i n ALA 96 Cb 0.33 -2.23 0.06 0.00 0.00 0.00 0.00 19.45 17.61 1s1i n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i n ALA 97 N -0.35 -1.39 0.00 0.00 0.00 -1.26 -4.81 120.51 112.71 1s1i n ALA 97 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1s1i n ALA 97 Cb 0.40 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1s1i n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i n ALA 98 N -3.18 0.00 0.00 0.00 0.00 0.31 -4.38 120.51 113.26 1s1i n ALA 98 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1s1i n ALA 98 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1s1i n ALA 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s1i n TYR 99 N 0.00 0.00 0.01 0.00 4.01 -1.21 -3.15 117.16 116.83 1s1i n TYR 99 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1s1i n TYR 99 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 1s1i n TYR 99 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s1i h ALA 100 N 0.00 -0.07 -2.57 -0.72 0.00 -1.87 -3.39 119.26 110.64 1s1i h ALA 100 Ca 0.00 -0.23 -0.53 0.00 0.00 0.00 0.00 54.91 54.15 1s1i h ALA 100 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1s1i h ALA 100 CO 0.00 -0.30 0.09 0.95 0.00 0.00 0.00 179.25 179.99 1s1i s THR 101 N -4.22 4.58 0.00 0.00 -4.23 -1.26 0.98 115.64 111.49 1s1i s THR 101 Ca -0.15 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 1s1i s THR 101 Cb 0.02 -3.88 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1s1i s THR 101 CO 0.64 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.60 1s1i n GLY 102 N 0.91 0.68 0.00 3.99 0.00 -1.26 -4.36 105.19 105.14 1s1i n GLY 102 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1s1i n GLY 102 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s1i n LEU 103 N -1.17 0.00 0.10 0.99 -0.00 -1.16 -2.94 117.00 112.82 1s1i n LEU 103 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.85 1s1i n LEU 103 Cb 0.47 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.75 1s1i n LEU 103 CO 0.00 0.00 -0.10 -0.07 -0.00 0.00 0.00 177.39 177.22 1s1i h LEU 104 N 0.00 0.43 -0.52 -1.96 3.38 0.36 -3.18 115.31 113.82 1s1i h LEU 104 Ca 0.00 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1s1i h LEU 104 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1s1i h LEU 104 CO 0.00 1.38 0.13 -0.29 0.09 0.00 0.00 178.44 179.75 1s1i h ILE 105 N 0.07 1.24 -4.16 1.22 2.10 -1.80 -3.35 117.51 112.83 1s1i h ILE 105 Ca -0.15 -0.85 -0.53 0.00 1.08 0.00 0.00 64.86 64.41 1s1i h ILE 105 Cb 1.98 0.80 0.14 0.00 -1.09 0.00 0.00 36.82 38.65 1s1i h ILE 105 CO 0.20 0.31 0.41 0.00 -1.08 0.00 0.00 178.15 177.99 1s1i s ALA 106 N -5.32 2.24 -1.16 0.18 0.00 -1.20 0.80 121.76 117.30 1s1i s ALA 106 Ca -0.13 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1s1i s ALA 106 Cb 0.12 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1s1i s ALA 106 CO 0.80 -1.68 0.00 0.54 0.00 0.00 0.00 175.76 175.41 1s1i n ARG 107 N -2.47 -1.05 0.00 0.00 5.12 0.19 -4.53 116.66 113.92 1s1i n ARG 107 Ca 0.13 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 1s1i n ARG 107 Cb 0.50 -4.89 0.00 0.00 -1.16 0.00 0.00 32.46 26.91 1s1i n ARG 107 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1s1i n ARG 108 N -2.30 0.00 -0.04 5.56 5.12 -0.02 -4.85 116.66 120.13 1s1i n ARG 108 Ca -0.16 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.66 1s1i n ARG 108 Cb 0.60 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.86 1s1i n ARG 108 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1s1i h THR 109 N 0.00 1.09 -2.63 0.55 2.02 0.15 -0.84 112.91 113.25 1s1i h THR 109 Ca 0.00 -0.23 -0.58 0.00 0.77 0.00 0.00 66.41 66.37 1s1i h THR 109 Cb 0.00 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1s1i h THR 109 CO 0.00 0.09 1.29 -0.76 0.37 0.00 0.00 175.52 176.50 1s1i s LEU 110 N -10.05 3.50 -0.30 2.58 1.02 -1.11 -3.91 118.68 110.42 1s1i s LEU 110 Ca -0.13 1.35 -0.23 0.00 0.02 0.00 0.00 54.13 55.14 1s1i s LEU 110 Cb 0.08 -3.52 0.03 0.00 0.02 0.00 0.00 46.19 42.80 1s1i s LEU 110 CO 0.69 -1.71 0.41 0.00 0.02 0.00 0.00 176.35 175.76 1s1i n GLN 111 N 8.44 -1.53 0.00 1.70 1.13 -1.24 0.55 117.38 126.42 1s1i n GLN 111 Ca 0.23 1.36 0.00 0.00 -1.94 0.00 0.00 57.00 56.65 1s1i n GLN 111 Cb 0.47 -2.21 0.00 0.00 0.11 0.00 0.00 30.24 28.61 1s1i n GLN 111 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1s1i n ARG 112 N 0.32 0.00 -0.16 -1.09 -4.01 -0.32 -4.23 116.66 107.16 1s1i n ARG 112 Ca -0.04 0.00 -0.05 0.00 -1.04 0.00 0.00 57.85 56.72 1s1i n ARG 112 Cb 0.57 0.00 0.12 0.00 -3.04 0.00 0.00 32.46 30.12 1s1i n ARG 112 CO 0.00 0.00 0.00 1.37 -3.04 0.00 0.00 177.63 175.96 1s1i h LEU 113 N 0.00 0.88 0.00 2.89 -0.00 -1.84 -3.47 115.31 113.77 1s1i h LEU 113 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1s1i h LEU 113 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.43 1s1i h LEU 113 CO 0.00 0.89 0.00 0.61 -0.00 0.00 0.00 178.44 179.94 1s1i n GLY 114 N -0.68 2.76 0.00 0.17 0.00 -1.26 -5.15 105.19 101.03 1s1i n GLY 114 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1s1i n GLY 114 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s1i n LEU 115 N 0.00 0.00 -4.64 0.99 0.00 -1.25 -4.23 117.00 107.87 1s1i n LEU 115 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.72 1s1i n LEU 115 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 43.42 43.60 1s1i n LEU 115 CO 0.00 0.00 0.62 -0.62 0.00 0.00 0.00 177.39 177.39 1s1i s ASP 116 N 1.00 2.46 -0.69 1.96 2.15 -1.26 -4.24 116.67 118.06 1s1i s ASP 116 Ca 0.00 1.47 -0.06 0.00 0.43 0.00 0.00 52.55 54.39 1s1i s ASP 116 Cb 0.00 -2.15 -0.23 0.00 -0.30 0.00 0.00 42.92 40.24 1s1i s ASP 116 CO 0.00 -3.27 1.48 -0.62 -0.17 0.00 0.00 175.17 172.59 1s1i n GLU 117 N -4.30 0.00 -3.73 4.34 1.02 -1.17 -4.85 120.64 111.95 1s1i n GLU 117 Ca 0.06 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.96 1s1i n GLU 117 Cb 0.55 -0.69 -0.17 0.00 -0.02 0.00 0.00 31.44 31.11 1s1i n GLU 117 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1s1i s THR 118 N 0.12 0.29 0.12 2.62 -4.23 -1.23 -4.95 115.64 108.37 1s1i s THR 118 Ca 0.91 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 61.38 1s1i s THR 118 Cb -0.59 -0.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.66 1s1i s THR 118 CO 0.39 0.11 0.15 -0.72 -0.54 0.00 0.00 174.62 174.01 1s1i s TYR 119 N 2.00 0.54 0.46 3.99 -0.85 -1.26 -4.77 117.35 117.45 1s1i s TYR 119 Ca 0.04 -0.94 -0.23 0.00 -0.52 0.00 0.00 57.07 55.41 1s1i s TYR 119 Cb -0.13 -0.25 -0.07 0.00 0.38 0.00 0.00 41.96 41.88 1s1i s TYR 119 CO -0.06 -0.57 1.21 0.21 -1.52 0.00 0.00 175.55 174.82 1s1i s LYS 120 N -3.97 3.73 0.02 -3.49 2.36 -1.26 -4.76 119.74 112.36 1s1i s LYS 120 Ca 0.16 1.90 0.00 0.00 -2.55 0.00 0.00 55.97 55.48 1s1i s LYS 120 Cb 0.06 -2.46 0.00 0.00 -1.05 0.00 0.00 37.83 34.37 1s1i s LYS 120 CO -0.02 -0.61 0.00 0.41 1.55 0.00 0.00 175.35 176.68 1s1i n GLY 121 N 0.54 -3.71 3.77 5.54 0.00 -1.26 -4.93 105.19 105.14 1s1i n GLY 121 Ca 0.07 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 1s1i n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s1i s VAL 122 N -0.78 2.70 0.91 1.61 1.01 -1.26 -4.98 120.40 119.60 1s1i s VAL 122 Ca 0.00 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 1s1i s VAL 122 Cb 0.00 -3.36 0.14 0.00 0.00 0.00 0.00 36.38 33.16 1s1i s VAL 122 CO 0.00 0.08 1.13 -0.70 0.00 0.00 0.00 175.10 175.62 1s1i s GLU 123 N -2.26 1.18 0.79 2.72 2.12 -1.26 -4.96 118.70 117.03 1s1i s GLU 123 Ca 0.57 0.32 -0.15 0.00 0.36 0.00 0.00 54.97 56.07 1s1i s GLU 123 Cb -0.37 -1.84 0.02 0.00 0.26 0.00 0.00 34.13 32.20 1s1i s GLU 123 CO 0.47 -2.18 0.81 0.39 -0.54 0.00 0.00 175.26 174.22 1s1i n GLU 124 N -3.76 0.19 -1.67 4.30 1.02 -1.26 -4.75 120.64 114.72 1s1i n GLU 124 Ca 0.06 0.12 -0.46 0.00 -0.02 0.00 0.00 57.16 56.87 1s1i n GLU 124 Cb 0.59 -2.11 -0.04 0.00 -0.02 0.00 0.00 31.44 29.86 1s1i n GLU 124 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1s1i n VAL 125 N -2.93 0.18 0.00 2.62 3.14 -1.26 -4.77 118.33 115.31 1s1i n VAL 125 Ca 0.11 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 1s1i n VAL 125 Cb 0.51 -1.54 0.00 0.00 -1.06 0.00 0.00 33.84 31.74 1s1i n VAL 125 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1s1i n GLU 126 N 3.17 0.00 -1.94 1.45 -0.58 -1.26 -5.01 120.64 116.47 1s1i n GLU 126 Ca 0.16 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.47 1s1i n GLU 126 Cb 0.29 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.14 1s1i n GLU 126 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1s1i s GLY 127 N 0.00 1.11 -0.16 0.62 0.00 -1.26 -4.91 107.32 102.72 1s1i s GLY 127 Ca 0.00 0.67 -0.07 0.00 0.00 0.00 0.00 44.72 45.31 1s1i s GLY 127 CO 0.00 3.24 0.37 -0.54 0.00 0.00 0.00 173.10 176.17 1s1i s GLU 128 N 4.99 0.31 -0.02 2.90 0.41 -1.26 -5.07 118.70 120.95 1s1i s GLU 128 Ca 0.80 0.81 0.02 0.00 -0.41 0.00 0.00 54.97 56.19 1s1i s GLU 128 Cb -0.29 0.05 0.00 0.00 -1.78 0.00 0.00 34.13 32.11 1s1i s GLU 128 CO 0.33 -0.20 -0.08 -0.47 -0.49 0.00 0.00 175.26 174.35 1s1i s TYR 129 N 1.84 0.78 -0.08 1.61 5.04 -1.26 -4.75 117.35 120.52 1s1i s TYR 129 Ca -0.06 -0.17 0.05 0.00 -2.44 0.00 0.00 57.07 54.45 1s1i s TYR 129 Cb -0.10 -0.55 -0.00 0.00 0.35 0.00 0.00 41.96 41.66 1s1i s TYR 129 CO -0.12 -0.06 -0.24 -1.21 -1.34 0.00 0.00 175.55 172.58 1s1i s GLU 130 N 0.08 2.77 0.32 4.97 2.02 -1.26 -4.21 118.70 123.38 1s1i s GLU 130 Ca -0.01 -0.87 0.04 0.00 0.02 0.00 0.00 54.97 54.15 1s1i s GLU 130 Cb -0.06 -2.20 -0.06 0.00 0.10 0.00 0.00 34.13 31.91 1s1i s GLU 130 CO -0.00 0.26 0.05 -1.17 0.02 0.00 0.00 175.26 174.43 1s1i s LEU 131 N 0.13 2.15 1.02 1.80 2.96 -1.26 -5.02 118.68 120.46 1s1i s LEU 131 Ca -0.12 -1.37 -0.12 0.00 -0.22 0.00 0.00 54.13 52.30 1s1i s LEU 131 Cb -0.16 -0.36 0.20 0.00 0.50 0.00 0.00 46.19 46.37 1s1i s LEU 131 CO 0.06 -0.60 1.08 0.42 -1.32 0.00 0.00 176.35 175.99 1s1i s THR 132 N -3.32 2.13 0.03 3.68 -4.23 -1.26 -4.51 115.64 108.16 1s1i s THR 132 Ca 0.36 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1s1i s THR 132 Cb 0.08 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1s1i s THR 132 CO 0.15 -0.05 0.00 1.21 -0.54 0.00 0.00 174.62 175.39 1s1i n GLU 133 N -4.28 -0.27 -1.72 3.99 0.00 -1.26 -4.71 120.64 112.39 1s1i n GLU 133 Ca 0.05 0.18 -0.42 0.00 0.00 0.00 0.00 57.16 56.97 1s1i n GLU 133 Cb 0.56 -0.33 -0.01 0.00 0.00 0.00 0.00 31.44 31.66 1s1i n GLU 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s1i n ALA 134 N -0.50 1.55 -1.77 4.31 0.00 -1.26 -4.88 120.51 117.96 1s1i n ALA 134 Ca 0.00 0.36 -0.38 0.00 0.00 0.00 0.00 53.44 53.42 1s1i n ALA 134 Cb 0.06 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.18 1s1i n ALA 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s1i s VAL 135 N -1.08 3.59 0.62 0.00 1.01 -1.26 -4.81 120.40 118.47 1s1i s VAL 135 Ca 0.55 1.38 -0.11 0.00 0.00 0.00 0.00 61.98 63.80 1s1i s VAL 135 Cb -0.55 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1s1i s VAL 135 CO 0.62 0.17 1.03 -0.70 0.00 0.00 0.00 175.10 176.22 1s1i s GLU 136 N -2.03 3.59 -1.49 2.72 -6.30 -1.26 -3.72 118.70 110.21 1s1i s GLU 136 Ca 0.52 0.76 0.00 0.00 -2.50 0.00 0.00 54.97 53.75 1s1i s GLU 136 Cb -0.27 -2.08 0.00 0.00 0.00 0.00 0.00 34.13 31.78 1s1i s GLU 136 CO 0.34 -0.58 0.00 -0.40 0.02 0.00 0.00 175.26 174.64 1s1i n ASP 137 N -2.75 -5.04 0.00 -1.70 5.68 -1.26 -4.62 116.55 106.86 1s1i n ASP 137 Ca 0.06 0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1s1i n ASP 137 Cb 0.54 -4.24 0.00 0.00 -1.14 0.00 0.00 41.12 36.28 1s1i n ASP 137 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s1i n GLY 138 N -0.90 0.82 0.00 6.12 0.00 -1.24 -4.76 105.19 105.23 1s1i n GLY 138 Ca -0.20 -1.38 0.14 0.00 0.00 0.00 0.00 46.02 44.58 1s1i n GLY 138 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s1i n PRO 139 N 1.89 0.60 -0.19 1.61 -0.04 -1.26 -4.07 135.00 133.54 1s1i n PRO 139 Ca 0.00 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1s1i n PRO 139 Cb 0.00 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.28 1s1i n PRO 139 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s1i h ARG 140 N 0.00 0.81 0.00 0.54 -0.00 -1.95 -2.79 114.38 111.00 1s1i h ARG 140 Ca 0.00 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1s1i h ARG 140 Cb 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 29.97 29.94 1s1i h ARG 140 CO 0.00 0.54 -0.01 -1.35 0.00 0.00 0.00 179.97 179.14 1s1i h PRO 141 N 0.84 0.00 -6.84 0.04 0.11 -1.90 -3.43 132.00 120.82 1s1i h PRO 141 Ca 0.30 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.88 1s1i h PRO 141 Cb 0.13 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.31 1s1i h PRO 141 CO -0.09 0.01 0.70 -0.06 -0.21 0.00 0.00 178.00 178.35 1s1i s PHE 142 N -4.34 2.98 -0.06 0.65 0.40 -1.05 -4.74 117.98 111.82 1s1i s PHE 142 Ca -0.04 1.24 -0.30 0.00 -0.60 0.00 0.00 56.93 57.22 1s1i s PHE 142 Cb 0.14 -3.77 0.11 0.00 0.51 0.00 0.00 43.02 40.01 1s1i s PHE 142 CO 0.50 -2.29 0.97 0.15 0.70 0.00 0.00 175.22 175.24 1s1i s LYS 143 N -1.28 0.69 -0.07 0.44 1.02 -1.18 -2.44 119.74 116.92 1s1i s LYS 143 Ca 0.53 -0.22 -0.29 0.00 0.02 0.00 0.00 55.97 56.01 1s1i s LYS 143 Cb -0.41 0.32 0.10 0.00 -0.52 0.00 0.00 37.83 37.32 1s1i s LYS 143 CO 0.50 -0.29 0.88 0.08 -0.92 0.00 0.00 175.35 175.60 1s1i s VAL 144 N -2.77 0.00 -0.07 3.17 1.01 -1.21 -4.49 120.40 116.04 1s1i s VAL 144 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1s1i s VAL 144 Cb -0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1s1i s VAL 144 CO -0.07 0.00 0.01 -0.36 0.00 0.00 0.00 175.10 174.68 1s1i s PHE 145 N -1.86 3.17 -0.20 5.22 0.40 -1.26 -4.16 117.98 119.30 1s1i s PHE 145 Ca -0.02 0.19 -0.04 0.00 -0.60 0.00 0.00 56.93 56.47 1s1i s PHE 145 Cb -0.01 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 1s1i s PHE 145 CO -0.01 0.48 -0.03 -0.48 0.70 0.00 0.00 175.22 175.89 1s1i s LEU 146 N -1.02 3.08 -0.18 -0.37 2.34 -1.26 0.82 118.68 122.09 1s1i s LEU 146 Ca 0.15 -0.28 -0.03 0.00 0.06 0.00 0.00 54.13 54.03 1s1i s LEU 146 Cb -0.11 -1.77 -0.02 0.00 -0.56 0.00 0.00 46.19 43.73 1s1i s LEU 146 CO 0.04 0.05 -0.05 1.51 -1.06 0.00 0.00 176.35 176.84 1s1i s ASP 147 N 1.07 4.45 0.54 1.48 -4.77 -1.26 -4.85 116.67 113.33 1s1i s ASP 147 Ca 0.01 -0.28 -0.20 0.00 -3.30 0.00 0.00 52.55 48.78 1s1i s ASP 147 Cb -0.15 -1.74 -0.06 0.00 -1.09 0.00 0.00 42.92 39.89 1s1i s ASP 147 CO 0.01 0.08 1.17 0.27 0.70 0.00 0.00 175.17 177.40 1s1i s ILE 148 N 0.87 2.96 0.00 2.11 -0.00 -1.26 -2.95 121.20 122.93 1s1i s ILE 148 Ca -0.01 0.63 0.00 0.00 -0.00 0.00 0.00 60.65 61.26 1s1i s ILE 148 Cb -0.15 -3.27 0.00 0.00 -0.00 0.00 0.00 42.46 39.04 1s1i s ILE 148 CO 0.01 -0.10 0.00 0.61 -0.00 0.00 0.00 174.94 175.46 1s1i n GLY 149 N 0.34 0.94 3.73 6.27 0.00 -1.22 -4.79 105.19 110.46 1s1i n GLY 149 Ca 0.11 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1s1i n GLY 149 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s1i s LEU 150 N 0.00 4.37 -0.09 0.99 1.98 -1.26 -4.84 118.68 119.83 1s1i s LEU 150 Ca 0.00 2.62 -0.31 0.00 -2.89 0.00 0.00 54.13 53.55 1s1i s LEU 150 Cb 0.00 -3.60 0.10 0.00 0.66 0.00 0.00 46.19 43.35 1s1i s LEU 150 CO 0.00 -0.78 1.37 -1.58 -1.89 0.00 0.00 176.35 173.47 1s1i s GLN 151 N 0.69 0.04 -0.06 1.98 0.74 -1.26 -5.01 119.66 116.77 1s1i s GLN 151 Ca 0.67 -0.02 0.05 0.00 0.05 0.00 0.00 55.36 56.10 1s1i s GLN 151 Cb -0.43 0.01 -0.00 0.00 1.10 0.00 0.00 33.01 33.69 1s1i s GLN 151 CO 0.35 -0.02 -0.22 -0.98 -0.55 0.00 0.00 175.29 173.87 1s1i s ARG 152 N -2.00 2.42 0.24 1.67 1.70 -1.26 -5.09 118.95 116.63 1s1i s ARG 152 Ca 0.31 -0.79 -0.30 0.00 -0.47 0.00 0.00 55.73 54.49 1s1i s ARG 152 Cb 0.00 -1.99 -0.09 0.00 -0.57 0.00 0.00 34.95 32.31 1s1i s ARG 152 CO -0.03 0.27 1.12 0.95 -1.08 0.00 0.00 175.30 176.54 1s1i s THR 153 N 0.07 3.57 0.00 4.99 -4.23 -1.26 -4.99 115.64 113.78 1s1i s THR 153 Ca -0.08 1.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.90 1s1i s THR 153 Cb -0.14 -3.94 0.00 0.00 1.34 0.00 0.00 72.50 69.76 1s1i s THR 153 CO 0.05 0.31 0.00 0.41 -0.54 0.00 0.00 174.62 174.84 1s1i n THR 154 N 1.69 0.00 0.00 3.99 -1.04 -1.26 -5.14 114.28 112.52 1s1i n THR 154 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1s1i n THR 154 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 1s1i n THR 154 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1s1i n THR 155 N 0.00 0.00 -1.56 12.58 -2.24 -1.26 -4.76 114.28 117.04 1s1i n THR 155 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1s1i n THR 155 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1s1i n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s1i n GLY 156 N 5.00 0.64 3.23 3.38 0.00 -1.20 -4.50 105.19 111.74 1s1i n GLY 156 Ca 0.00 0.78 -0.13 0.00 0.00 0.00 0.00 46.02 46.67 1s1i n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i s ALA 157 N 9.40 1.32 0.41 4.61 0.00 -1.26 -4.77 121.76 131.47 1s1i s ALA 157 Ca 1.03 -1.46 0.15 0.00 0.00 0.00 0.00 51.96 51.67 1s1i s ALA 157 Cb -0.40 0.12 0.92 0.00 0.00 0.00 0.00 23.12 23.76 1s1i s ALA 157 CO 0.35 -0.15 1.93 0.00 0.00 0.00 0.00 175.76 177.88 1s1i h ARG 158 N 2.82 0.00 -0.54 0.00 3.08 -1.91 -0.18 114.38 117.65 1s1i h ARG 158 Ca -0.36 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.72 1s1i h ARG 158 Cb 1.18 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.19 1s1i h ARG 158 CO 0.64 0.26 0.30 0.28 -1.07 0.00 0.00 179.97 180.38 1s1i h VAL 159 N 0.00 1.01 -0.37 2.04 2.07 -1.94 0.75 116.25 119.80 1s1i h VAL 159 Ca -0.00 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 1s1i h VAL 159 Cb 0.47 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1s1i h VAL 159 CO 0.03 0.11 -0.39 -0.26 0.02 0.00 0.00 177.57 177.08 1s1i h PHE 160 N 0.59 1.08 -0.65 1.57 0.04 -1.61 -2.75 116.94 115.21 1s1i h PHE 160 Ca 0.23 -0.33 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 1s1i h PHE 160 Cb 0.08 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.98 1s1i h PHE 160 CO -0.08 1.14 0.32 0.78 -0.60 0.00 0.00 178.31 179.88 1s1i h GLY 161 N 0.81 0.97 1.28 -1.45 0.00 0.56 0.28 103.07 105.52 1s1i h GLY 161 Ca 0.06 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 46.97 1s1i h GLY 161 CO 0.09 0.43 0.43 0.00 0.00 0.00 0.00 176.54 177.49 1s1i h ALA 162 N 1.45 1.62 -0.45 3.60 0.00 0.74 0.23 119.26 126.44 1s1i h ALA 162 Ca 0.23 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1s1i h ALA 162 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1s1i h ALA 162 CO -0.03 0.32 -0.13 1.25 0.00 0.00 0.00 179.25 180.66 1s1i h LEU 163 N 0.80 0.83 0.60 0.00 6.46 -0.37 -3.34 115.31 120.28 1s1i h LEU 163 Ca 0.25 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1s1i h LEU 163 Cb 0.03 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 39.74 1s1i h LEU 163 CO -0.07 0.97 -0.29 0.50 -0.62 0.00 0.00 178.44 178.94 1s1i h LYS 164 N 0.74 -0.77 -7.36 1.25 3.11 0.70 -3.14 116.57 111.10 1s1i h LYS 164 Ca 0.12 0.05 -0.50 0.00 -2.81 0.00 0.00 60.65 57.51 1s1i h LYS 164 Cb 0.64 0.18 0.11 0.00 -1.00 0.00 0.00 32.23 32.15 1s1i h LYS 164 CO 0.04 -0.49 0.35 0.20 -2.81 0.00 0.00 179.45 176.74 1s1i s GLY 165 N -2.18 1.65 -1.13 5.01 0.00 -1.17 -2.33 107.32 107.17 1s1i s GLY 165 Ca -0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.55 1s1i s GLY 165 CO 0.60 0.36 0.95 0.00 0.00 0.00 0.00 173.10 175.01 1s1i n ALA 166 N -3.32 -1.98 -0.58 3.20 0.00 -1.15 -4.12 120.51 112.57 1s1i n ALA 166 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1s1i n ALA 166 Cb 0.54 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1s1i n ALA 166 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1s1i n SER 167 N -3.05 0.00 -4.06 0.00 7.64 -1.16 -4.57 113.62 108.43 1s1i n SER 167 Ca -0.26 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.20 1s1i n SER 167 Cb 0.66 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 1s1i n SER 167 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1s1i n ASP 168 N -1.18 4.67 0.00 6.43 2.03 -0.98 -1.50 116.55 126.02 1s1i n ASP 168 Ca 0.00 -2.96 0.00 0.00 0.52 0.00 0.00 54.79 52.35 1s1i n ASP 168 Cb 0.00 -1.61 0.00 0.00 -0.72 0.00 0.00 41.12 38.79 1s1i n ASP 168 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s1i n GLY 169 N 3.98 0.81 0.00 0.27 0.00 -1.26 -4.87 105.19 104.11 1s1i n GLY 169 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1s1i n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1i n GLY 170 N 0.00 2.63 3.77 -0.02 0.00 -0.56 -3.73 105.19 107.28 1s1i n GLY 170 Ca 0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1s1i n GLY 170 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s1i s LEU 171 N 0.00 4.18 -0.25 0.99 2.96 -1.23 -4.83 118.68 120.50 1s1i s LEU 171 Ca 0.00 2.52 -0.02 0.00 -0.22 0.00 0.00 54.13 56.41 1s1i s LEU 171 Cb 0.00 -3.98 0.02 0.00 0.50 0.00 0.00 46.19 42.73 1s1i s LEU 171 CO 0.00 -0.82 -0.05 -0.47 -1.32 0.00 0.00 176.35 173.69 1s1i s TYR 172 N -1.33 3.06 0.15 5.38 6.14 -1.02 -3.97 117.35 125.75 1s1i s TYR 172 Ca 0.58 -1.45 0.10 0.00 0.64 0.00 0.00 57.07 56.94 1s1i s TYR 172 Cb -0.35 -2.08 -0.04 0.00 0.42 0.00 0.00 41.96 39.91 1s1i s TYR 172 CO 0.44 -0.70 -0.22 0.14 0.64 0.00 0.00 175.55 175.85 1s1i s VAL 173 N 1.35 2.53 0.70 3.14 -7.23 -1.26 -3.08 120.40 116.56 1s1i s VAL 173 Ca 0.01 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 1s1i s VAL 173 Cb -0.16 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.62 1s1i s VAL 173 CO -0.04 0.02 1.06 -2.84 -0.31 0.00 0.00 175.10 172.99 1s1i s PRO 174 N -2.33 2.87 0.00 4.82 0.02 -1.26 -5.00 135.00 134.12 1s1i s PRO 174 Ca 0.18 0.82 0.00 0.00 0.02 0.00 0.00 61.00 62.02 1s1i s PRO 174 Cb -0.09 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1s1i s PRO 174 CO 0.09 -1.11 0.00 -2.39 -0.33 0.00 0.00 177.00 173.26 1s1i n HIS 175 N -3.12 0.00 -5.07 6.54 1.44 -1.26 -4.79 115.22 108.96 1s1i n HIS 175 Ca 0.07 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.46 1s1i n HIS 175 Cb 0.54 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.49 1s1i n HIS 175 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1s1i s SER 176 N 0.00 3.08 0.85 4.39 1.04 -1.26 -5.10 113.70 116.70 1s1i s SER 176 Ca 0.00 -0.57 -0.12 0.00 0.48 0.00 0.00 55.95 55.75 1s1i s SER 176 Cb 0.00 -1.41 0.10 0.00 0.10 0.00 0.00 66.02 64.80 1s1i s SER 176 CO 0.00 0.14 1.10 -0.70 0.98 0.00 0.00 173.24 174.76 1s1i s GLU 177 N 0.47 1.68 0.00 4.02 2.12 -1.26 -2.62 118.70 123.10 1s1i s GLU 177 Ca -0.16 0.67 0.00 0.00 0.36 0.00 0.00 54.97 55.84 1s1i s GLU 177 Cb -0.17 -1.87 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1s1i s GLU 177 CO 0.06 -1.91 0.00 -1.71 -0.54 0.00 0.00 175.26 171.16 1s1i n ASN 178 N -3.63 0.00 -2.22 -1.70 2.85 -1.26 -4.74 115.26 104.55 1s1i n ASN 178 Ca 0.07 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.30 1s1i n ASN 178 Cb 0.56 -0.64 0.01 0.00 1.24 0.00 0.00 39.78 40.95 1s1i n ASN 178 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1s1i n ARG 179 N -2.00 3.42 -4.33 1.20 3.00 -1.08 -4.96 116.66 111.92 1s1i n ARG 179 Ca 0.00 -4.23 -0.19 0.00 -0.01 0.00 0.00 57.85 53.41 1s1i n ARG 179 Cb 0.00 -2.22 -0.09 0.00 0.00 0.00 0.00 32.46 30.16 1s1i n ARG 179 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1s1i s PHE 180 N -3.58 1.64 -2.00 -1.55 0.40 -1.26 -4.55 117.98 107.08 1s1i s PHE 180 Ca 0.48 -1.47 0.23 0.00 -0.60 0.00 0.00 56.93 55.57 1s1i s PHE 180 Cb 0.40 -0.82 1.36 0.00 0.51 0.00 0.00 43.02 44.47 1s1i s PHE 180 CO -0.04 -0.64 1.73 -0.35 0.70 0.00 0.00 175.22 176.62 1s1i n PRO 181 N -0.62 0.71 0.00 0.24 -0.04 -1.26 -3.21 135.00 130.82 1s1i n PRO 181 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1s1i n PRO 181 Cb 0.64 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1s1i n PRO 181 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s1i n GLY 182 N 0.43 1.59 0.00 0.55 0.00 -1.26 -4.49 105.19 102.01 1s1i n GLY 182 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1s1i n GLY 182 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s1i n TRP 183 N 0.00 0.00 0.00 1.61 8.01 -1.25 -4.88 117.44 120.93 1s1i n TRP 183 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1s1i n TRP 183 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1s1i n TRP 183 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1s1i n ASP 184 N 0.00 0.00 -0.16 -0.99 -0.08 -1.26 0.84 116.55 114.90 1s1i n ASP 184 Ca 0.00 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.24 1s1i n ASP 184 Cb 0.00 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.52 1s1i n ASP 184 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1s1i h PHE 185 N 0.00 0.39 -2.77 -0.67 0.04 -1.78 -2.95 116.94 109.21 1s1i h PHE 185 Ca 0.00 0.02 -0.61 0.00 2.80 0.00 0.00 57.97 60.19 1s1i h PHE 185 Cb 0.00 -0.10 -0.40 0.00 2.20 0.00 0.00 35.95 37.65 1s1i h PHE 185 CO 0.00 0.17 -0.78 -1.83 -0.60 0.00 0.00 178.31 175.27 1s1i s GLU 186 N -6.13 1.52 0.72 1.51 4.04 0.25 -2.34 118.70 118.26 1s1i s GLU 186 Ca -0.13 -2.48 -0.09 0.00 0.04 0.00 0.00 54.97 52.31 1s1i s GLU 186 Cb 0.14 -2.32 0.05 0.00 0.02 0.00 0.00 34.13 32.03 1s1i s GLU 186 CO 0.73 -1.29 1.06 0.95 -1.84 0.00 0.00 175.26 174.86 1s1i s THR 187 N -0.36 2.57 0.18 1.83 -4.23 -1.24 -3.79 115.64 110.61 1s1i s THR 187 Ca 0.26 -0.05 -0.09 0.00 -1.18 0.00 0.00 61.69 60.63 1s1i s THR 187 Cb -0.07 -3.13 -0.07 0.00 1.34 0.00 0.00 72.50 70.57 1s1i s THR 187 CO -0.13 -0.16 0.49 -1.61 -0.54 0.00 0.00 174.62 172.67 1s1i s GLU 188 N -5.32 3.78 0.07 3.99 2.02 -1.26 -2.62 118.70 119.36 1s1i s GLU 188 Ca 0.59 0.21 -0.20 0.00 0.02 0.00 0.00 54.97 55.59 1s1i s GLU 188 Cb -0.11 -2.77 -0.10 0.00 0.10 0.00 0.00 34.13 31.25 1s1i s GLU 188 CO 0.47 0.40 1.53 0.93 0.02 0.00 0.00 175.26 178.61 1s1i h GLU 189 N 2.87 0.32 -4.92 1.61 5.08 -1.91 -3.42 114.58 114.21 1s1i h GLU 189 Ca -0.47 -0.09 -0.58 0.00 -1.00 0.00 0.00 59.36 57.21 1s1i h GLU 189 Cb 1.17 -0.03 -0.33 0.00 0.50 0.00 0.00 28.75 30.06 1s1i h GLU 189 CO 0.69 0.49 -0.84 -1.50 -1.00 0.00 0.00 179.01 176.85 1s1i s ILE 190 N -5.12 1.53 0.28 3.13 2.07 -1.26 -5.02 121.20 116.81 1s1i s ILE 190 Ca -0.14 -0.71 0.06 0.00 -1.41 0.00 0.00 60.65 58.44 1s1i s ILE 190 Cb 0.07 -1.35 0.03 0.00 0.13 0.00 0.00 42.46 41.33 1s1i s ILE 190 CO 0.72 0.44 1.68 -2.24 -1.91 0.00 0.00 174.94 173.63 1s1i h ASP 191 N 6.81 0.27 0.08 4.50 2.03 -1.99 -3.11 116.42 125.01 1s1i h ASP 191 Ca -0.26 -0.12 -0.04 0.00 -0.73 0.00 0.00 57.03 55.87 1s1i h ASP 191 Cb 1.21 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 1s1i h ASP 191 CO 0.47 0.67 -0.15 -0.65 -1.03 0.00 0.00 179.24 178.56 1s1i h PRO 192 N 0.22 0.15 -4.98 4.15 0.11 -1.99 -3.38 132.00 126.27 1s1i h PRO 192 Ca 0.02 -0.03 -0.66 0.00 0.11 0.00 0.00 66.00 65.44 1s1i h PRO 192 Cb 0.85 -0.02 -0.26 0.00 0.11 0.00 0.00 31.00 31.67 1s1i h PRO 192 CO 0.07 0.30 -0.69 -1.21 -0.21 0.00 0.00 178.00 176.25 1s1i s GLU 193 N -4.70 3.44 0.15 1.05 0.41 -1.18 -4.95 118.70 112.93 1s1i s GLU 193 Ca -0.05 -0.59 -0.12 0.00 -0.41 0.00 0.00 54.97 53.80 1s1i s GLU 193 Cb 0.16 -3.10 0.01 0.00 -1.78 0.00 0.00 34.13 29.42 1s1i s GLU 193 CO 0.72 -0.20 1.60 -0.07 -0.49 0.00 0.00 175.26 176.82 1s1i h LEU 194 N 8.15 0.84 -9.38 1.80 3.38 -1.79 -3.42 115.31 114.89 1s1i h LEU 194 Ca -0.40 -0.31 -0.54 0.00 0.09 0.00 0.00 57.88 56.72 1s1i h LEU 194 Cb 1.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1s1i h LEU 194 CO 0.60 0.94 0.92 -0.76 0.09 0.00 0.00 178.44 180.23 1s1i s LEU 195 N -9.39 4.33 0.00 1.67 1.43 -1.26 -4.89 118.68 110.57 1s1i s LEU 195 Ca -0.12 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 1s1i s LEU 195 Cb 0.11 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1s1i s LEU 195 CO 0.82 -0.80 0.00 0.54 0.23 0.00 0.00 176.35 177.14 1s1i n ARG 196 N 5.68 0.00 -3.18 1.70 5.12 -1.26 -4.99 116.66 119.73 1s1i n ARG 196 Ca 0.14 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.67 1s1i n ARG 196 Cb 0.43 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.67 1s1i n ARG 196 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1s1i s SER 197 N 0.00 6.72 -0.02 0.55 0.15 -1.26 -4.97 113.70 114.88 1s1i s SER 197 Ca 0.00 0.87 0.01 0.00 0.70 0.00 0.00 55.95 57.53 1s1i s SER 197 Cb 0.00 -2.33 0.01 0.00 -1.71 0.00 0.00 66.02 61.99 1s1i s SER 197 CO 0.00 -0.15 -0.02 -0.72 1.20 0.00 0.00 173.24 173.55 1s1i s TYR 198 N 1.27 0.33 -0.00 3.44 -0.85 -1.26 -4.64 117.35 115.63 1s1i s TYR 198 Ca 0.29 -0.04 0.01 0.00 -0.52 0.00 0.00 57.07 56.81 1s1i s TYR 198 Cb -0.16 -0.31 -0.00 0.00 0.38 0.00 0.00 41.96 41.87 1s1i s TYR 198 CO 0.12 -0.07 -0.04 -1.50 -1.52 0.00 0.00 175.55 172.54 1s1i s ILE 199 N 0.45 0.33 0.12 -3.49 2.07 -1.08 -4.78 121.20 114.82 1s1i s ILE 199 Ca -0.04 -0.18 -0.02 0.00 -1.41 0.00 0.00 60.65 59.00 1s1i s ILE 199 Cb -0.07 -0.28 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 1s1i s ILE 199 CO -0.01 0.09 0.08 0.12 -1.91 0.00 0.00 174.94 173.31 1s1i s PHE 200 N -0.10 0.74 -0.07 3.50 2.19 -1.25 -4.42 117.98 118.57 1s1i s PHE 200 Ca 0.02 -1.13 0.25 0.00 0.33 0.00 0.00 56.93 56.39 1s1i s PHE 200 Cb -0.02 -0.40 0.45 0.00 -1.31 0.00 0.00 43.02 41.74 1s1i s PHE 200 CO -0.00 -0.53 1.16 0.41 1.83 0.00 0.00 175.22 178.08 1s1i n GLY 201 N -0.08 1.27 3.66 13.12 0.00 -0.99 -3.99 105.19 118.17 1s1i n GLY 201 Ca -0.07 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1s1i n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s1i s GLY 202 N -2.47 1.58 0.00 -0.02 0.00 -1.11 -2.92 107.32 102.38 1s1i s GLY 202 Ca 0.32 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1s1i s GLY 202 CO -0.14 2.70 0.00 1.42 0.00 0.00 0.00 173.10 177.08 1s1i n HIS 203 N 6.89 0.00 -0.03 1.90 8.25 -1.26 -3.63 115.22 127.34 1s1i n HIS 203 Ca 0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.50 1s1i n HIS 203 Cb 0.44 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.50 1s1i n HIS 203 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1s1i h VAL 204 N 0.00 1.12 -4.19 1.59 3.04 -1.98 -3.36 116.25 112.48 1s1i h VAL 204 Ca 0.00 -0.36 -0.53 0.00 -1.01 0.00 0.00 66.70 64.80 1s1i h VAL 204 Cb 0.00 1.12 0.15 0.00 -2.01 0.00 0.00 31.29 30.55 1s1i h VAL 204 CO 0.00 0.11 0.38 -0.55 -1.01 0.00 0.00 177.57 176.50 1s1i s SER 205 N -5.47 4.24 -0.48 3.17 0.15 -1.15 0.77 113.70 114.93 1s1i s SER 205 Ca -0.14 2.29 0.00 0.00 0.70 0.00 0.00 55.95 58.81 1s1i s SER 205 Cb 0.07 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1s1i s SER 205 CO 0.69 -2.23 0.00 0.00 1.20 0.00 0.00 173.24 172.90 1s1i n GLN 206 N -2.78 -1.20 -0.04 5.44 3.00 -1.22 -4.79 117.38 115.79 1s1i n GLN 206 Ca 0.13 0.55 -0.14 0.00 -0.01 0.00 0.00 57.00 57.52 1s1i n GLN 206 Cb 0.51 -4.57 -0.08 0.00 0.00 0.00 0.00 30.24 26.10 1s1i n GLN 206 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.06 177.16 1s1i h TYR 207 N 0.00 0.51 -1.82 1.08 -0.00 0.20 -3.42 116.97 113.52 1s1i h TYR 207 Ca -0.09 -0.19 -0.49 0.00 0.00 0.00 0.00 58.73 57.96 1s1i h TYR 207 Cb 0.74 -0.09 -0.03 0.00 0.00 0.00 0.00 36.73 37.35 1s1i h TYR 207 CO 0.41 0.89 -0.43 0.00 -0.00 0.00 0.00 178.16 179.03 1s1i s MET 208 N -3.95 2.77 -0.01 0.10 0.23 -1.26 -5.05 119.30 112.14 1s1i s MET 208 Ca -0.14 -1.26 -0.02 0.00 -1.03 0.00 0.00 55.69 53.23 1s1i s MET 208 Cb 0.05 -2.52 -0.01 0.00 -1.53 0.00 0.00 34.83 30.81 1s1i s MET 208 CO 0.78 0.08 0.39 1.49 -2.03 0.00 0.00 175.02 175.72 1s1i h GLU 209 N 1.19 -0.08 -0.63 3.16 4.57 -1.96 -3.42 114.58 117.41 1s1i h GLU 209 Ca -0.45 0.01 -0.31 0.00 -1.18 0.00 0.00 59.36 57.43 1s1i h GLU 209 Cb 1.25 0.02 -0.29 0.00 -0.16 0.00 0.00 28.75 29.57 1s1i h GLU 209 CO 0.57 -0.05 -0.84 0.39 -1.18 0.00 0.00 179.01 177.90 1s1i n GLU 210 N -2.55 1.15 -0.29 1.92 4.71 -1.26 -3.38 120.64 120.93 1s1i n GLU 210 Ca -0.01 -2.65 -0.05 0.00 -0.01 0.00 0.00 57.16 54.44 1s1i n GLU 210 Cb 0.03 -0.79 0.07 0.00 -1.01 0.00 0.00 31.44 29.74 1s1i n GLU 210 CO 0.00 0.00 0.00 1.37 0.09 0.00 0.00 177.13 178.59 1s1i h LEU 211 N 2.61 1.08 0.00 -4.62 -0.00 -1.98 -3.47 115.31 108.93 1s1i h LEU 211 Ca -0.16 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 1s1i h LEU 211 Cb 1.21 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 1s1i h LEU 211 CO 0.26 0.93 0.00 0.00 -0.00 0.00 0.00 178.44 179.63 1s1i n ALA 212 N -2.42 0.00 0.00 0.17 0.00 -1.26 -5.12 120.51 111.88 1s1i n ALA 212 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1s1i n ALA 212 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1s1i n ALA 212 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s1i n ASP 213 N 0.00 0.00 -4.64 0.00 8.00 -1.26 -4.98 116.55 113.67 1s1i n ASP 213 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1s1i n ASP 213 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1s1i n ASP 213 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1s1i n ASP 214 N 4.10 1.46 -3.67 -2.24 2.03 -1.26 -5.00 116.55 111.97 1s1i n ASP 214 Ca 0.00 0.98 -0.29 0.00 0.52 0.00 0.00 54.79 56.00 1s1i n ASP 214 Cb 0.00 -1.41 -0.16 0.00 -0.72 0.00 0.00 41.12 38.84 1s1i n ASP 214 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1s1i s ASP 215 N -0.85 3.42 0.26 1.67 1.01 -1.26 -4.96 116.67 115.96 1s1i s ASP 215 Ca 0.67 -1.21 0.07 0.00 0.71 0.00 0.00 52.55 52.79 1s1i s ASP 215 Cb -0.50 -0.59 0.34 0.00 1.01 0.00 0.00 42.92 43.18 1s1i s ASP 215 CO 0.54 -0.38 1.61 1.05 0.21 0.00 0.00 175.17 178.20 1s1i h GLU 216 N 8.25 0.15 -0.44 8.23 9.09 -1.94 -3.10 114.58 134.81 1s1i h GLU 216 Ca -0.16 -0.10 0.04 0.00 0.05 0.00 0.00 59.36 59.19 1s1i h GLU 216 Cb 1.06 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 28.14 1s1i h GLU 216 CO 0.41 0.68 0.29 0.93 0.05 0.00 0.00 179.01 181.37 1s1i h GLU 217 N 0.11 0.43 -5.53 1.06 3.07 -1.96 -3.31 114.58 108.46 1s1i h GLU 217 Ca -0.00 -0.03 -0.64 0.00 -0.50 0.00 0.00 59.36 58.19 1s1i h GLU 217 Cb 1.04 -0.10 -0.14 0.00 -0.84 0.00 0.00 28.75 28.71 1s1i h GLU 217 CO 0.08 0.29 0.20 0.50 -1.40 0.00 0.00 179.01 178.68 1s1i s ARG 218 N -5.41 3.34 0.00 2.33 6.06 -1.17 -3.31 118.95 120.79 1s1i s ARG 218 Ca -0.08 -0.27 0.00 0.00 -2.50 0.00 0.00 55.73 52.89 1s1i s ARG 218 Cb 0.18 -3.94 0.00 0.00 0.06 0.00 0.00 34.95 31.25 1s1i s ARG 218 CO 0.73 -1.03 0.00 1.19 -2.50 0.00 0.00 175.30 173.69 1s1i n PHE 219 N 6.39 0.00 0.07 5.12 3.72 -1.24 -4.79 117.46 126.73 1s1i n PHE 219 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1s1i n PHE 219 Cb 0.48 0.00 0.32 0.00 -0.94 0.00 0.00 39.48 39.34 1s1i n PHE 219 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1s1i h SER 220 N 1.53 0.33 -0.74 4.37 0.87 -1.67 0.81 113.55 119.05 1s1i h SER 220 Ca 0.00 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 1s1i h SER 220 Cb 0.00 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 1s1i h SER 220 CO 0.00 0.51 0.21 1.05 -0.53 0.00 0.00 176.83 178.07 1s1i h GLU 221 N 0.32 1.16 -0.17 2.24 -0.00 -1.87 0.03 114.58 116.29 1s1i h GLU 221 Ca 0.06 -0.26 -0.04 0.00 -0.00 0.00 0.00 59.36 59.12 1s1i h GLU 221 Cb 0.47 -0.16 -0.00 0.00 -0.00 0.00 0.00 28.75 29.05 1s1i h GLU 221 CO 0.03 0.99 -0.06 1.25 -0.00 0.00 0.00 179.01 181.22 1s1i h LEU 222 N 1.11 0.34 -1.48 3.06 7.12 -1.48 -3.01 115.31 120.97 1s1i h LEU 222 Ca 0.24 -0.39 -0.02 0.00 0.13 0.00 0.00 57.88 57.83 1s1i h LEU 222 Cb 0.33 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 1s1i h LEU 222 CO -0.00 0.66 0.08 2.19 -0.13 0.00 0.00 178.44 181.23 1s1i h PHE 223 N 0.03 0.42 -0.53 1.25 -5.15 -0.27 0.61 116.94 113.29 1s1i h PHE 223 Ca 0.04 -0.02 0.08 0.00 -0.20 0.00 0.00 57.97 57.87 1s1i h PHE 223 Cb 0.52 -0.13 -0.06 0.00 0.22 0.00 0.00 35.95 36.49 1s1i h PHE 223 CO 0.06 0.37 0.17 0.87 -2.00 0.00 0.00 178.31 177.78 1s1i h LYS 224 N 0.42 0.33 -0.66 6.09 1.79 -0.88 -0.29 116.57 123.37 1s1i h LYS 224 Ca 0.10 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1s1i h LYS 224 Cb 0.16 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 1s1i h LYS 224 CO -0.00 0.22 0.16 0.78 -1.08 0.00 0.00 179.45 179.52 1s1i h GLY 225 N 0.34 1.12 0.78 3.86 0.00 -0.83 -3.19 103.07 105.14 1s1i h GLY 225 Ca 0.26 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1s1i h GLY 225 CO -0.28 0.64 -0.11 -1.82 0.00 0.00 0.00 176.54 174.96 1s1i h TYR 226 N 0.99 -0.29 -3.59 5.60 3.20 -0.67 -3.31 116.97 118.91 1s1i h TYR 226 Ca 0.21 0.01 -0.59 0.00 3.14 0.00 0.00 58.73 61.49 1s1i h TYR 226 Cb 0.35 0.12 -0.10 0.00 1.54 0.00 0.00 36.73 38.65 1s1i h TYR 226 CO 0.03 -0.17 0.64 -1.17 -1.64 0.00 0.00 178.16 175.84 1s1i s LEU 227 N -10.26 3.95 0.00 2.82 0.20 -0.96 -4.80 118.68 109.62 1s1i s LEU 227 Ca -0.14 0.09 0.00 0.00 0.69 0.00 0.00 54.13 54.77 1s1i s LEU 227 Cb 0.07 -3.19 0.00 0.00 -0.43 0.00 0.00 46.19 42.65 1s1i s LEU 227 CO 0.66 -1.12 0.00 0.00 -0.29 0.00 0.00 176.35 175.60 1s1i n ALA 228 N 7.36 0.00 -2.61 5.97 0.00 -1.25 -4.87 120.51 125.11 1s1i n ALA 228 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 1s1i n ALA 228 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1s1i n ALA 228 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s1i s ASP 229 N 0.00 6.41 0.35 0.00 -1.08 -1.26 -4.98 116.67 116.11 1s1i s ASP 229 Ca 0.00 -0.08 0.05 0.00 -0.52 0.00 0.00 52.55 52.01 1s1i s ASP 229 Cb 0.00 -2.50 -0.07 0.00 -1.46 0.00 0.00 42.92 38.89 1s1i s ASP 229 CO 0.00 -1.34 0.02 -1.81 0.52 0.00 0.00 175.17 172.56 1s1i s ASP 230 N 2.85 2.97 -0.13 -0.34 1.01 -1.26 -5.11 116.67 116.66 1s1i s ASP 230 Ca 0.37 -1.34 -0.18 0.00 0.71 0.00 0.00 52.55 52.11 1s1i s ASP 230 Cb -0.10 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.58 1s1i s ASP 230 CO 0.23 -0.50 0.47 -0.63 0.21 0.00 0.00 175.17 174.95 1s1i s ILE 231 N -3.04 5.19 0.00 0.77 1.09 -1.26 -5.21 121.20 118.74 1s1i s ILE 231 Ca 0.35 0.92 0.00 0.00 -1.10 0.00 0.00 60.65 60.82 1s1i s ILE 231 Cb 0.08 -3.81 0.00 0.00 -1.06 0.00 0.00 42.46 37.68 1s1i s ILE 231 CO 0.16 0.31 0.00 0.47 -0.10 0.00 0.00 174.94 175.78