#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crk n LYS 9 N 0.00 -4.23 -0.47 3.52 4.81 -1.26 -5.01 118.16 115.51 2crk n LYS 9 Ca 0.00 3.21 0.00 0.00 -0.87 0.00 0.00 58.31 60.65 2crk n LYS 9 Cb 0.00 -3.78 0.00 0.00 0.02 0.00 0.00 35.03 31.27 2crk n LYS 9 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2crk n TYR 10 N -1.64 -0.30 -3.14 5.64 4.11 -1.26 -4.99 117.16 115.57 2crk n TYR 10 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.94 2crk n TYR 10 Cb 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.55 2crk n TYR 10 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 2crk s LYS 11 N 0.64 0.39 0.00 -3.48 2.47 -1.26 -5.05 119.74 113.45 2crk s LYS 11 Ca 0.00 0.34 0.05 0.00 -1.56 0.00 0.00 55.97 54.80 2crk s LYS 11 Cb 0.00 0.16 0.23 0.00 -1.46 0.00 0.00 37.83 36.76 2crk s LYS 11 CO 0.00 -0.71 0.98 1.28 0.16 0.00 0.00 175.35 177.06 2crk n LEU 12 N 5.22 0.00 0.16 5.43 4.77 -1.26 0.24 117.00 131.56 2crk n LEU 12 Ca 0.07 0.29 0.05 0.00 -0.03 0.00 0.00 56.01 56.39 2crk n LEU 12 Cb 0.56 -0.29 0.13 0.00 -2.33 0.00 0.00 43.42 41.49 2crk n LEU 12 CO -0.10 -0.25 0.57 0.78 -1.33 0.00 0.00 177.39 177.06 2crk h ASN 13 N 0.00 0.00 -4.02 -1.43 -0.26 -2.04 -3.45 115.58 104.38 2crk h ASN 13 Ca 0.00 0.00 -0.46 0.00 -0.56 0.00 0.00 56.30 55.28 2crk h ASN 13 Cb 0.04 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 2crk h ASN 13 CO 0.00 0.41 0.29 -0.31 -1.06 0.00 0.00 177.43 176.77 2crk s TYR 14 N -3.14 3.38 0.39 1.19 2.02 0.14 -5.04 117.35 116.30 2crk s TYR 14 Ca 0.03 1.45 -0.26 0.00 -0.37 0.00 0.00 57.07 57.93 2crk s TYR 14 Cb 0.08 -2.74 -0.09 0.00 -0.40 0.00 0.00 41.96 38.81 2crk s TYR 14 CO 0.72 -0.17 1.18 0.15 -1.57 0.00 0.00 175.55 175.86 2crk s LYS 15 N -3.52 4.08 0.31 -0.62 1.02 -1.26 -4.90 119.74 114.84 2crk s LYS 15 Ca 0.59 1.88 0.08 0.00 0.02 0.00 0.00 55.97 58.53 2crk s LYS 15 Cb -0.10 -2.72 0.83 0.00 -0.52 0.00 0.00 37.83 35.33 2crk s LYS 15 CO 0.22 -0.31 1.74 1.03 -0.92 0.00 0.00 175.35 177.11 2crk h SER 16 N 2.71 0.69 1.06 2.83 0.87 -1.95 0.14 113.55 119.91 2crk h SER 16 Ca -0.49 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.18 2crk h SER 16 Cb 1.23 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2crk h SER 16 CO 0.63 0.15 -0.11 1.05 -0.53 0.00 0.00 176.83 178.02 2crk h GLU 17 N 0.63 0.00 0.00 2.24 4.11 -1.95 0.73 114.58 120.34 2crk h GLU 17 Ca 0.62 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.93 2crk h GLU 17 Cb 1.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2crk h GLU 17 CO -0.45 0.11 -0.56 0.93 0.07 0.00 0.00 179.01 179.10 2crk h GLU 18 N 0.00 0.00 0.00 1.06 5.08 -1.08 -3.31 114.58 116.32 2crk h GLU 18 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2crk h GLU 18 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2crk h GLU 18 CO 0.01 0.56 -0.89 0.39 -1.00 0.00 0.00 179.01 178.09 2crk n GLU 19 N -3.25 1.00 -1.84 2.33 -0.58 -0.98 -5.00 120.64 112.33 2crk n GLU 19 Ca 0.02 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.34 2crk n GLU 19 Cb 0.76 -1.36 -0.02 0.00 -0.57 0.00 0.00 31.44 30.25 2crk n GLU 19 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2crk s TYR 20 N -2.73 2.87 0.48 -0.32 5.04 0.22 -4.96 117.35 117.96 2crk s TYR 20 Ca 0.06 0.74 -0.21 0.00 -2.44 0.00 0.00 57.07 55.23 2crk s TYR 20 Cb 0.14 -4.01 -0.08 0.00 0.35 0.00 0.00 41.96 38.36 2crk s TYR 20 CO 0.74 -3.49 1.08 -1.25 -1.34 0.00 0.00 175.55 171.29 2crk s PRO 21 N -0.01 3.74 -0.96 4.97 0.04 -1.26 -4.95 135.00 136.57 2crk s PRO 21 Ca 0.65 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.98 2crk s PRO 21 Cb -0.46 -2.18 0.09 0.00 0.04 0.00 0.00 34.50 31.99 2crk s PRO 21 CO 0.42 -0.50 1.27 0.34 0.04 0.00 0.00 177.00 178.57 2crk s ASP 22 N -1.79 6.56 -0.12 6.66 -1.08 -1.26 -4.83 116.67 120.82 2crk s ASP 22 Ca 0.67 -1.75 0.08 0.00 -0.52 0.00 0.00 52.55 51.03 2crk s ASP 22 Cb -0.21 -2.48 0.44 0.00 -1.46 0.00 0.00 42.92 39.22 2crk s ASP 22 CO 0.25 -1.27 1.20 0.18 0.52 0.00 0.00 175.17 176.04 2crk n LEU 23 N 7.62 3.46 0.00 -1.34 4.77 -1.26 -4.81 117.00 125.44 2crk n LEU 23 Ca 0.27 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 2crk n LEU 23 Cb 0.50 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2crk n LEU 23 CO 0.58 0.47 0.09 -0.24 -1.33 0.00 0.00 177.39 176.95 2crk n SER 24 N 0.39 0.00 -3.23 -1.43 2.88 -1.26 -2.32 113.62 108.65 2crk n SER 24 Ca 0.15 0.18 -0.37 0.00 -1.33 0.00 0.00 58.87 57.50 2crk n SER 24 Cb 0.73 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.20 2crk n SER 24 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2crk n LYS 25 N -0.56 4.20 -4.10 -1.46 5.02 -1.26 -4.97 118.16 115.02 2crk n LYS 25 Ca 0.00 -4.40 -0.31 0.00 -2.02 0.00 0.00 58.31 51.57 2crk n LYS 25 Cb 0.00 -2.36 -0.07 0.00 -0.02 0.00 0.00 35.03 32.58 2crk n LYS 25 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2crk s HIS 26 N -4.05 3.19 -0.48 2.13 3.76 -0.98 -4.82 115.29 114.04 2crk s HIS 26 Ca 0.45 0.11 0.05 0.00 -0.15 0.00 0.00 55.06 55.52 2crk s HIS 26 Cb 0.29 -1.66 0.20 0.00 1.11 0.00 0.00 32.58 32.52 2crk s HIS 26 CO -0.21 0.52 0.45 -1.71 -0.85 0.00 0.00 174.74 172.94 2crk n ASN 27 N 0.81 0.67 -3.87 1.40 4.05 -0.64 -4.92 115.26 112.77 2crk n ASN 27 Ca -0.11 -2.70 -0.10 0.00 0.45 0.00 0.00 54.58 52.13 2crk n ASN 27 Cb 0.52 -0.62 -0.08 0.00 1.23 0.00 0.00 39.78 40.83 2crk n ASN 27 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2crk s ASN 28 N -0.76 0.10 0.41 1.20 2.20 -1.26 -3.70 114.94 113.12 2crk s ASN 28 Ca 0.33 -0.52 0.15 0.00 -0.94 0.00 0.00 52.86 51.88 2crk s ASN 28 Cb 0.07 0.30 1.00 0.00 -2.00 0.00 0.00 41.25 40.63 2crk s ASN 28 CO -0.15 -0.62 1.88 0.45 -2.94 0.00 0.00 177.10 175.71 2crk h HIS 29 N 3.18 0.59 -0.24 1.54 3.86 -0.29 -2.26 115.15 121.53 2crk h HIS 29 Ca -0.33 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 58.86 2crk h HIS 29 Cb 1.19 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 2crk h HIS 29 CO 0.47 0.20 0.01 1.98 0.86 0.00 0.00 177.93 181.45 2crk h MET 30 N 0.48 0.42 0.00 2.45 1.85 -1.41 -3.04 114.93 115.68 2crk h MET 30 Ca 0.43 -0.13 -0.02 0.00 -0.61 0.00 0.00 59.70 59.37 2crk h MET 30 Cb 0.94 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.93 2crk h MET 30 CO -0.16 0.58 -0.11 0.00 -0.40 0.00 0.00 176.91 176.82 2crk h ALA 31 N 0.82 1.26 0.01 0.39 0.00 -1.72 -1.47 119.26 118.55 2crk h ALA 31 Ca 0.07 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2crk h ALA 31 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2crk h ALA 31 CO 0.01 0.14 -0.91 1.57 0.00 0.00 0.00 179.25 180.05 2crk h LYS 32 N 0.00 0.06 0.09 0.00 2.10 -1.38 -3.36 116.57 114.07 2crk h LYS 32 Ca -0.00 -0.07 -0.33 0.00 -2.00 0.00 0.00 60.65 58.25 2crk h LYS 32 Cb 0.34 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.67 2crk h LYS 32 CO 0.01 0.93 -1.78 0.28 -2.00 0.00 0.00 179.45 176.89 2crk h VAL 33 N 0.03 0.84 -3.50 0.07 2.07 -1.26 -3.47 116.25 111.04 2crk h VAL 33 Ca -0.02 -2.58 -0.52 0.00 0.82 0.00 0.00 66.70 64.39 2crk h VAL 33 Cb 1.59 2.55 0.05 0.00 -1.52 0.00 0.00 31.29 33.97 2crk h VAL 33 CO 0.13 0.75 0.68 -0.76 0.02 0.00 0.00 177.57 178.39 2crk s LEU 34 N -6.74 4.41 0.08 2.57 1.43 -0.63 -4.98 118.68 114.82 2crk s LEU 34 Ca -0.13 2.55 0.01 0.00 -1.03 0.00 0.00 54.13 55.53 2crk s LEU 34 Cb 0.07 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2crk s LEU 34 CO 0.81 -0.58 -0.06 0.42 0.23 0.00 0.00 176.35 177.17 2crk s THR 35 N -0.22 0.61 0.35 5.49 -4.23 -1.26 -4.95 115.64 111.43 2crk s THR 35 Ca 0.56 -1.80 0.11 0.00 -1.18 0.00 0.00 61.69 59.38 2crk s THR 35 Cb -0.39 -1.51 0.33 0.00 1.34 0.00 0.00 72.50 72.28 2crk s THR 35 CO 0.43 -0.82 1.80 -0.65 -0.54 0.00 0.00 174.62 174.84 2crk h PRO 36 N 3.21 0.61 -0.30 3.99 0.11 -1.99 -2.36 132.00 135.26 2crk h PRO 36 Ca -0.35 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 2crk h PRO 36 Cb 1.17 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2crk h PRO 36 CO 0.61 0.40 -0.04 -0.44 -0.21 0.00 0.00 178.00 178.33 2crk h ASP 37 N 0.63 0.55 -0.87 -2.05 3.32 -1.99 0.10 116.42 116.10 2crk h ASP 37 Ca 0.54 -0.34 0.07 0.00 0.02 0.00 0.00 57.03 57.32 2crk h ASP 37 Cb 1.03 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.38 2crk h ASP 37 CO -0.30 0.76 0.57 0.25 -1.72 0.00 0.00 179.24 178.80 2crk h LEU 38 N 0.33 0.85 0.17 1.55 5.85 -1.82 0.71 115.31 122.96 2crk h LEU 38 Ca 0.08 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2crk h LEU 38 Cb 0.50 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2crk h LEU 38 CO 0.02 0.54 -0.08 0.22 -0.34 0.00 0.00 178.44 178.80 2crk h TYR 39 N 0.96 -0.22 -0.64 1.25 3.20 -1.26 -2.22 116.97 118.04 2crk h TYR 39 Ca 0.38 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.38 2crk h TYR 39 Cb 0.24 0.07 -0.10 0.00 1.54 0.00 0.00 36.73 38.48 2crk h TYR 39 CO -0.00 0.20 0.09 -0.22 -1.64 0.00 0.00 178.16 176.58 2crk h LYS 40 N -0.74 0.19 -0.37 1.82 3.64 -0.53 0.29 116.57 120.87 2crk h LYS 40 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2crk h LYS 40 Cb 0.51 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2crk h LYS 40 CO 0.04 0.13 0.20 -0.22 -2.27 0.00 0.00 179.45 177.32 2crk h LYS 41 N 0.20 0.52 -0.01 1.90 3.64 -0.87 -3.28 116.57 118.67 2crk h LYS 41 Ca 0.34 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2crk h LYS 41 Cb 0.56 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2crk h LYS 41 CO -0.49 0.44 -0.66 1.28 -2.27 0.00 0.00 179.45 177.75 2crk n LEU 42 N -4.75 1.41 0.24 5.20 4.77 -0.84 -4.49 117.00 118.54 2crk n LEU 42 Ca -0.00 -0.55 0.16 0.00 -0.03 0.00 0.00 56.01 55.59 2crk n LEU 42 Cb 0.09 -0.03 0.79 0.00 -2.33 0.00 0.00 43.42 41.93 2crk n LEU 42 CO 0.36 0.29 0.99 0.08 -1.33 0.00 0.00 177.39 177.77 2crk h ARG 43 N 1.19 0.00 -0.38 3.23 0.11 -0.49 -2.27 114.38 115.77 2crk h ARG 43 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2crk h ARG 43 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 2crk h ARG 43 CO 0.00 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 179.67 2crk n ASP 44 N -2.71 3.47 -4.96 0.08 5.75 -1.26 -4.83 116.55 112.08 2crk n ASP 44 Ca -0.01 -2.00 -0.22 0.00 -0.01 0.00 0.00 54.79 52.55 2crk n ASP 44 Cb 0.15 -0.24 0.04 0.00 -1.03 0.00 0.00 41.12 40.04 2crk n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2crk s LYS 45 N -1.51 2.50 -0.13 0.11 -0.14 -0.85 -5.11 119.74 114.61 2crk s LYS 45 Ca 0.38 -0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 54.04 2crk s LYS 45 Cb 0.23 -2.42 0.13 0.00 -1.68 0.00 0.00 37.83 34.08 2crk s LYS 45 CO 0.32 -0.80 1.01 -1.83 -0.76 0.00 0.00 175.35 173.29 2crk s GLU 46 N -4.85 0.60 0.63 1.68 -1.05 -1.26 -4.54 118.70 109.90 2crk s GLU 46 Ca 0.57 0.00 -0.09 0.00 -0.15 0.00 0.00 54.97 55.31 2crk s GLU 46 Cb -0.10 0.28 -0.00 0.00 -0.44 0.00 0.00 34.13 33.86 2crk s GLU 46 CO 0.40 -0.22 0.99 0.95 0.95 0.00 0.00 175.26 178.34 2crk s THR 47 N -1.73 3.95 0.61 1.83 -4.23 -0.09 -4.88 115.64 111.10 2crk s THR 47 Ca 0.02 0.40 0.27 0.00 -1.18 0.00 0.00 61.69 61.20 2crk s THR 47 Cb -0.01 -3.60 0.36 0.00 1.34 0.00 0.00 72.50 70.60 2crk s THR 47 CO -0.02 -0.72 1.69 -0.65 -0.54 0.00 0.00 174.62 174.38 2crk h PRO 48 N -0.35 0.00 -0.01 3.99 0.11 -1.95 0.25 132.00 134.03 2crk h PRO 48 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2crk h PRO 48 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2crk h PRO 48 CO 0.62 0.00 -0.27 -1.13 -0.21 0.00 0.00 178.00 177.01 2crk n SER 49 N -3.44 1.31 0.00 -2.05 3.41 -1.26 -4.94 113.62 106.65 2crk n SER 49 Ca 0.11 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 2crk n SER 49 Cb 0.90 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 2crk n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crk n GLY 50 N 1.34 0.78 3.68 5.00 0.00 0.88 -5.06 105.19 111.82 2crk n GLY 50 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2crk n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2crk s PHE 51 N -2.00 3.44 0.41 1.61 5.36 -1.26 -4.75 117.98 120.79 2crk s PHE 51 Ca 0.00 1.46 0.07 0.00 -0.96 0.00 0.00 56.93 57.51 2crk s PHE 51 Cb 0.00 -3.16 -0.06 0.00 -0.34 0.00 0.00 43.02 39.47 2crk s PHE 51 CO 0.00 -0.29 0.16 0.95 -1.46 0.00 0.00 175.22 174.57 2crk s THR 52 N 2.35 2.31 0.23 0.12 -4.23 -1.26 -0.91 115.64 114.25 2crk s THR 52 Ca 0.44 -1.74 -0.07 0.00 -1.18 0.00 0.00 61.69 59.15 2crk s THR 52 Cb -0.17 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 70.89 2crk s THR 52 CO 0.13 -0.01 1.85 0.25 -0.54 0.00 0.00 174.62 176.30 2crk h LEU 53 N 1.48 1.13 -1.78 4.79 5.85 -1.82 -1.30 115.31 123.67 2crk h LEU 53 Ca -0.43 -0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.32 2crk h LEU 53 Cb 1.25 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2crk h LEU 53 CO 0.71 0.91 0.41 0.44 -0.34 0.00 0.00 178.44 180.57 2crk h ASP 54 N 1.26 0.22 1.25 1.25 3.32 -1.94 0.22 116.42 122.00 2crk h ASP 54 Ca 0.32 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 2crk h ASP 54 Cb 0.04 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2crk h ASP 54 CO -0.05 0.12 -0.38 0.44 -1.72 0.00 0.00 179.24 177.65 2crk h ASP 55 N 0.24 0.00 0.02 6.45 3.32 -1.64 -2.04 116.42 122.77 2crk h ASP 55 Ca 0.28 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 2crk h ASP 55 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2crk h ASP 55 CO -0.06 0.38 -0.14 -0.37 -1.72 0.00 0.00 179.24 177.33 2crk h VAL 56 N 0.00 1.74 -0.00 -1.35 -1.51 -0.32 -3.37 116.25 111.45 2crk h VAL 56 Ca -0.00 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 63.09 2crk h VAL 56 Cb 1.11 3.36 0.00 0.00 -2.13 0.00 0.00 31.29 33.62 2crk h VAL 56 CO 0.05 0.62 -0.00 2.30 -1.23 0.00 0.00 177.57 179.31 2crk n ILE 57 N -4.53 0.00 -0.06 7.19 -5.35 -0.64 -1.90 119.36 114.06 2crk n ILE 57 Ca -0.11 -0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.30 2crk n ILE 57 Cb 0.54 -0.50 -0.01 0.00 -1.74 0.00 0.00 39.64 37.92 2crk n ILE 57 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 2crk h GLN 58 N 0.00 -0.20 0.00 6.28 5.75 -1.53 -0.13 115.11 125.28 2crk h GLN 58 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2crk h GLN 58 Cb 0.39 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2crk h GLN 58 CO 0.00 -0.14 0.00 0.00 -2.65 0.00 0.00 178.83 176.04 2crk h THR 59 N -0.21 0.00 0.00 2.39 1.03 -1.75 0.57 112.91 114.94 2crk h THR 59 Ca 0.15 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.44 2crk h THR 59 Cb 0.44 1.07 0.00 0.00 -1.07 0.00 0.00 68.15 68.59 2crk h THR 59 CO -0.40 0.00 -0.81 1.23 -0.01 0.00 0.00 175.52 175.53 2crk h GLY 60 N 0.47 0.00 1.20 2.99 0.00 -0.30 -2.54 103.07 104.89 2crk h GLY 60 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2crk h GLY 60 CO 0.00 0.00 -1.56 -2.08 0.00 0.00 0.00 176.54 172.90 2crk h VAL 61 N 0.00 1.09 0.04 4.60 2.07 0.36 -3.37 116.25 121.04 2crk h VAL 61 Ca 0.00 -2.81 -0.23 0.00 0.82 0.00 0.00 66.70 64.48 2crk h VAL 61 Cb 0.90 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 33.31 2crk h VAL 61 CO 0.00 0.75 -1.02 0.44 0.02 0.00 0.00 177.57 177.76 2crk h ASP 62 N 0.04 0.36 -4.09 0.57 3.32 -1.27 -3.40 116.42 111.95 2crk h ASP 62 Ca -0.24 -0.33 -0.72 0.00 0.02 0.00 0.00 57.03 55.76 2crk h ASP 62 Cb 1.98 -0.11 -0.33 0.00 0.22 0.00 0.00 39.33 41.08 2crk h ASP 62 CO 0.12 1.18 -0.25 0.20 -1.72 0.00 0.00 179.24 178.77 2crk s ASN 63 N -7.02 5.58 0.46 6.45 -0.87 -0.96 -4.89 114.94 113.69 2crk s ASN 63 Ca -0.04 -2.85 0.24 0.00 -1.57 0.00 0.00 52.86 48.64 2crk s ASN 63 Cb 0.09 -1.93 1.06 0.00 -0.02 0.00 0.00 41.25 40.44 2crk s ASN 63 CO 0.86 -0.41 1.90 1.55 -2.57 0.00 0.00 177.10 178.43 2crk h PRO 64 N 7.15 0.00 0.00 -0.60 0.13 -1.79 -3.45 132.00 133.44 2crk h PRO 64 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2crk h PRO 64 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2crk h PRO 64 CO 0.72 0.22 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 2crk n GLY 65 N -0.16 0.92 3.04 1.56 0.00 -1.26 -1.62 105.19 107.68 2crk n GLY 65 Ca -0.01 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 2crk n GLY 65 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2crk s HIS 66 N 0.00 1.02 0.62 1.61 2.46 -1.26 -4.95 115.29 114.79 2crk s HIS 66 Ca 0.00 -0.22 0.33 0.00 0.47 0.00 0.00 55.06 55.64 2crk s HIS 66 Cb 0.00 -0.68 1.89 0.00 -0.13 0.00 0.00 32.58 33.66 2crk s HIS 66 CO 0.00 -0.05 2.19 -1.35 -2.47 0.00 0.00 174.74 173.05 2crk h PRO 67 N 6.07 0.00 -0.34 2.88 0.11 -1.92 -2.72 132.00 136.08 2crk h PRO 67 Ca -0.33 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.61 2crk h PRO 67 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2crk h PRO 67 CO 0.49 0.00 -0.45 0.74 -0.21 0.00 0.00 178.00 178.57 2crk h PHE 68 N 0.00 1.11 -4.07 0.65 0.04 -1.98 -3.45 116.94 109.25 2crk h PHE 68 Ca 0.03 -0.36 -0.41 0.00 2.80 0.00 0.00 57.97 60.03 2crk h PHE 68 Cb 0.27 -0.22 -0.29 0.00 2.20 0.00 0.00 35.95 37.91 2crk h PHE 68 CO 0.00 1.19 -0.79 -1.50 -0.60 0.00 0.00 178.31 176.61 2crk s ILE 69 N -4.28 0.80 -0.15 -0.55 1.10 -1.02 -5.13 121.20 111.95 2crk s ILE 69 Ca -0.11 -0.43 -0.17 0.00 -0.51 0.00 0.00 60.65 59.43 2crk s ILE 69 Cb 0.11 -0.67 -0.04 0.00 0.15 0.00 0.00 42.46 42.01 2crk s ILE 69 CO 0.89 0.23 0.44 -0.32 -2.11 0.00 0.00 174.94 174.06 2crk s MET 70 N -0.23 4.28 0.29 3.50 1.75 -1.26 -4.34 119.30 123.30 2crk s MET 70 Ca 0.04 0.34 0.06 0.00 -1.25 0.00 0.00 55.69 54.88 2crk s MET 70 Cb -0.04 -3.47 -0.02 0.00 2.84 0.00 0.00 34.83 34.14 2crk s MET 70 CO -0.00 0.10 0.38 0.95 -0.65 0.00 0.00 175.02 175.79 2crk s THR 71 N 0.83 4.42 0.16 10.11 -4.23 -1.24 -4.94 115.64 120.75 2crk s THR 71 Ca 0.23 -1.10 -0.09 0.00 -1.18 0.00 0.00 61.69 59.55 2crk s THR 71 Cb -0.15 -3.52 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 2crk s THR 71 CO 0.09 -0.24 1.52 0.58 -0.54 0.00 0.00 174.62 176.03 2crk h VAL 72 N 1.11 1.27 -0.06 2.29 2.07 -1.94 0.17 116.25 121.16 2crk h VAL 72 Ca -0.48 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 65.52 2crk h VAL 72 Cb 1.25 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2crk h VAL 72 CO 0.57 0.50 -0.03 0.61 0.02 0.00 0.00 177.57 179.25 2crk n GLY 73 N 0.02 0.48 3.40 2.17 0.00 -1.26 -1.20 105.19 108.80 2crk n GLY 73 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 2crk n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crk s VAL 75 N -3.52 0.32 -0.09 0.00 -7.23 -0.80 -4.51 120.40 104.58 2crk s VAL 75 Ca 0.00 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 2crk s VAL 75 Cb -0.00 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 2crk s VAL 75 CO -0.11 -0.46 -0.12 0.00 -0.31 0.00 0.00 175.10 174.10 2crk s ALA 76 N -3.90 2.71 -2.43 1.32 0.00 -0.71 -4.30 121.76 114.46 2crk s ALA 76 Ca 0.24 -0.92 0.21 0.00 0.00 0.00 0.00 51.96 51.49 2crk s ALA 76 Cb 0.07 -1.13 0.13 0.00 0.00 0.00 0.00 23.12 22.19 2crk s ALA 76 CO 0.03 0.42 1.12 0.41 0.00 0.00 0.00 175.76 177.74 2crk n GLY 77 N 2.83 0.53 3.37 0.00 0.00 -1.26 -4.62 105.19 106.03 2crk n GLY 77 Ca -0.18 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 2crk n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2crk s ASP 78 N -1.85 0.05 0.19 1.61 1.01 -1.26 0.74 116.67 117.17 2crk s ASP 78 Ca 0.23 -1.08 0.04 0.00 0.71 0.00 0.00 52.55 52.45 2crk s ASP 78 Cb 0.17 0.46 0.10 0.00 1.01 0.00 0.00 42.92 44.66 2crk s ASP 78 CO 0.31 -0.95 1.45 -0.08 0.21 0.00 0.00 175.17 176.11 2crk h GLU 79 N 2.49 0.16 0.00 8.23 4.81 -1.94 -3.10 114.58 125.23 2crk h GLU 79 Ca -0.31 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2crk h GLU 79 Cb 1.24 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2crk h GLU 79 CO 0.46 0.86 0.00 -0.85 -0.73 0.00 0.00 179.01 178.75 2crk n GLU 80 N -3.71 0.65 0.03 1.92 0.00 -1.26 -3.53 120.64 114.74 2crk n GLU 80 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.09 2crk n GLU 80 Cb 0.74 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.85 2crk n GLU 80 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2crk h SER 81 N 0.00 0.45 0.25 -1.84 0.02 -1.94 0.43 113.55 110.93 2crk h SER 81 Ca 0.00 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 2crk h SER 81 Cb 0.17 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2crk h SER 81 CO 0.00 0.78 -0.31 1.88 -1.14 0.00 0.00 176.83 178.04 2crk h TYR 82 N 0.37 0.10 0.00 3.45 0.05 -1.76 -1.69 116.97 117.49 2crk h TYR 82 Ca 0.04 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 2crk h TYR 82 Cb 0.80 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 2crk h TYR 82 CO 0.02 0.39 -0.74 1.15 -1.05 0.00 0.00 178.16 177.94 2crk h THR 83 N 0.08 0.72 -0.73 -2.88 2.02 -1.69 -2.74 112.91 107.69 2crk h THR 83 Ca 0.01 -1.77 0.09 0.00 0.77 0.00 0.00 66.41 65.50 2crk h THR 83 Cb 0.59 1.59 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 2crk h THR 83 CO 0.04 0.24 0.38 0.58 0.37 0.00 0.00 175.52 177.14 2crk h VAL 84 N -1.00 0.89 -0.80 3.16 2.07 -0.98 -2.16 116.25 117.43 2crk h VAL 84 Ca -0.17 -0.23 -0.50 0.00 0.82 0.00 0.00 66.70 66.62 2crk h VAL 84 Cb 0.91 0.17 -0.28 0.00 -1.52 0.00 0.00 31.29 30.57 2crk h VAL 84 CO -0.10 0.12 0.27 0.49 0.02 0.00 0.00 177.57 178.37 2crk n PHE 85 N -4.82 2.60 0.18 1.57 3.72 -0.63 -4.74 117.46 115.33 2crk n PHE 85 Ca 0.11 -2.30 0.14 0.00 -0.05 0.00 0.00 57.45 55.35 2crk n PHE 85 Cb 0.25 -0.91 0.74 0.00 -0.94 0.00 0.00 39.48 38.62 2crk n PHE 85 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2crk h LYS 86 N 1.60 0.00 0.00 -1.08 2.10 -1.06 -1.13 116.57 117.00 2crk h LYS 86 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 2crk h LYS 86 Cb 1.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.90 2crk h LYS 86 CO 1.05 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 178.06 2crk h ASP 87 N 0.00 0.00 0.00 7.07 5.19 -1.85 0.30 116.42 127.13 2crk h ASP 87 Ca 0.09 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.37 2crk h ASP 87 Cb 0.39 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 2crk h ASP 87 CO -0.00 0.00 -1.36 -0.11 -3.12 0.00 0.00 179.24 174.65 2crk n LEU 88 N -2.43 1.93 -0.17 1.55 0.00 -0.51 -4.61 117.00 112.76 2crk n LEU 88 Ca 0.01 0.37 -0.08 0.00 0.00 0.00 0.00 56.01 56.32 2crk n LEU 88 Cb 0.23 -0.79 0.01 0.00 0.00 0.00 0.00 43.42 42.87 2crk n LEU 88 CO 0.20 -0.05 1.00 -0.26 0.00 0.00 0.00 177.39 178.29 2crk h PHE 89 N -1.00 0.69 -0.28 1.96 0.04 -1.30 -3.23 116.94 113.82 2crk h PHE 89 Ca -0.20 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.57 2crk h PHE 89 Cb 1.12 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 39.01 2crk h PHE 89 CO -0.29 0.53 -0.30 -0.44 -0.60 0.00 0.00 178.31 177.21 2crk h ASP 90 N 0.65 -1.03 0.12 2.17 3.32 -0.64 0.88 116.42 121.89 2crk h ASP 90 Ca 0.17 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 2crk h ASP 90 Cb 0.09 0.43 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 2crk h ASP 90 CO -0.02 -0.20 -0.06 1.55 -1.72 0.00 0.00 179.24 178.78 2crk h PRO 91 N -0.17 0.00 -0.14 3.56 0.13 -1.78 -1.91 132.00 131.69 2crk h PRO 91 Ca 0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.01 2crk h PRO 91 Cb 0.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 2crk h PRO 91 CO -0.35 0.06 -0.61 0.82 -0.23 0.00 0.00 178.00 177.70 2crk h ILE 92 N 0.00 1.34 -0.10 -3.56 2.04 -1.40 -2.30 117.51 113.54 2crk h ILE 92 Ca -0.00 -1.91 -0.20 0.00 1.00 0.00 0.00 64.86 63.75 2crk h ILE 92 Cb 0.14 1.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2crk h ILE 92 CO 0.01 0.58 -0.74 0.40 0.00 0.00 0.00 178.15 178.40 2crk h ILE 93 N 0.34 1.35 -0.15 -0.67 2.04 -0.27 -1.95 117.51 118.20 2crk h ILE 93 Ca -0.01 -2.08 -0.13 0.00 1.00 0.00 0.00 64.86 63.64 2crk h ILE 93 Cb 1.15 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 2crk h ILE 93 CO 0.11 0.64 -0.46 -0.61 0.00 0.00 0.00 178.15 177.83 2crk h GLN 94 N 0.36 0.37 0.09 2.37 4.15 -1.30 -1.33 115.11 119.82 2crk h GLN 94 Ca -0.04 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.18 2crk h GLN 94 Cb 1.33 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.03 2crk h GLN 94 CO 0.14 0.76 -0.04 0.22 -1.93 0.00 0.00 178.83 177.97 2crk h ASP 95 N 0.30 -0.11 0.36 -0.69 1.82 -1.40 1.24 116.42 117.94 2crk h ASP 95 Ca 0.02 -0.48 -0.09 0.00 -0.39 0.00 0.00 57.03 56.09 2crk h ASP 95 Cb 0.93 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.95 2crk h ASP 95 CO 0.08 0.53 -0.39 -0.09 -1.61 0.00 0.00 179.24 177.75 2crk h ARG 96 N -0.86 0.05 -0.69 0.28 9.65 -1.40 -3.25 114.38 118.16 2crk h ARG 96 Ca -0.01 -0.02 -0.47 0.00 -1.10 0.00 0.00 59.98 58.38 2crk h ARG 96 Cb 0.58 -0.00 -0.30 0.00 -1.39 0.00 0.00 29.97 28.86 2crk h ARG 96 CO 0.02 0.44 -0.17 0.72 2.80 0.00 0.00 179.97 183.78 2crk n HIS 97 N -4.06 2.36 -3.29 2.20 8.25 -0.50 -5.00 115.22 115.18 2crk n HIS 97 Ca -0.02 -2.24 -0.11 0.00 -0.26 0.00 0.00 57.72 55.10 2crk n HIS 97 Cb 0.43 -0.67 0.02 0.00 1.12 0.00 0.00 29.99 30.90 2crk n HIS 97 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2crk n GLY 98 N -0.89 -1.21 2.61 -1.41 0.00 -1.20 -3.37 105.19 99.72 2crk n GLY 98 Ca 0.45 0.51 -0.09 0.00 0.00 0.00 0.00 46.02 46.89 2crk n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crk n GLY 99 N -1.65 0.97 3.56 -0.02 0.00 0.42 -4.93 105.19 103.54 2crk n GLY 99 Ca -0.08 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2crk n GLY 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2crk s PHE 100 N -1.99 1.47 0.92 1.61 5.36 -1.22 -4.93 117.98 119.19 2crk s PHE 100 Ca 0.00 1.01 -0.11 0.00 -0.96 0.00 0.00 56.93 56.88 2crk s PHE 100 Cb 0.00 -3.92 0.15 0.00 -0.34 0.00 0.00 43.02 38.91 2crk s PHE 100 CO 0.00 -2.53 1.11 0.15 -1.46 0.00 0.00 175.22 172.50 2crk s LYS 101 N 7.25 1.00 0.46 10.12 3.01 -1.26 -3.64 119.74 136.68 2crk s LYS 101 Ca 0.80 1.32 0.31 0.00 -1.01 0.00 0.00 55.97 57.39 2crk s LYS 101 Cb -0.16 -1.74 1.50 0.00 -1.01 0.00 0.00 37.83 36.41 2crk s LYS 101 CO 0.24 -2.57 1.94 -1.35 0.51 0.00 0.00 175.35 174.13 2crk h PRO 102 N -1.81 0.00 -0.35 -1.68 0.11 -1.92 -2.60 132.00 123.74 2crk h PRO 102 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2crk h PRO 102 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2crk h PRO 102 CO 0.46 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.50 2crk n THR 103 N -2.69 0.90 -2.21 -1.15 -2.24 -1.26 -5.01 114.28 100.62 2crk n THR 103 Ca -0.00 -0.95 -0.27 0.00 -2.27 0.00 0.00 64.05 60.56 2crk n THR 103 Cb 0.17 0.58 0.06 0.00 -2.10 0.00 0.00 70.33 69.03 2crk n THR 103 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2crk s ASP 104 N -1.00 5.07 0.14 3.42 1.01 -0.98 -5.10 116.67 119.22 2crk s ASP 104 Ca 0.25 0.60 0.07 0.00 0.71 0.00 0.00 52.55 54.18 2crk s ASP 104 Cb 0.13 -1.35 -0.04 0.00 1.01 0.00 0.00 42.92 42.67 2crk s ASP 104 CO 0.18 -1.44 -0.17 -0.54 0.21 0.00 0.00 175.17 173.41 2crk s LYS 105 N -5.20 1.14 -0.19 8.23 -0.14 -1.26 -4.62 119.74 117.69 2crk s LYS 105 Ca 0.58 -1.30 -0.03 0.00 -1.36 0.00 0.00 55.97 53.87 2crk s LYS 105 Cb -0.11 -1.14 -0.01 0.00 -1.68 0.00 0.00 37.83 34.90 2crk s LYS 105 CO 0.46 0.23 -0.06 -1.58 -0.76 0.00 0.00 175.35 173.63 2crk s HIS 106 N -1.98 2.94 -0.13 3.18 5.65 -0.41 -4.78 115.29 119.76 2crk s HIS 106 Ca 0.11 -0.80 -0.13 0.00 0.25 0.00 0.00 55.06 54.49 2crk s HIS 106 Cb -0.06 -2.03 -0.05 0.00 -1.18 0.00 0.00 32.58 29.26 2crk s HIS 106 CO 0.05 -0.41 0.31 -1.59 -0.65 0.00 0.00 174.74 172.44 2crk s LYS 107 N 1.10 4.11 -0.08 2.88 -2.85 -1.26 -4.67 119.74 118.97 2crk s LYS 107 Ca 0.01 0.15 -0.04 0.00 -1.00 0.00 0.00 55.97 55.08 2crk s LYS 107 Cb -0.15 -3.37 -0.04 0.00 -2.06 0.00 0.00 37.83 32.22 2crk s LYS 107 CO -0.01 0.37 0.11 0.99 0.10 0.00 0.00 175.35 176.92 2crk s THR 108 N 0.05 5.17 -0.30 3.79 2.01 -1.26 -3.67 115.64 121.44 2crk s THR 108 Ca 0.18 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.16 2crk s THR 108 Cb -0.14 -3.29 0.14 0.00 0.01 0.00 0.00 72.50 69.23 2crk s THR 108 CO 0.06 0.53 0.32 -0.62 -0.69 0.00 0.00 174.62 174.22 2crk s ASP 109 N -1.26 1.45 -0.22 3.53 2.15 -1.26 -4.95 116.67 116.12 2crk s ASP 109 Ca 0.18 -0.77 0.14 0.00 0.43 0.00 0.00 52.55 52.53 2crk s ASP 109 Cb -0.12 0.60 0.49 0.00 -0.30 0.00 0.00 42.92 43.59 2crk s ASP 109 CO 0.08 -0.37 1.40 0.18 -0.17 0.00 0.00 175.17 176.28 2crk n LEU 110 N 5.23 3.78 -4.48 -1.34 4.77 -1.26 -2.90 117.00 120.81 2crk n LEU 110 Ca -0.01 -3.34 -0.43 0.00 -0.03 0.00 0.00 56.01 52.21 2crk n LEU 110 Cb 0.47 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2crk n LEU 110 CO 0.01 0.92 0.86 0.21 -1.33 0.00 0.00 177.39 178.05 2crk s ASN 111 N -2.31 6.17 0.62 -1.43 3.84 -1.26 -4.85 114.94 115.73 2crk s ASN 111 Ca 0.42 -0.87 0.38 0.00 0.21 0.00 0.00 52.86 53.00 2crk s ASN 111 Cb 0.36 -2.45 2.09 0.00 -0.55 0.00 0.00 41.25 40.69 2crk s ASN 111 CO 0.04 -1.54 2.28 1.12 -2.79 0.00 0.00 177.10 176.22 2crk h HIS 112 N 9.67 0.00 0.00 0.43 2.07 -1.91 -0.35 115.15 125.06 2crk h HIS 112 Ca -0.28 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.21 2crk h HIS 112 Cb 1.06 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.04 2crk h HIS 112 CO 1.01 0.01 -0.13 0.93 -3.07 0.00 0.00 177.93 176.69 2crk h GLU 113 N 0.00 0.00 0.00 5.12 5.08 -1.99 -0.94 114.58 121.84 2crk h GLU 113 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2crk h GLU 113 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2crk h GLU 113 CO 0.00 0.13 0.00 0.09 -1.00 0.00 0.00 179.01 178.23 2crk n ASN 114 N -3.69 0.00 0.08 1.42 5.03 -0.14 -1.62 115.26 116.34 2crk n ASN 114 Ca -0.02 0.44 0.09 0.00 0.87 0.00 0.00 54.58 55.96 2crk n ASN 114 Cb 0.24 -0.48 0.39 0.00 -1.02 0.00 0.00 39.78 38.91 2crk n ASN 114 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2crk n LEU 115 N -1.48 0.35 -1.68 3.41 7.94 -0.36 -4.75 117.00 120.44 2crk n LEU 115 Ca 0.06 0.60 -0.13 0.00 -1.11 0.00 0.00 56.01 55.42 2crk n LEU 115 Cb 0.23 -0.57 -0.06 0.00 0.53 0.00 0.00 43.42 43.55 2crk n LEU 115 CO 0.19 -0.49 0.82 2.29 -1.11 0.00 0.00 177.39 179.08 2crk n LYS 116 N -1.91 0.00 0.00 1.96 2.85 -0.64 -2.54 118.16 117.88 2crk n LYS 116 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2crk n LYS 116 Cb 0.16 -0.51 0.00 0.00 -0.65 0.00 0.00 35.03 34.03 2crk n LYS 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2crk n GLY 117 N 2.32 0.80 0.00 2.58 0.00 -1.26 -5.13 105.19 104.50 2crk n GLY 117 Ca 0.25 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2crk n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crk n GLY 118 N 0.00 2.83 0.00 -0.02 0.00 -1.05 -4.98 105.19 101.96 2crk n GLY 118 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2crk n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2crk n ASP 119 N 0.00 0.08 -3.94 1.61 5.75 -1.26 -4.81 116.55 113.98 2crk n ASP 119 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 2crk n ASP 119 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 2crk n ASP 119 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2crk s ASP 120 N 1.04 4.57 0.64 -1.12 1.01 -1.26 -2.55 116.67 119.02 2crk s ASP 120 Ca 0.00 -3.32 -0.18 0.00 0.71 0.00 0.00 52.55 49.76 2crk s ASP 120 Cb 0.00 -1.66 -0.01 0.00 1.01 0.00 0.00 42.92 42.26 2crk s ASP 120 CO 0.00 -0.18 1.29 0.18 0.21 0.00 0.00 175.17 176.66 2crk n LEU 121 N 2.70 5.96 -4.56 1.23 4.77 0.48 -4.92 117.00 122.67 2crk n LEU 121 Ca 0.11 0.84 -0.45 0.00 -0.03 0.00 0.00 56.01 56.47 2crk n LEU 121 Cb 0.33 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 39.83 2crk n LEU 121 CO 0.32 -1.00 1.82 -0.67 -1.33 0.00 0.00 177.39 176.53 2crk n ASP 122 N -1.82 2.99 0.20 -1.43 -0.08 -1.26 -4.06 116.55 111.08 2crk n ASP 122 Ca 0.16 0.30 0.14 0.00 -1.51 0.00 0.00 54.79 53.87 2crk n ASP 122 Cb 0.48 -1.47 0.70 0.00 2.34 0.00 0.00 41.12 43.17 2crk n ASP 122 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2crk h PRO 123 N 14.08 0.00 0.00 -0.67 0.13 -1.92 0.43 132.00 144.06 2crk h PRO 123 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2crk h PRO 123 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2crk h PRO 123 CO 0.97 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 179.19 2crk h HIS 124 N 0.00 0.00 0.00 1.56 3.86 -2.01 -3.37 115.15 115.19 2crk h HIS 124 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2crk h HIS 124 Cb 0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2crk h HIS 124 CO 0.00 0.00 -1.25 0.66 0.86 0.00 0.00 177.93 178.20 2crk n TYR 125 N -2.74 0.00 -3.31 2.45 4.02 0.35 -4.82 117.16 113.10 2crk n TYR 125 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.50 2crk n TYR 125 Cb 0.48 -0.17 -0.08 0.00 -0.02 0.00 0.00 39.34 39.54 2crk n TYR 125 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2crk s VAL 126 N -2.09 5.09 0.02 -0.72 1.01 0.12 -0.08 120.40 123.75 2crk s VAL 126 Ca -0.04 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 2crk s VAL 126 Cb 0.01 -4.07 -0.26 0.00 0.00 0.00 0.00 36.38 32.06 2crk s VAL 126 CO 0.12 -0.48 1.08 -0.07 0.00 0.00 0.00 175.10 175.76 2crk h LEU 127 N 9.08 0.66 -7.60 3.92 3.38 -0.70 -3.38 115.31 120.67 2crk h LEU 127 Ca -0.27 -0.80 -0.13 0.00 0.09 0.00 0.00 57.88 56.78 2crk h LEU 127 Cb 1.11 -0.21 -0.20 0.00 0.09 0.00 0.00 40.66 41.45 2crk h LEU 127 CO 0.82 1.39 -0.36 -0.94 0.09 0.00 0.00 178.44 179.44 2crk s SER 128 N -7.02 -0.11 -0.03 -0.43 1.04 -1.24 0.10 113.70 106.02 2crk s SER 128 Ca -0.12 -0.03 0.07 0.00 0.48 0.00 0.00 55.95 56.35 2crk s SER 128 Cb 0.04 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 2crk s SER 128 CO 0.86 -0.42 -0.24 -0.44 0.98 0.00 0.00 173.24 173.98 2crk s SER 129 N -1.36 3.19 -0.25 7.02 0.01 0.23 -1.65 113.70 120.89 2crk s SER 129 Ca -0.14 -0.44 -0.22 0.00 1.31 0.00 0.00 55.95 56.47 2crk s SER 129 Cb -0.06 -0.46 0.07 0.00 0.21 0.00 0.00 66.02 65.77 2crk s SER 129 CO 0.03 0.32 0.65 -0.60 0.41 0.00 0.00 173.24 174.05 2crk s ARG 130 N -0.58 0.75 -0.12 12.44 3.52 0.18 -1.11 118.95 134.03 2crk s ARG 130 Ca 0.09 0.94 0.01 0.00 -0.13 0.00 0.00 55.73 56.64 2crk s ARG 130 Cb -0.10 0.34 0.02 0.00 -1.56 0.00 0.00 34.95 33.64 2crk s ARG 130 CO -0.00 -0.10 -0.15 0.08 -0.81 0.00 0.00 175.30 174.32 2crk s VAL 131 N 0.52 1.50 0.11 7.11 1.01 0.10 0.79 120.40 131.53 2crk s VAL 131 Ca -0.01 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2crk s VAL 131 Cb -0.05 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2crk s VAL 131 CO -0.02 0.44 -0.13 0.00 0.00 0.00 0.00 175.10 175.39 2crk s ARG 132 N 1.12 0.96 0.27 2.72 1.04 -0.87 -0.76 118.95 123.43 2crk s ARG 132 Ca -0.04 -1.17 -0.09 0.00 -1.04 0.00 0.00 55.73 53.39 2crk s ARG 132 Cb -0.14 -0.83 -0.00 0.00 -2.04 0.00 0.00 34.95 31.93 2crk s ARG 132 CO -0.04 0.16 0.45 -0.08 -0.04 0.00 0.00 175.30 175.76 2crk s THR 133 N -2.02 0.00 0.04 4.99 -1.32 -0.28 -1.13 115.64 115.91 2crk s THR 133 Ca 0.06 -1.50 0.05 0.00 -1.21 0.00 0.00 61.69 59.09 2crk s THR 133 Cb -0.06 -2.36 -0.02 0.00 -1.51 0.00 0.00 72.50 68.55 2crk s THR 133 CO 0.02 0.00 -0.13 -0.83 -2.21 0.00 0.00 174.62 171.47 2crk s GLY 134 N -3.08 0.75 0.07 6.08 0.00 -1.25 -1.65 107.32 108.24 2crk s GLY 134 Ca 0.26 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 44.22 2crk s GLY 134 CO 0.12 -0.77 -0.12 0.50 0.00 0.00 0.00 173.10 172.83 2crk s ARG 135 N -1.11 0.76 0.18 2.90 1.81 -0.02 -4.79 118.95 118.68 2crk s ARG 135 Ca 0.01 -0.96 0.10 0.00 -1.72 0.00 0.00 55.73 53.17 2crk s ARG 135 Cb -0.08 -0.65 -0.04 0.00 -0.45 0.00 0.00 34.95 33.73 2crk s ARG 135 CO 0.01 0.13 -0.19 -1.12 -0.68 0.00 0.00 175.30 173.45 2crk s SER 136 N -1.86 3.71 -0.20 0.23 0.01 -1.25 -1.50 113.70 112.83 2crk s SER 136 Ca -0.02 -0.74 -0.03 0.00 1.31 0.00 0.00 55.95 56.47 2crk s SER 136 Cb -0.08 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.72 2crk s SER 136 CO 0.01 0.13 -0.08 -0.63 0.41 0.00 0.00 173.24 173.08 2crk s ILE 137 N -1.58 3.11 0.14 1.44 1.01 -1.26 -1.09 121.20 122.97 2crk s ILE 137 Ca 0.21 -0.59 -0.32 0.00 0.00 0.00 0.00 60.65 59.96 2crk s ILE 137 Cb -0.09 -2.39 -0.11 0.00 0.01 0.00 0.00 42.46 39.88 2crk s ILE 137 CO 0.11 0.46 1.80 1.17 0.00 0.00 0.00 174.94 178.48 2crk n LYS 138 N 4.58 2.76 0.00 2.79 4.81 0.11 -3.09 118.16 130.12 2crk n LYS 138 Ca -0.19 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2crk n LYS 138 Cb 0.51 -2.88 0.00 0.00 0.02 0.00 0.00 35.03 32.68 2crk n LYS 138 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2crk n GLY 139 N 4.13 2.12 3.46 3.14 0.00 -1.26 -4.58 105.19 112.21 2crk n GLY 139 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2crk n GLY 139 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2crk s TYR 140 N -2.00 2.31 0.62 1.61 2.02 -1.18 -5.14 117.35 115.59 2crk s TYR 140 Ca 0.00 -0.33 -0.09 0.00 -0.37 0.00 0.00 57.07 56.28 2crk s TYR 140 Cb 0.00 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.51 2crk s TYR 140 CO 0.00 0.65 0.97 0.95 -1.57 0.00 0.00 175.55 176.55 2crk s THR 141 N -2.24 4.01 0.63 -0.71 -4.23 -1.26 -4.85 115.64 106.99 2crk s THR 141 Ca 0.27 0.36 -0.13 0.00 -1.18 0.00 0.00 61.69 61.01 2crk s THR 141 Cb -0.06 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 2crk s THR 141 CO 0.14 -0.72 1.04 -0.76 -0.54 0.00 0.00 174.62 173.78 2crk s LEU 142 N -5.11 3.34 0.52 4.79 1.43 0.23 -4.49 118.68 119.39 2crk s LEU 142 Ca 0.54 1.65 0.41 0.00 -1.03 0.00 0.00 54.13 55.71 2crk s LEU 142 Cb -0.11 -4.51 1.60 0.00 0.03 0.00 0.00 46.19 43.21 2crk s LEU 142 CO 0.49 -1.15 1.63 -0.65 0.23 0.00 0.00 176.35 176.90 2crk h PRO 143 N -0.04 0.03 0.00 1.29 0.11 -1.87 -0.24 132.00 131.28 2crk h PRO 143 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2crk h PRO 143 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2crk h PRO 143 CO 0.58 0.02 0.00 -0.35 -0.21 0.00 0.00 178.00 178.04 2crk n PRO 144 N -4.22 0.32 0.00 1.05 -0.04 -1.26 -3.97 135.00 126.87 2crk n PRO 144 Ca 0.39 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 2crk n PRO 144 Cb 1.69 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 2crk n PRO 144 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2crk n HIS 145 N -1.21 0.00 -1.64 0.54 -0.00 -0.17 -4.42 115.22 108.31 2crk n HIS 145 Ca 0.09 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 57.84 2crk n HIS 145 Cb 0.12 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.97 2crk n HIS 145 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2crk s SER 147 N -0.42 5.58 0.50 0.00 1.04 -1.26 -4.82 113.70 114.31 2crk s SER 147 Ca 0.58 0.87 0.16 0.00 0.48 0.00 0.00 55.95 58.03 2crk s SER 147 Cb -0.64 -1.81 1.21 0.00 0.10 0.00 0.00 66.02 64.87 2crk s SER 147 CO 0.61 -1.13 2.10 0.03 0.98 0.00 0.00 173.24 175.83 2crk h ARG 148 N -0.32 0.12 -0.23 4.02 3.08 -1.98 0.23 114.38 119.31 2crk h ARG 148 Ca -0.45 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.54 2crk h ARG 148 Cb 1.25 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 2crk h ARG 148 CO 0.62 0.08 -0.07 0.78 -1.07 0.00 0.00 179.97 180.31 2crk h GLY 149 N 0.12 0.49 0.88 0.04 0.00 -1.99 -0.96 103.07 101.65 2crk h GLY 149 Ca 0.08 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 2crk h GLY 149 CO -0.01 0.37 -0.02 0.83 0.00 0.00 0.00 176.54 177.71 2crk h GLU 150 N 0.18 0.54 -0.29 4.80 5.08 -1.50 -2.42 114.58 120.96 2crk h GLU 150 Ca 0.06 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2crk h GLU 150 Cb 0.54 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2crk h GLU 150 CO 0.03 0.70 0.09 -0.09 -1.00 0.00 0.00 179.01 178.73 2crk h ARG 151 N 0.32 0.20 -0.49 2.33 2.43 -0.58 -1.58 114.38 117.00 2crk h ARG 151 Ca 0.08 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2crk h ARG 151 Cb 0.48 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2crk h ARG 151 CO 0.02 0.13 0.33 0.00 -1.51 0.00 0.00 179.97 178.94 2crk h ARG 152 N 0.21 0.64 -0.47 0.20 3.08 -1.08 0.07 114.38 117.03 2crk h ARG 152 Ca 0.13 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 2crk h ARG 152 Cb 0.11 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2crk h ARG 152 CO -0.14 0.43 -0.16 0.00 -1.07 0.00 0.00 179.97 179.03 2crk h ALA 153 N 1.69 0.65 -0.21 0.04 0.00 -0.89 0.54 119.26 121.09 2crk h ALA 153 Ca 0.18 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2crk h ALA 153 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2crk h ALA 153 CO -0.04 0.59 -0.05 0.28 0.00 0.00 0.00 179.25 180.03 2crk h VAL 154 N 0.78 1.28 -0.55 0.00 2.07 -0.56 0.10 116.25 119.37 2crk h VAL 154 Ca 0.11 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 2crk h VAL 154 Cb 0.72 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 2crk h VAL 154 CO 0.05 0.31 0.30 -0.08 0.02 0.00 0.00 177.57 178.18 2crk h GLU 155 N 0.13 0.77 -0.29 1.57 4.81 -0.89 -0.31 114.58 120.36 2crk h GLU 155 Ca 0.05 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2crk h GLU 155 Cb 0.50 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2crk h GLU 155 CO 0.02 0.59 0.19 -0.22 -0.73 0.00 0.00 179.01 178.87 2crk h LYS 156 N 0.74 0.39 -0.65 1.92 3.64 0.33 -1.42 116.57 121.52 2crk h LYS 156 Ca 0.19 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2crk h LYS 156 Cb 0.04 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2crk h LYS 156 CO -0.03 0.26 0.16 1.25 -2.27 0.00 0.00 179.45 178.82 2crk h LEU 157 N 0.40 0.98 0.07 5.20 6.46 -0.50 -2.67 115.31 125.25 2crk h LEU 157 Ca 0.11 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2crk h LEU 157 Cb -0.05 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.63 2crk h LEU 157 CO -0.02 0.96 -0.04 0.28 -0.62 0.00 0.00 178.44 179.00 2crk h SER 158 N 0.96 -0.08 -0.96 1.25 0.02 -0.79 -2.76 113.55 111.19 2crk h SER 158 Ca 0.20 -0.29 0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2crk h SER 158 Cb 0.36 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.85 2crk h SER 158 CO 0.00 0.25 0.62 0.58 -1.14 0.00 0.00 176.83 177.14 2crk h VAL 159 N -0.43 1.05 0.00 2.27 2.07 -1.29 0.13 116.25 120.05 2crk h VAL 159 Ca -0.01 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 2crk h VAL 159 Cb 0.37 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 2crk h VAL 159 CO 0.02 0.20 -0.53 -0.33 0.02 0.00 0.00 177.57 176.95 2crk h GLU 160 N 1.07 0.00 0.05 1.57 5.08 -1.47 0.16 114.58 121.05 2crk h GLU 160 Ca 0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2crk h GLU 160 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2crk h GLU 160 CO -0.17 0.53 -0.03 0.00 -1.00 0.00 0.00 179.01 178.34 2crk h ALA 161 N 1.47 -0.07 -0.50 3.43 0.00 -0.94 -3.14 119.26 119.51 2crk h ALA 161 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2crk h ALA 161 Cb 0.95 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2crk h ALA 161 CO 0.07 -0.22 0.33 -0.07 0.00 0.00 0.00 179.25 179.35 2crk h LEU 162 N -0.71 0.56 -2.71 0.00 3.38 -0.75 -2.49 115.31 112.60 2crk h LEU 162 Ca -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2crk h LEU 162 Cb 0.60 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2crk h LEU 162 CO 0.01 0.40 -0.01 0.78 0.09 0.00 0.00 178.44 179.72 2crk h ASN 163 N 0.67 0.00 1.16 -0.43 -0.26 -1.04 -1.45 115.58 114.23 2crk h ASN 163 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 2crk h ASN 163 Cb -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 2crk h ASN 163 CO -0.05 0.01 -0.73 0.77 -1.06 0.00 0.00 177.43 176.36 2crk h SER 164 N 0.00 0.00 -4.06 5.81 4.64 -1.39 -3.47 113.55 115.07 2crk h SER 164 Ca -0.00 -0.04 -0.55 0.00 -0.47 0.00 0.00 61.79 60.73 2crk h SER 164 Cb 0.04 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.28 2crk h SER 164 CO 0.00 0.02 0.60 -0.76 -0.87 0.00 0.00 176.83 175.82 2crk s LEU 165 N -5.29 3.78 0.22 5.97 1.43 -0.55 -5.02 118.68 119.23 2crk s LEU 165 Ca 0.02 2.76 0.01 0.00 -1.03 0.00 0.00 54.13 55.90 2crk s LEU 165 Cb 0.09 -4.35 -0.05 0.00 0.03 0.00 0.00 46.19 41.92 2crk s LEU 165 CO 0.75 -1.70 0.08 0.42 0.23 0.00 0.00 176.35 176.13 2crk s THR 166 N -1.31 0.47 0.00 5.49 -4.23 -1.26 -4.28 115.64 110.53 2crk s THR 166 Ca 0.74 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2crk s THR 166 Cb -0.41 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2crk s THR 166 CO 0.47 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 2crk n GLY 167 N -0.37 2.52 0.26 3.99 0.00 -1.26 -2.86 105.19 107.48 2crk n GLY 167 Ca -0.01 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.76 2crk n GLY 167 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2crk h GLU 168 N 0.00 0.00 -0.67 1.61 4.81 -2.05 -2.16 114.58 116.12 2crk h GLU 168 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2crk h GLU 168 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2crk h GLU 168 CO 0.00 0.04 0.00 1.19 -0.73 0.00 0.00 179.01 179.51 2crk n PHE 169 N -4.27 1.09 -2.35 0.92 3.72 -1.13 -4.69 117.46 110.75 2crk n PHE 169 Ca -0.03 -0.49 -0.38 0.00 -0.05 0.00 0.00 57.45 56.50 2crk n PHE 169 Cb 0.13 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 2crk n PHE 169 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2crk s LYS 170 N -1.37 4.06 0.00 -1.08 2.20 -0.82 -4.21 119.74 118.52 2crk s LYS 170 Ca 0.46 1.75 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 2crk s LYS 170 Cb 0.26 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 2crk s LYS 170 CO 0.28 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2crk n GLY 171 N 0.56 3.22 3.43 5.54 0.00 -1.26 -0.42 105.19 116.27 2crk n GLY 171 Ca 0.05 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 2crk n GLY 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2crk s LYS 172 N 1.48 0.89 -0.10 1.61 2.20 -0.68 -4.85 119.74 120.29 2crk s LYS 172 Ca 0.00 0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 55.76 2crk s LYS 172 Cb 0.00 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 2crk s LYS 172 CO 0.00 -0.25 0.11 -0.47 -0.36 0.00 0.00 175.35 174.38 2crk s TYR 173 N -1.03 3.49 -0.30 4.03 5.04 -1.26 -2.67 117.35 124.64 2crk s TYR 173 Ca -0.10 0.43 0.01 0.00 -2.44 0.00 0.00 57.07 54.96 2crk s TYR 173 Cb -0.02 -1.89 0.09 0.00 0.35 0.00 0.00 41.96 40.50 2crk s TYR 173 CO 0.07 0.67 0.07 0.71 -1.34 0.00 0.00 175.55 175.72 2crk s TYR 174 N -1.04 2.31 0.43 4.97 2.02 0.50 -4.97 117.35 121.57 2crk s TYR 174 Ca 0.16 -2.04 -0.24 0.00 -0.37 0.00 0.00 57.07 54.58 2crk s TYR 174 Cb -0.12 -2.00 -0.08 0.00 -0.40 0.00 0.00 41.96 39.37 2crk s TYR 174 CO 0.06 -0.87 1.19 -2.14 -1.57 0.00 0.00 175.55 172.21 2crk s PRO 175 N 1.41 3.89 0.15 -1.71 0.02 -1.26 0.22 135.00 137.72 2crk s PRO 175 Ca 0.08 1.87 -0.05 0.00 0.02 0.00 0.00 61.00 62.92 2crk s PRO 175 Cb -0.18 -2.56 -0.01 0.00 0.02 0.00 0.00 34.50 31.77 2crk s PRO 175 CO -0.18 -0.47 1.39 -0.07 -0.33 0.00 0.00 177.00 177.35 2crk h LEU 176 N 2.36 0.62 -0.70 -5.54 3.38 -1.83 -3.31 115.31 110.28 2crk h LEU 176 Ca -0.49 -0.41 0.10 0.00 0.09 0.00 0.00 57.88 57.17 2crk h LEU 176 Cb 1.24 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 2crk h LEU 176 CO 0.61 1.17 0.34 0.50 0.09 0.00 0.00 178.44 181.15 2crk h LYS 177 N 0.35 0.55 -0.67 1.13 3.11 -1.83 -3.00 116.57 116.22 2crk h LYS 177 Ca -0.04 -0.03 -0.45 0.00 -2.81 0.00 0.00 60.65 57.31 2crk h LYS 177 Cb 1.34 -0.12 -0.29 0.00 -1.00 0.00 0.00 32.23 32.16 2crk h LYS 177 CO 0.14 0.37 -0.17 -1.13 -2.81 0.00 0.00 179.45 175.84 2crk n SER 178 N -4.89 4.71 -4.71 4.20 3.41 -1.26 -5.03 113.62 110.06 2crk n SER 178 Ca 0.11 -3.78 -0.42 0.00 -0.26 0.00 0.00 58.87 54.52 2crk n SER 178 Cb 0.28 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 2crk n SER 178 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2crk s MET 179 N -3.54 4.55 0.52 4.33 1.75 -1.14 -4.98 119.30 120.80 2crk s MET 179 Ca 0.52 1.41 -0.15 0.00 -1.25 0.00 0.00 55.69 56.23 2crk s MET 179 Cb 0.43 -3.46 -0.07 0.00 2.84 0.00 0.00 34.83 34.57 2crk s MET 179 CO 0.01 -0.06 0.97 0.95 -0.65 0.00 0.00 175.02 176.24 2crk s THR 180 N 1.06 4.59 0.37 10.11 -4.23 -1.26 -4.88 115.64 121.40 2crk s THR 180 Ca 0.52 1.10 0.09 0.00 -1.18 0.00 0.00 61.69 62.22 2crk s THR 180 Cb -0.21 -3.75 0.32 0.00 1.34 0.00 0.00 72.50 70.20 2crk s THR 180 CO 0.27 -0.76 1.91 -0.33 -0.54 0.00 0.00 174.62 175.17 2crk h GLU 181 N 0.71 0.63 -0.38 3.99 4.39 -1.98 0.72 114.58 122.67 2crk h GLU 181 Ca -0.46 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.04 2crk h GLU 181 Cb 1.19 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2crk h GLU 181 CO 0.62 0.42 -0.39 0.37 -1.16 0.00 0.00 179.01 178.87 2crk h GLN 182 N 0.65 0.92 -0.18 2.33 -0.00 -1.99 0.10 115.11 116.94 2crk h GLN 182 Ca 0.39 -0.48 -0.12 0.00 -0.00 0.00 0.00 58.65 58.44 2crk h GLN 182 Cb 0.60 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.08 2crk h GLN 182 CO -0.15 1.13 -0.39 0.93 0.00 0.00 0.00 178.83 180.35 2crk h GLU 183 N 0.75 0.40 0.22 1.69 5.08 -1.61 -2.89 114.58 118.21 2crk h GLU 183 Ca 0.06 -0.19 -0.32 0.00 -1.00 0.00 0.00 59.36 57.91 2crk h GLU 183 Cb 0.98 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.26 2crk h GLU 183 CO 0.09 0.73 -1.42 0.37 -1.00 0.00 0.00 179.01 177.79 2crk h GLN 184 N 0.33 0.48 -0.58 2.33 4.15 -0.71 -2.96 115.11 118.15 2crk h GLN 184 Ca 0.03 -0.81 -0.09 0.00 0.77 0.00 0.00 58.65 58.56 2crk h GLN 184 Cb 0.83 0.30 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 2crk h GLN 184 CO 0.07 1.39 0.02 0.37 -1.93 0.00 0.00 178.83 178.75 2crk h GLN 185 N 0.13 0.99 0.16 1.69 -0.00 -0.85 -0.97 115.11 116.26 2crk h GLN 185 Ca -0.22 -0.29 0.01 0.00 -0.00 0.00 0.00 58.65 58.15 2crk h GLN 185 Cb 2.12 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 29.47 2crk h GLN 185 CO 0.26 0.96 -0.23 1.96 0.00 0.00 0.00 178.83 181.77 2crk h GLN 186 N 0.91 -0.44 0.00 1.69 1.08 -1.60 0.44 115.11 117.19 2crk h GLN 186 Ca 0.17 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2crk h GLN 186 Cb 0.50 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2crk h GLN 186 CO 0.02 -0.29 -0.08 -0.07 -0.95 0.00 0.00 178.83 177.46 2crk h LEU 187 N -0.46 0.00 -0.10 1.46 3.38 -1.33 -0.12 115.31 118.15 2crk h LEU 187 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2crk h LEU 187 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2crk h LEU 187 CO -0.10 0.08 -0.30 0.40 0.09 0.00 0.00 178.44 178.61 2crk h ILE 188 N 0.00 1.40 -0.35 1.22 2.04 -0.21 -1.27 117.51 120.34 2crk h ILE 188 Ca -0.00 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 2crk h ILE 188 Cb 0.18 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 2crk h ILE 188 CO 0.01 0.48 0.02 -0.90 0.00 0.00 0.00 178.15 177.76 2crk n ASP 189 N -4.43 3.76 -0.00 1.72 5.68 0.05 -2.74 116.55 120.59 2crk n ASP 189 Ca -0.08 -2.57 0.02 0.00 -0.50 0.00 0.00 54.79 51.67 2crk n ASP 189 Cb 0.48 -0.62 -0.03 0.00 -1.14 0.00 0.00 41.12 39.81 2crk n ASP 189 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2crk n ASP 190 N 0.32 2.01 -1.06 -1.12 8.00 -0.14 -5.00 116.55 119.56 2crk n ASP 190 Ca 0.17 -0.31 -0.10 0.00 0.71 0.00 0.00 54.79 55.26 2crk n ASP 190 Cb 0.83 1.11 -0.01 0.00 -0.02 0.00 0.00 41.12 43.03 2crk n ASP 190 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2crk n HIS 191 N -1.39 -0.36 0.72 1.24 8.25 -0.70 -4.93 115.22 118.05 2crk n HIS 191 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 2crk n HIS 191 Cb 0.10 -2.31 -0.12 0.00 1.12 0.00 0.00 29.99 28.78 2crk n HIS 191 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2crk n PHE 192 N -3.67 0.00 -2.99 4.41 3.72 -0.56 -5.02 117.46 113.34 2crk n PHE 192 Ca -0.12 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.93 2crk n PHE 192 Cb 0.52 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.90 2crk n PHE 192 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2crk s LEU 193 N -3.28 4.30 0.07 4.37 2.96 -1.05 -5.00 118.68 121.06 2crk s LEU 193 Ca 0.04 1.55 0.02 0.00 -0.22 0.00 0.00 54.13 55.52 2crk s LEU 193 Cb 0.15 -3.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 2crk s LEU 193 CO 0.82 -0.03 -0.07 0.72 -1.32 0.00 0.00 176.35 176.47 2crk s PHE 194 N -1.61 0.77 0.28 5.38 -0.12 -1.26 -5.02 117.98 116.40 2crk s PHE 194 Ca 0.47 -0.70 0.06 0.00 -0.05 0.00 0.00 56.93 56.70 2crk s PHE 194 Cb -0.16 -0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 41.75 2crk s PHE 194 CO 0.21 -0.12 0.21 -0.40 -0.05 0.00 0.00 175.22 175.07 2crk n ASP 195 N 0.73 -0.25 -4.62 1.98 5.75 -1.26 -5.09 116.55 113.79 2crk n ASP 195 Ca -0.18 -2.78 -0.50 0.00 -0.01 0.00 0.00 54.79 51.32 2crk n ASP 195 Cb 0.58 1.27 -0.05 0.00 -1.03 0.00 0.00 41.12 41.88 2crk n ASP 195 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2crk n LYS 196 N -0.56 1.53 -1.71 0.11 4.81 -1.26 -4.85 118.16 116.22 2crk n LYS 196 Ca 0.04 0.55 -0.43 0.00 -0.87 0.00 0.00 58.31 57.60 2crk n LYS 196 Cb 0.49 -2.24 -0.03 0.00 0.02 0.00 0.00 35.03 33.28 2crk n LYS 196 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2crk n PRO 197 N 2.85 2.55 -0.00 1.64 -0.02 -1.26 -4.92 135.00 135.83 2crk n PRO 197 Ca 0.18 0.91 0.08 0.00 -2.02 0.00 0.00 63.50 62.65 2crk n PRO 197 Cb 0.23 -2.70 -0.11 0.00 -0.02 0.00 0.00 33.50 30.90 2crk n PRO 197 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2crk n VAL 198 N 2.90 0.00 -2.07 -1.45 0.24 -1.26 -4.83 118.33 111.86 2crk n VAL 198 Ca 0.13 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 2crk n VAL 198 Cb 0.34 0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 33.31 2crk n VAL 198 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2crk s SER 199 N -3.17 6.72 0.53 -1.34 0.15 -1.26 -4.89 113.70 110.43 2crk s SER 199 Ca 0.01 2.48 0.31 0.00 0.70 0.00 0.00 55.95 59.45 2crk s SER 199 Cb 0.12 -2.59 1.30 0.00 -1.71 0.00 0.00 66.02 63.13 2crk s SER 199 CO 0.70 -0.71 1.96 -0.65 1.20 0.00 0.00 173.24 175.74 2crk h PRO 200 N 6.51 0.00 -0.01 5.44 0.11 -1.97 0.27 132.00 142.36 2crk h PRO 200 Ca -0.43 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.51 2crk h PRO 200 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2crk h PRO 200 CO 0.87 0.06 -0.80 -0.07 -0.21 0.00 0.00 178.00 177.85 2crk h LEU 201 N 0.00 0.15 0.11 2.35 3.38 -1.91 -1.91 115.31 117.48 2crk h LEU 201 Ca -0.00 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 2crk h LEU 201 Cb 0.54 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2crk h LEU 201 CO 0.01 0.88 -0.87 -0.07 0.09 0.00 0.00 178.44 178.48 2crk h LEU 202 N 0.07 0.38 -0.81 1.67 4.07 -1.83 -3.35 115.31 115.51 2crk h LEU 202 Ca -0.02 -0.92 -0.08 0.00 0.08 0.00 0.00 57.88 56.93 2crk h LEU 202 Cb 1.40 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.99 2crk h LEU 202 CO 0.11 1.40 0.01 -0.07 -1.08 0.00 0.00 178.44 178.81 2crk h LEU 203 N -0.45 0.87 -1.52 1.67 3.38 -0.99 -3.15 115.31 115.13 2crk h LEU 203 Ca -0.17 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2crk h LEU 203 Cb 1.59 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2crk h LEU 203 CO 0.10 0.93 0.00 0.00 0.09 0.00 0.00 178.44 179.56 2crk h ALA 204 N 1.16 1.00 -0.10 1.53 0.00 -1.49 -2.66 119.26 118.70 2crk h ALA 204 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2crk h ALA 204 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2crk h ALA 204 CO 0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 2crk n SER 205 N -2.73 1.81 -0.21 0.00 3.41 -1.19 -4.18 113.62 110.53 2crk n SER 205 Ca 0.00 -1.66 -0.03 0.00 -0.26 0.00 0.00 58.87 56.93 2crk n SER 205 Cb 0.21 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.09 2crk n SER 205 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crk n GLY 206 N 1.19 0.58 0.00 5.00 0.00 -1.00 -4.55 105.19 106.41 2crk n GLY 206 Ca 0.17 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.91 2crk n GLY 206 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2crk n MET 207 N -2.41 0.12 0.00 1.61 -0.00 -1.25 -3.62 117.12 111.57 2crk n MET 207 Ca -0.03 0.05 0.14 0.00 -0.00 0.00 0.00 57.70 57.86 2crk n MET 207 Cb 0.15 -1.50 0.50 0.00 -0.00 0.00 0.00 33.22 32.37 2crk n MET 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2crk n ALA 208 N -1.43 2.62 -1.68 3.17 0.00 -1.26 -4.85 120.51 117.08 2crk n ALA 208 Ca 0.08 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 2crk n ALA 208 Cb 0.28 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 18.59 2crk n ALA 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2crk n ARG 209 N 0.14 1.67 -1.20 0.00 1.74 -1.24 -3.18 116.66 114.60 2crk n ARG 209 Ca 0.18 0.60 -0.07 0.00 -0.77 0.00 0.00 57.85 57.80 2crk n ARG 209 Cb 0.36 -2.30 -0.03 0.00 -1.02 0.00 0.00 32.46 29.47 2crk n ARG 209 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2crk n ASP 210 N 0.08 -5.16 -4.67 0.55 8.00 -1.26 -4.89 116.55 109.20 2crk n ASP 210 Ca 0.08 0.17 -0.45 0.00 0.71 0.00 0.00 54.79 55.30 2crk n ASP 210 Cb 0.41 -3.25 -0.03 0.00 -0.02 0.00 0.00 41.12 38.22 2crk n ASP 210 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2crk n TRP 211 N -2.36 2.26 -1.34 1.24 -0.00 -1.19 -0.15 117.44 115.91 2crk n TRP 211 Ca -0.07 0.33 -0.28 0.00 -0.00 0.00 0.00 57.50 57.48 2crk n TRP 211 Cb 0.45 -2.51 0.12 0.00 -0.00 0.00 0.00 31.31 29.36 2crk n TRP 211 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2crk n PRO 212 N 2.81 2.51 -1.67 5.87 -0.04 -1.26 -5.12 135.00 138.10 2crk n PRO 212 Ca 0.14 -3.23 -0.46 0.00 -0.04 0.00 0.00 63.50 59.91 2crk n PRO 212 Cb 0.30 -2.21 -0.04 0.00 -0.04 0.00 0.00 33.50 31.51 2crk n PRO 212 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2crk n ASP 213 N -1.01 3.11 0.00 3.54 -0.08 0.79 -1.72 116.55 121.19 2crk n ASP 213 Ca 0.59 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.95 2crk n ASP 213 Cb 1.09 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 43.12 2crk n ASP 213 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2crk n ALA 214 N 3.47 0.00 -2.06 -1.67 0.00 -1.26 -4.96 120.51 114.03 2crk n ALA 214 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.33 2crk n ALA 214 Cb 0.29 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.60 2crk n ALA 214 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2crk s ARG 215 N -1.35 3.03 -0.10 0.00 3.00 -0.70 -4.62 118.95 118.21 2crk s ARG 215 Ca 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 55.73 55.56 2crk s ARG 215 Cb 0.00 -2.23 0.12 0.00 0.00 0.00 0.00 34.95 32.84 2crk s ARG 215 CO 0.00 -0.69 1.40 0.20 0.00 0.00 0.00 175.30 176.21 2crk s GLY 216 N -4.28 -0.32 -0.03 -3.53 0.00 -1.00 -3.21 107.32 94.94 2crk s GLY 216 Ca 0.54 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.71 2crk s GLY 216 CO 0.47 4.52 0.01 -0.42 0.00 0.00 0.00 173.10 177.67 2crk s ILE 217 N -2.01 0.14 0.01 0.90 1.01 0.13 -1.79 121.20 119.59 2crk s ILE 217 Ca 0.26 0.13 0.06 0.00 0.00 0.00 0.00 60.65 61.10 2crk s ILE 217 Cb 0.03 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 2crk s ILE 217 CO -0.04 0.15 -0.20 0.86 0.00 0.00 0.00 174.94 175.71 2crk s TRP 218 N 1.17 1.76 -0.04 3.97 -0.00 -0.13 0.19 118.94 125.86 2crk s TRP 218 Ca -0.08 -0.35 -0.21 0.00 -0.00 0.00 0.00 56.10 55.47 2crk s TRP 218 Cb -0.13 -1.10 0.04 0.00 -0.00 0.00 0.00 33.47 32.28 2crk s TRP 218 CO -0.02 0.02 0.46 -3.38 -0.00 0.00 0.00 176.95 174.02 2crk s HIS 219 N -0.60 -0.38 0.86 5.86 -3.43 -1.09 -0.74 115.29 115.77 2crk s HIS 219 Ca 0.07 0.65 -0.12 0.00 -0.80 0.00 0.00 55.06 54.87 2crk s HIS 219 Cb -0.08 0.22 0.11 0.00 -1.43 0.00 0.00 32.58 31.39 2crk s HIS 219 CO 0.00 -0.46 1.10 0.54 -2.00 0.00 0.00 174.74 173.93 2crk s ASN 220 N -1.16 3.92 0.47 7.38 4.22 -0.60 -1.69 114.94 127.48 2crk s ASN 220 Ca -0.12 1.26 0.12 0.00 -2.14 0.00 0.00 52.86 51.99 2crk s ASN 220 Cb -0.03 -1.94 1.09 0.00 1.28 0.00 0.00 41.25 41.64 2crk s ASN 220 CO 0.06 -2.33 2.11 0.44 -2.04 0.00 0.00 177.10 175.34 2crk h ASP 221 N -1.34 0.21 1.08 3.54 3.32 -1.01 -1.78 116.42 120.44 2crk h ASP 221 Ca -0.49 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2crk h ASP 221 Cb 1.29 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2crk h ASP 221 CO 0.59 0.15 0.00 0.59 -1.72 0.00 0.00 179.24 178.85 2crk n ASN 222 N -4.51 0.40 -2.01 6.45 3.02 -1.26 -4.90 115.26 112.45 2crk n ASN 222 Ca -0.00 0.55 -0.19 0.00 -0.03 0.00 0.00 54.58 54.91 2crk n ASN 222 Cb 0.08 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 38.57 2crk n ASN 222 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2crk n LYS 223 N -1.90 -1.46 0.00 3.52 5.02 -0.67 -4.86 118.16 117.82 2crk n LYS 223 Ca 0.05 0.95 0.08 0.00 -2.02 0.00 0.00 58.31 57.37 2crk n LYS 223 Cb 0.34 -5.45 -0.00 0.00 -0.02 0.00 0.00 35.03 29.90 2crk n LYS 223 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2crk n SER 224 N -1.47 1.61 -3.78 4.39 3.41 -1.26 -4.89 113.62 111.63 2crk n SER 224 Ca -0.22 -1.30 -0.14 0.00 -0.26 0.00 0.00 58.87 56.95 2crk n SER 224 Cb 0.66 0.47 -0.15 0.00 -0.26 0.00 0.00 64.21 64.93 2crk n SER 224 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2crk s PHE 225 N -1.88 -0.07 -0.01 7.33 5.36 -1.26 -2.19 117.98 125.26 2crk s PHE 225 Ca 0.13 0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.40 2crk s PHE 225 Cb 0.13 -0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.68 2crk s PHE 225 CO 0.40 -0.11 -0.03 -1.17 -1.46 0.00 0.00 175.22 172.85 2crk s LEU 226 N 0.92 1.93 -0.04 6.12 0.20 -0.01 -1.55 118.68 126.24 2crk s LEU 226 Ca -0.07 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.70 2crk s LEU 226 Cb -0.10 -0.19 0.02 0.00 -0.43 0.00 0.00 46.19 45.49 2crk s LEU 226 CO -0.04 0.03 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.31 2crk s VAL 227 N 0.02 0.59 -0.18 1.68 1.01 0.08 -0.44 120.40 123.16 2crk s VAL 227 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 2crk s VAL 227 Cb -0.03 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 2crk s VAL 227 CO -0.00 0.22 0.02 0.26 0.00 0.00 0.00 175.10 175.60 2crk s TRP 228 N 0.65 3.12 -0.14 5.22 0.52 -0.15 -0.96 118.94 127.20 2crk s TRP 228 Ca -0.09 -0.18 -0.01 0.00 0.02 0.00 0.00 56.10 55.85 2crk s TRP 228 Cb -0.12 -2.05 -0.01 0.00 -1.15 0.00 0.00 33.47 30.13 2crk s TRP 228 CO 0.00 -0.02 -0.12 0.14 0.02 0.00 0.00 176.95 176.98 2crk s VAL 229 N 0.59 3.07 -0.66 4.03 -7.23 -0.74 -2.38 120.40 117.08 2crk s VAL 229 Ca 0.01 -0.65 -0.03 0.00 -1.81 0.00 0.00 61.98 59.50 2crk s VAL 229 Cb -0.14 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2crk s VAL 229 CO 0.02 0.51 0.43 0.59 -0.31 0.00 0.00 175.10 176.35 2crk n ASN 230 N 3.71 -3.86 0.00 4.85 3.02 0.29 -2.38 115.26 120.90 2crk n ASN 230 Ca -0.18 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 2crk n ASN 230 Cb 0.52 -2.56 0.00 0.00 -0.61 0.00 0.00 39.78 37.13 2crk n ASN 230 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2crk n GLU 231 N -2.43 0.00 -0.02 3.52 0.00 -1.26 -4.78 120.64 115.66 2crk n GLU 231 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.07 2crk n GLU 231 Cb 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.85 2crk n GLU 231 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2crk n GLU 232 N 0.00 0.63 -4.20 5.31 2.13 -1.26 -4.94 120.64 118.30 2crk n GLU 232 Ca 0.00 0.26 -0.12 0.00 0.66 0.00 0.00 57.16 57.96 2crk n GLU 232 Cb 0.00 -1.77 -0.10 0.00 0.27 0.00 0.00 31.44 29.84 2crk n GLU 232 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2crk s ASP 233 N -5.98 0.41 0.15 4.31 1.01 -1.26 -4.67 116.67 110.63 2crk s ASP 233 Ca -0.05 -1.32 -0.24 0.00 0.71 0.00 0.00 52.55 51.64 2crk s ASP 233 Cb 0.08 0.31 0.02 0.00 1.01 0.00 0.00 42.92 44.34 2crk s ASP 233 CO 0.82 -0.78 1.60 0.45 0.21 0.00 0.00 175.17 177.48 2crk h HIS 234 N 2.66 -0.93 -4.00 4.23 3.86 -1.92 -3.31 115.15 115.74 2crk h HIS 234 Ca -0.36 0.05 -0.47 0.00 -1.16 0.00 0.00 60.37 58.43 2crk h HIS 234 Cb 1.23 0.45 -0.23 0.00 1.06 0.00 0.00 27.41 29.92 2crk h HIS 234 CO 0.40 -0.39 -0.80 -0.51 0.86 0.00 0.00 177.93 177.49 2crk s LEU 235 N -10.51 2.23 -0.11 2.43 1.43 -0.56 -0.55 118.68 113.04 2crk s LEU 235 Ca -0.15 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.37 2crk s LEU 235 Cb 0.12 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.72 2crk s LEU 235 CO 0.67 0.01 -0.01 -0.60 0.23 0.00 0.00 176.35 176.65 2crk s ARG 236 N -1.50 0.82 -0.06 1.70 3.52 -1.00 -0.84 118.95 121.59 2crk s ARG 236 Ca 0.02 -0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.57 2crk s ARG 236 Cb -0.09 -1.35 -0.02 0.00 -1.56 0.00 0.00 34.95 31.93 2crk s ARG 236 CO 0.02 -0.37 -0.16 0.54 -0.81 0.00 0.00 175.30 174.52 2crk s VAL 237 N 1.89 2.86 -0.01 7.11 0.11 -0.66 -0.98 120.40 130.73 2crk s VAL 237 Ca 0.04 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 2crk s VAL 237 Cb -0.13 -2.12 0.01 0.00 -1.53 0.00 0.00 36.38 32.61 2crk s VAL 237 CO -0.06 0.58 0.00 -0.63 -3.33 0.00 0.00 175.10 171.66 2crk s ILE 238 N -0.51 0.05 -0.13 7.04 1.01 0.42 -1.13 121.20 127.94 2crk s ILE 238 Ca 0.07 0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.79 2crk s ILE 238 Cb -0.12 -0.10 0.00 0.00 0.01 0.00 0.00 42.46 42.25 2crk s ILE 238 CO 0.01 0.06 -0.20 -0.55 0.00 0.00 0.00 174.94 174.27 2crk s SER 239 N 0.45 3.35 0.23 3.58 0.15 0.06 -0.83 113.70 120.68 2crk s SER 239 Ca -0.04 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.08 2crk s SER 239 Cb -0.06 -1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 62.72 2crk s SER 239 CO -0.01 0.11 0.12 0.00 1.20 0.00 0.00 173.24 174.66 2crk s MET 240 N 0.67 1.30 -0.12 5.44 0.00 -0.93 -0.72 119.30 124.93 2crk s MET 240 Ca -0.09 -1.69 -0.30 0.00 0.00 0.00 0.00 55.69 53.60 2crk s MET 240 Cb -0.16 0.07 0.12 0.00 0.00 0.00 0.00 34.83 34.86 2crk s MET 240 CO 0.02 -0.36 0.96 -2.00 0.00 0.00 0.00 175.02 173.63 2crk s GLU 241 N -4.09 0.67 0.11 3.16 2.12 -0.27 -4.66 118.70 115.73 2crk s GLU 241 Ca 0.39 0.05 -0.27 0.00 0.36 0.00 0.00 54.97 55.50 2crk s GLU 241 Cb 0.07 0.31 -0.06 0.00 0.26 0.00 0.00 34.13 34.71 2crk s GLU 241 CO 0.13 -0.23 0.83 0.15 -0.54 0.00 0.00 175.26 175.60 2crk s LYS 242 N -1.60 4.59 0.00 4.30 -0.14 -1.26 -0.60 119.74 125.03 2crk s LYS 242 Ca -0.01 1.21 0.00 0.00 -1.36 0.00 0.00 55.97 55.82 2crk s LYS 242 Cb -0.01 -3.33 0.00 0.00 -1.68 0.00 0.00 37.83 32.81 2crk s LYS 242 CO -0.00 0.36 0.00 0.41 -0.76 0.00 0.00 175.35 175.35 2crk n GLY 243 N 2.09 -0.71 0.27 -3.33 0.00 0.29 -4.74 105.19 99.06 2crk n GLY 243 Ca -0.02 -2.16 0.09 0.00 0.00 0.00 0.00 46.02 43.93 2crk n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crk n GLY 244 N 0.00 4.56 3.44 -0.02 0.00 -1.26 -1.91 105.19 109.99 2crk n GLY 244 Ca 0.00 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2crk n GLY 244 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2crk n ASN 245 N -1.14 5.04 0.22 1.61 4.05 -1.26 -0.38 115.26 123.39 2crk n ASN 245 Ca 0.16 -2.96 0.05 0.00 0.45 0.00 0.00 54.58 52.29 2crk n ASN 245 Cb 0.67 -1.64 0.50 0.00 1.23 0.00 0.00 39.78 40.54 2crk n ASN 245 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 2crk h MET 246 N 7.16 0.00 -0.26 1.20 1.85 -1.83 -2.35 114.93 120.70 2crk h MET 246 Ca 0.39 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.46 2crk h MET 246 Cb 0.84 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.86 2crk h MET 246 CO 1.39 0.20 0.11 -0.22 -0.40 0.00 0.00 176.91 177.98 2crk h LYS 247 N 0.00 0.38 -0.17 0.39 1.63 -1.80 -1.75 116.57 115.25 2crk h LYS 247 Ca -0.00 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.62 2crk h LYS 247 Cb 0.36 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2crk h LYS 247 CO 0.03 0.41 -0.36 0.93 -3.45 0.00 0.00 179.45 177.01 2crk h GLU 248 N 0.27 0.36 -0.30 1.90 4.39 -1.78 0.31 114.58 119.73 2crk h GLU 248 Ca 0.09 -0.16 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 2crk h GLU 248 Cb 0.17 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2crk h GLU 248 CO -0.01 0.68 -0.41 0.28 -1.16 0.00 0.00 179.01 178.39 2crk h VAL 249 N 0.31 1.29 -0.16 3.13 2.07 -1.27 -1.03 116.25 120.58 2crk h VAL 249 Ca 0.03 -1.59 -0.18 0.00 0.82 0.00 0.00 66.70 65.78 2crk h VAL 249 Cb 0.78 1.50 0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2crk h VAL 249 CO 0.06 0.51 -0.62 0.15 0.02 0.00 0.00 177.57 177.70 2crk h PHE 250 N 0.59 0.94 -0.28 1.57 3.57 -1.05 -1.89 116.94 120.39 2crk h PHE 250 Ca 0.05 -0.39 -0.01 0.00 3.53 0.00 0.00 57.97 61.14 2crk h PHE 250 Cb 0.96 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2crk h PHE 250 CO 0.05 1.20 0.12 -0.09 -2.23 0.00 0.00 178.31 177.36 2crk h ARG 251 N 0.40 0.40 -0.42 1.11 1.12 -0.85 0.18 114.38 116.32 2crk h ARG 251 Ca -0.03 -0.07 0.03 0.00 -1.11 0.00 0.00 59.98 58.80 2crk h ARG 251 Cb 1.25 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 31.11 2crk h ARG 251 CO 0.13 0.41 0.23 -0.09 -3.11 0.00 0.00 179.97 177.54 2crk h ARG 252 N 0.30 0.45 -0.15 0.20 2.43 -1.19 -1.24 114.38 115.19 2crk h ARG 252 Ca 0.09 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2crk h ARG 252 Cb 0.15 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2crk h ARG 252 CO -0.01 0.30 -0.18 0.35 -1.51 0.00 0.00 179.97 178.92 2crk h PHE 253 N 0.46 -0.47 -0.49 2.20 3.57 -1.01 0.33 116.94 121.52 2crk h PHE 253 Ca 0.17 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 2crk h PHE 253 Cb 0.05 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2crk h PHE 253 CO -0.08 -0.26 0.11 0.00 -2.23 0.00 0.00 178.31 175.85 2crk h VAL 255 N 0.68 1.28 -0.18 0.00 2.07 -1.14 -2.41 116.25 116.54 2crk h VAL 255 Ca 0.15 -1.60 -0.12 0.00 0.82 0.00 0.00 66.70 65.95 2crk h VAL 255 Cb 0.34 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2crk h VAL 255 CO 0.00 0.53 -0.41 1.23 0.02 0.00 0.00 177.57 178.94 2crk h GLY 256 N 0.81 0.45 0.89 2.17 0.00 -0.85 -2.57 103.07 103.98 2crk h GLY 256 Ca 0.05 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 2crk h GLY 256 CO 0.10 0.40 -0.14 1.41 0.00 0.00 0.00 176.54 178.31 2crk h LEU 257 N 0.34 0.61 -1.66 3.11 3.38 -1.37 -2.72 115.31 117.00 2crk h LEU 257 Ca 0.03 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 2crk h LEU 257 Cb 0.87 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2crk h LEU 257 CO 0.07 0.88 -0.18 -0.61 0.09 0.00 0.00 178.44 178.69 2crk h GLN 258 N 0.33 0.00 0.08 1.13 -0.00 -1.33 -1.02 115.11 114.31 2crk h GLN 258 Ca 0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.46 2crk h GLN 258 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.13 2crk h GLN 258 CO 0.04 0.18 -1.12 0.87 0.00 0.00 0.00 178.83 178.80 2crk h LYS 259 N 0.00 0.30 0.03 1.69 1.57 -1.31 -2.81 116.57 116.04 2crk h LYS 259 Ca -0.00 -0.43 -0.22 0.00 -1.87 0.00 0.00 60.65 58.12 2crk h LYS 259 Cb 0.46 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2crk h LYS 259 CO 0.02 1.16 -0.99 0.82 -0.57 0.00 0.00 179.45 179.90 2crk h ILE 260 N 0.12 1.52 -0.71 1.86 2.04 -1.32 -3.29 117.51 117.74 2crk h ILE 260 Ca -0.11 -2.84 -0.06 0.00 1.00 0.00 0.00 64.86 62.85 2crk h ILE 260 Cb 1.82 2.64 -0.03 0.00 -0.74 0.00 0.00 36.82 40.51 2crk h ILE 260 CO 0.19 0.83 0.22 -0.08 0.00 0.00 0.00 178.15 179.30 2crk h GLU 261 N 0.09 1.10 0.00 2.37 4.81 -1.21 -1.97 114.58 119.77 2crk h GLU 261 Ca -0.06 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 58.78 2crk h GLU 261 Cb 1.67 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.86 2crk h GLU 261 CO 0.15 0.94 -0.72 1.05 -0.73 0.00 0.00 179.01 179.71 2crk h GLU 262 N 1.06 0.00 -0.25 1.92 4.11 -1.62 -1.46 114.58 118.34 2crk h GLU 262 Ca 0.23 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.47 2crk h GLU 262 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2crk h GLU 262 CO -0.01 0.72 -0.60 0.82 0.07 0.00 0.00 179.01 180.01 2crk h ILE 263 N 0.00 1.28 -0.02 -1.06 2.04 -1.59 -2.11 117.51 116.05 2crk h ILE 263 Ca -0.01 -1.79 -0.13 0.00 1.00 0.00 0.00 64.86 63.93 2crk h ILE 263 Cb 1.38 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 39.19 2crk h ILE 263 CO 0.09 0.58 -0.60 -0.26 0.00 0.00 0.00 178.15 177.96 2crk h PHE 264 N 0.61 0.09 -0.17 1.37 -1.00 -1.33 -2.96 116.94 113.55 2crk h PHE 264 Ca -0.01 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.71 2crk h PHE 264 Cb 1.22 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.76 2crk h PHE 264 CO 0.08 0.66 -0.02 0.87 -1.61 0.00 0.00 178.31 178.28 2crk h LYS 265 N 0.05 0.31 -0.02 1.51 1.57 -1.10 0.24 116.57 119.13 2crk h LYS 265 Ca -0.01 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2crk h LYS 265 Cb 1.08 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 2crk h LYS 265 CO 0.08 0.56 0.02 0.87 -0.57 0.00 0.00 179.45 180.42 2crk h LYS 266 N 0.03 0.00 -0.02 3.15 1.57 -1.32 -2.33 116.57 117.65 2crk h LYS 266 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2crk h LYS 266 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2crk h LYS 266 CO 0.01 0.00 -0.09 0.00 -0.57 0.00 0.00 179.45 178.81 2crk n ALA 267 N -2.38 2.73 -0.60 3.86 0.00 -1.12 -4.92 120.51 118.08 2crk n ALA 267 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2crk n ALA 267 Cb 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2crk n ALA 267 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2crk n GLY 268 N 1.25 0.66 2.34 0.00 0.00 -0.88 -5.02 105.19 103.55 2crk n GLY 268 Ca 0.16 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 2crk n GLY 268 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2crk n HIS 269 N -2.60 0.78 -1.34 1.61 8.25 0.84 -4.91 115.22 117.86 2crk n HIS 269 Ca 0.00 -3.72 -0.29 0.00 -0.26 0.00 0.00 57.72 53.46 2crk n HIS 269 Cb 0.00 -0.31 0.16 0.00 1.12 0.00 0.00 29.99 30.96 2crk n HIS 269 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2crk s PRO 270 N -1.28 0.72 0.30 -0.41 0.02 -1.20 -4.27 135.00 128.89 2crk s PRO 270 Ca 0.35 0.40 -0.29 0.00 0.02 0.00 0.00 61.00 61.48 2crk s PRO 270 Cb 0.12 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.76 2crk s PRO 270 CO -0.11 -2.50 1.35 -0.06 -0.33 0.00 0.00 177.00 175.35 2crk s PHE 271 N -3.11 3.03 0.16 6.54 0.08 -1.26 0.09 117.98 123.51 2crk s PHE 271 Ca 0.65 1.29 -0.31 0.00 0.12 0.00 0.00 56.93 58.67 2crk s PHE 271 Cb -0.17 -3.73 -0.09 0.00 -0.57 0.00 0.00 43.02 38.47 2crk s PHE 271 CO 0.56 -2.13 1.39 -1.64 -0.10 0.00 0.00 175.22 173.30 2crk s MET 272 N -1.30 4.32 -0.25 0.44 -1.94 -0.25 -4.69 119.30 115.63 2crk s MET 272 Ca 0.52 2.13 -0.26 0.00 -1.71 0.00 0.00 55.69 56.38 2crk s MET 272 Cb -0.40 -3.20 0.08 0.00 2.01 0.00 0.00 34.83 33.31 2crk s MET 272 CO 0.50 -0.40 0.79 -0.46 -0.01 0.00 0.00 175.02 175.44 2crk s TRP 273 N 0.68 -0.70 0.02 -0.03 -0.00 -1.26 -2.18 118.94 115.48 2crk s TRP 273 Ca 0.62 1.66 -0.05 0.00 -0.00 0.00 0.00 56.10 58.33 2crk s TRP 273 Cb -0.38 0.31 -0.01 0.00 -0.00 0.00 0.00 33.47 33.39 2crk s TRP 273 CO 0.34 -0.36 0.08 0.54 -0.00 0.00 0.00 176.95 177.55 2crk s ASN 274 N 0.18 0.15 0.66 5.86 2.20 -0.96 -4.98 114.94 118.04 2crk s ASN 274 Ca -0.00 -0.42 0.36 0.00 -0.94 0.00 0.00 52.86 51.86 2crk s ASN 274 Cb -0.04 0.19 1.99 0.00 -2.00 0.00 0.00 41.25 41.39 2crk s ASN 274 CO 0.00 -0.42 2.13 1.05 -2.94 0.00 0.00 177.10 176.93 2crk h GLU 275 N 4.07 0.00 0.06 3.55 4.11 -1.89 0.11 114.58 124.58 2crk h GLU 275 Ca -0.32 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.77 2crk h GLU 275 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2crk h GLU 275 CO 0.45 0.00 -1.94 1.58 0.07 0.00 0.00 179.01 179.18 2crk n HIS 276 N -3.05 0.88 0.74 2.06 -0.00 -1.26 -1.28 115.22 113.30 2crk n HIS 276 Ca -0.02 0.24 0.09 0.00 0.46 0.00 0.00 57.72 58.49 2crk n HIS 276 Cb 0.24 -1.11 0.07 0.00 -0.12 0.00 0.00 29.99 29.07 2crk n HIS 276 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2crk n LEU 277 N -3.77 2.41 0.00 0.27 4.77 -1.14 -3.62 117.00 115.93 2crk n LEU 277 Ca -0.36 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 54.63 2crk n LEU 277 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2crk n LEU 277 CO 0.30 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2crk n GLY 278 N 1.01 0.94 3.69 -0.72 0.00 0.37 -0.77 105.19 109.71 2crk n GLY 278 Ca 0.10 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 2crk n GLY 278 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2crk s TYR 279 N 0.00 2.50 0.02 1.61 2.02 -0.94 -2.28 117.35 120.29 2crk s TYR 279 Ca 0.00 0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.93 2crk s TYR 279 Cb 0.00 -3.95 -0.06 0.00 -0.40 0.00 0.00 41.96 37.55 2crk s TYR 279 CO 0.00 -3.77 0.42 0.14 -1.57 0.00 0.00 175.55 170.76 2crk s VAL 280 N 2.47 5.02 0.23 0.71 -7.23 -0.92 -2.54 120.40 118.14 2crk s VAL 280 Ca 0.73 0.80 -0.02 0.00 -1.81 0.00 0.00 61.98 61.68 2crk s VAL 280 Cb -0.40 -3.71 -0.03 0.00 0.56 0.00 0.00 36.38 32.80 2crk s VAL 280 CO 0.32 0.53 0.21 -0.76 -0.31 0.00 0.00 175.10 175.09 2crk s LEU 281 N -1.22 1.10 0.36 1.32 1.43 -1.26 -3.93 118.68 116.48 2crk s LEU 281 Ca 0.26 -1.37 0.09 0.00 -1.03 0.00 0.00 54.13 52.07 2crk s LEU 281 Cb -0.16 0.64 0.69 0.00 0.03 0.00 0.00 46.19 47.39 2crk s LEU 281 CO 0.14 -0.93 1.85 0.00 0.23 0.00 0.00 176.35 177.65 2crk h THR 282 N 2.49 1.22 -3.29 5.49 1.03 -1.85 -3.42 112.91 114.57 2crk h THR 282 Ca -0.33 -1.02 -0.63 0.00 -0.01 0.00 0.00 66.41 64.43 2crk h THR 282 Cb 1.25 1.37 -0.18 0.00 -1.07 0.00 0.00 68.15 69.52 2crk h THR 282 CO 0.48 0.31 -0.61 0.00 -0.01 0.00 0.00 175.52 175.68 2crk h PRO 284 N 6.61 0.00 0.00 0.00 0.11 -1.82 -1.83 132.00 135.07 2crk h PRO 284 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2crk h PRO 284 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2crk h PRO 284 CO 0.66 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 2crk n SER 285 N -3.50 0.00 -0.50 -2.05 3.41 -1.26 -2.87 113.62 106.86 2crk n SER 285 Ca 0.01 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.19 2crk n SER 285 Cb 0.37 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.86 2crk n SER 285 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2crk n ASN 286 N -1.49 1.96 -4.52 4.04 5.03 -0.69 -4.89 115.26 114.71 2crk n ASN 286 Ca 0.05 -1.48 -0.31 0.00 0.87 0.00 0.00 54.58 53.71 2crk n ASN 286 Cb 0.23 0.30 0.17 0.00 -1.02 0.00 0.00 39.78 39.47 2crk n ASN 286 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2crk n LEU 287 N 0.29 0.84 0.00 3.41 4.32 -1.14 -2.34 117.00 122.38 2crk n LEU 287 Ca 0.08 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 2crk n LEU 287 Cb 0.39 -1.31 0.00 0.00 -1.62 0.00 0.00 43.42 40.88 2crk n LEU 287 CO 0.17 -2.89 0.00 0.61 -1.22 0.00 0.00 177.39 174.06 2crk n GLY 288 N 0.95 2.01 0.03 -0.72 0.00 0.05 -3.82 105.19 103.69 2crk n GLY 288 Ca 0.08 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 2crk n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2crk n THR 289 N 0.00 0.41 -0.64 2.61 -2.24 -1.09 -2.20 114.28 111.14 2crk n THR 289 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2crk n THR 289 Cb 0.00 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 2crk n THR 289 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2crk n GLY 290 N 2.65 0.39 3.78 3.38 0.00 -0.99 -4.49 105.19 109.91 2crk n GLY 290 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2crk n GLY 290 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2crk s LEU 291 N 0.00 4.35 -0.33 0.99 0.20 -1.26 -3.92 118.68 118.71 2crk s LEU 291 Ca 0.00 1.81 0.01 0.00 0.69 0.00 0.00 54.13 56.64 2crk s LEU 291 Cb 0.00 -3.98 0.14 0.00 -0.43 0.00 0.00 46.19 41.92 2crk s LEU 291 CO 0.00 -0.06 0.30 -0.60 -0.29 0.00 0.00 176.35 175.70 2crk s ARG 292 N -2.03 0.48 -0.02 1.98 3.52 -0.28 -4.86 118.95 117.74 2crk s ARG 292 Ca 0.49 -0.70 -0.06 0.00 -0.13 0.00 0.00 55.73 55.33 2crk s ARG 292 Cb -0.19 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.30 2crk s ARG 292 CO 0.24 -1.13 0.23 0.20 -0.81 0.00 0.00 175.30 174.03 2crk s GLY 293 N 1.71 2.23 0.25 8.12 0.00 -1.26 -2.04 107.32 116.32 2crk s GLY 293 Ca 0.14 -0.61 -0.16 0.00 0.00 0.00 0.00 44.72 44.09 2crk s GLY 293 CO -0.15 -0.41 0.79 0.61 0.00 0.00 0.00 173.10 173.94 2crk n GLY 294 N 1.29 0.90 3.21 0.20 0.00 0.24 -2.93 105.19 108.10 2crk n GLY 294 Ca -0.13 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 2crk n GLY 294 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crk s VAL 295 N -2.17 0.05 -0.29 1.61 -7.23 -0.66 -0.64 120.40 111.07 2crk s VAL 295 Ca 0.17 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 2crk s VAL 295 Cb -0.03 -2.22 0.04 0.00 0.56 0.00 0.00 36.38 34.73 2crk s VAL 295 CO 0.07 -0.23 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.62 2crk s HIS 296 N -4.08 3.20 0.01 2.82 3.76 -0.66 -2.09 115.29 118.24 2crk s HIS 296 Ca 0.29 -1.73 0.07 0.00 -0.15 0.00 0.00 55.06 53.54 2crk s HIS 296 Cb 0.06 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.62 2crk s HIS 296 CO 0.06 -0.77 -0.22 0.14 -0.85 0.00 0.00 174.74 173.10 2crk s VAL 297 N 1.29 2.45 -0.68 -0.90 -7.23 -0.81 -0.03 120.40 114.49 2crk s VAL 297 Ca -0.03 -1.13 -0.24 0.00 -1.81 0.00 0.00 61.98 58.77 2crk s VAL 297 Cb -0.19 -1.95 0.06 0.00 0.56 0.00 0.00 36.38 34.86 2crk s VAL 297 CO -0.02 0.47 1.07 -0.54 -0.31 0.00 0.00 175.10 175.77 2crk s LYS 298 N -1.00 3.15 -0.72 4.82 -0.14 0.88 -1.92 119.74 124.81 2crk s LYS 298 Ca 0.12 -0.59 0.04 0.00 -1.36 0.00 0.00 55.97 54.18 2crk s LYS 298 Cb -0.10 -4.20 0.27 0.00 -1.68 0.00 0.00 37.83 32.11 2crk s LYS 298 CO 0.02 -1.90 0.91 1.28 -0.76 0.00 0.00 175.35 174.89 2crk n LEU 299 N 8.24 4.34 0.10 3.17 4.77 -1.12 -4.88 117.00 131.63 2crk n LEU 299 Ca -0.01 -5.41 -0.13 0.00 -0.03 0.00 0.00 56.01 50.42 2crk n LEU 299 Cb 0.47 -0.78 -0.06 0.00 -2.33 0.00 0.00 43.42 40.71 2crk n LEU 299 CO 0.66 2.00 0.62 0.00 -1.33 0.00 0.00 177.39 179.35 2crk h ALA 300 N 4.37 -0.61 0.08 -1.18 0.00 -1.91 -2.55 119.26 117.46 2crk h ALA 300 Ca 0.20 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.76 2crk h ALA 300 Cb 0.64 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2crk h ALA 300 CO 0.94 -0.91 -1.63 0.45 0.00 0.00 0.00 179.25 178.10 2crk h HIS 301 N -0.57 0.31 -0.84 0.00 3.86 -1.91 -3.39 115.15 112.61 2crk h HIS 301 Ca 0.04 -0.22 0.16 0.00 -1.16 0.00 0.00 60.37 59.18 2crk h HIS 301 Cb 0.62 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 29.01 2crk h HIS 301 CO -0.33 1.64 0.55 1.25 0.86 0.00 0.00 177.93 181.90 2crk h LEU 302 N -0.38 0.50 -0.90 2.43 5.85 -1.91 0.30 115.31 121.19 2crk h LEU 302 Ca -0.38 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2crk h LEU 302 Cb 1.73 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.70 2crk h LEU 302 CO -0.02 0.24 0.00 0.77 -0.34 0.00 0.00 178.44 179.09 2crk h SER 303 N 0.52 0.00 0.66 1.25 4.64 -1.64 -2.28 113.55 116.70 2crk h SER 303 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2crk h SER 303 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2crk h SER 303 CO -0.17 0.00 -1.05 0.29 -0.87 0.00 0.00 176.83 175.03 2crk n LYS 304 N -2.78 0.44 -1.77 4.77 4.76 0.04 -4.93 118.16 118.70 2crk n LYS 304 Ca 0.02 0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 55.08 2crk n LYS 304 Cb 0.33 -1.69 -0.00 0.00 -1.84 0.00 0.00 35.03 31.83 2crk n LYS 304 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2crk n HIS 305 N -2.28 2.93 0.19 2.13 -0.00 -0.86 -4.90 115.22 112.44 2crk n HIS 305 Ca 0.01 0.41 0.16 0.00 0.46 0.00 0.00 57.72 58.76 2crk n HIS 305 Cb 0.49 -2.54 0.78 0.00 -0.12 0.00 0.00 29.99 28.60 2crk n HIS 305 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2crk h PRO 306 N 3.29 0.00 -0.59 1.57 0.11 -1.92 -2.52 132.00 131.94 2crk h PRO 306 Ca -0.50 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2crk h PRO 306 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2crk h PRO 306 CO 0.67 0.00 0.08 1.63 -0.21 0.00 0.00 178.00 180.17 2crk n LYS 307 N -4.04 4.27 0.51 1.05 5.02 -1.26 -4.63 118.16 119.08 2crk n LYS 307 Ca 0.02 -3.11 -0.20 0.00 -2.02 0.00 0.00 58.31 52.99 2crk n LYS 307 Cb 0.30 -2.20 -0.10 0.00 -0.02 0.00 0.00 35.03 33.01 2crk n LYS 307 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2crk h PHE 308 N 3.29 -1.25 -0.77 2.13 3.57 -1.67 -1.46 116.94 120.78 2crk h PHE 308 Ca 0.09 -0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.71 2crk h PHE 308 Cb 2.03 0.42 -0.10 0.00 2.79 0.00 0.00 35.95 41.09 2crk h PHE 308 CO 1.09 -0.76 0.30 0.93 -2.23 0.00 0.00 178.31 177.63 2crk h GLU 309 N -1.32 0.41 -0.48 1.11 4.39 -1.85 -1.44 114.58 115.40 2crk h GLU 309 Ca -0.13 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 2crk h GLU 309 Cb 1.01 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 2crk h GLU 309 CO 0.21 0.27 -0.11 1.49 -1.16 0.00 0.00 179.01 179.71 2crk h GLU 310 N 0.42 0.88 -0.08 2.33 4.81 -1.87 -1.88 114.58 119.20 2crk h GLU 310 Ca 0.43 -0.31 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 2crk h GLU 310 Cb 0.68 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2crk h GLU 310 CO -0.43 0.95 -0.46 0.82 -0.73 0.00 0.00 179.01 179.16 2crk h ILE 311 N 0.79 1.33 -0.13 2.32 2.04 -0.29 -1.53 117.51 122.05 2crk h ILE 311 Ca 0.13 -1.63 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 2crk h ILE 311 Cb 0.63 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2crk h ILE 311 CO 0.04 0.48 0.01 -0.07 0.00 0.00 0.00 178.15 178.61 2crk h LEU 312 N 0.15 0.21 -0.62 1.44 4.07 -0.99 -2.46 115.31 117.11 2crk h LEU 312 Ca 0.01 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.68 2crk h LEU 312 Cb 0.87 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.53 2crk h LEU 312 CO 0.07 0.45 0.40 0.74 -1.08 0.00 0.00 178.44 179.02 2crk h THR 313 N -0.04 1.16 0.00 0.22 2.02 -1.14 0.18 112.91 115.32 2crk h THR 313 Ca 0.04 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2crk h THR 313 Cb 0.34 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2crk h THR 313 CO 0.01 0.16 0.00 0.08 0.37 0.00 0.00 175.52 176.14 2crk h ARG 314 N 0.84 0.00 0.00 6.66 0.11 -1.28 -0.57 114.38 120.14 2crk h ARG 314 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 2crk h ARG 314 Cb -0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.00 2crk h ARG 314 CO -0.05 0.00 -0.46 1.28 0.10 0.00 0.00 179.97 180.84 2crk n LEU 315 N -3.05 0.47 -1.01 0.08 4.77 -0.92 -1.42 117.00 115.92 2crk n LEU 315 Ca 0.02 0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 2crk n LEU 315 Cb 0.39 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2crk n LEU 315 CO 0.30 0.09 -0.12 0.54 -1.33 0.00 0.00 177.39 176.87 2crk n ARG 316 N -1.56 -0.80 -3.62 3.23 1.74 -0.07 -4.51 116.66 111.07 2crk n ARG 316 Ca 0.05 0.72 -0.24 0.00 -0.77 0.00 0.00 57.85 57.62 2crk n ARG 316 Cb 0.35 -4.74 0.01 0.00 -1.02 0.00 0.00 32.46 27.05 2crk n ARG 316 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2crk s LEU 317 N -2.75 2.89 0.16 0.55 1.43 -0.47 -2.04 118.68 118.46 2crk s LEU 317 Ca 0.00 -1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 51.87 2crk s LEU 317 Cb 0.00 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.83 2crk s LEU 317 CO 0.00 -1.11 0.42 0.00 0.23 0.00 0.00 176.35 175.89 2crk s GLN 318 N -4.36 1.21 0.31 1.70 -2.07 0.66 -4.26 119.66 112.85 2crk s GLN 318 Ca 0.43 -0.87 0.04 0.00 -1.82 0.00 0.00 55.36 53.14 2crk s GLN 318 Cb -0.03 0.47 -0.06 0.00 -1.09 0.00 0.00 33.01 32.29 2crk s GLN 318 CO 0.27 -0.48 0.05 -1.59 -1.32 0.00 0.00 175.29 172.21 2crk s LYS 319 N -3.87 1.61 0.19 9.60 -2.85 -1.26 -0.27 119.74 122.90 2crk s LYS 319 Ca 0.08 -1.88 -0.22 0.00 -1.00 0.00 0.00 55.97 52.95 2crk s LYS 319 Cb 0.01 -0.84 0.05 0.00 -2.06 0.00 0.00 37.83 35.00 2crk s LYS 319 CO -0.06 -0.17 0.62 -0.98 0.10 0.00 0.00 175.35 174.86 2crk s ARG 320 N -3.89 1.42 1.10 1.78 1.70 0.13 -4.95 118.95 116.24 2crk s ARG 320 Ca 0.36 -0.66 -0.16 0.00 -0.47 0.00 0.00 55.73 54.80 2crk s ARG 320 Cb 0.08 0.59 0.13 0.00 -0.57 0.00 0.00 34.95 35.18 2crk s ARG 320 CO 0.15 -0.63 0.29 0.41 -1.08 0.00 0.00 175.30 174.44 2crk n GLY 321 N -0.39 -2.27 0.00 3.88 0.00 -1.26 -1.10 105.19 104.04 2crk n GLY 321 Ca -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2crk n GLY 321 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2crk n THR 322 N -4.39 0.00 -0.49 2.61 -1.04 -1.26 -4.35 114.28 105.35 2crk n THR 322 Ca 0.02 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.98 2crk n THR 322 Cb 0.59 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.03 2crk n THR 322 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2crk n SER 332 N 0.00 2.89 -4.86 8.00 3.41 -1.26 -4.99 113.62 116.81 2crk n SER 332 Ca 0.00 -1.99 -0.37 0.00 -0.26 0.00 0.00 58.87 56.26 2crk n SER 332 Cb 0.00 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.14 2crk n SER 332 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2crk s VAL 333 N 1.70 5.25 0.19 -3.33 -7.23 -1.26 -2.79 120.40 112.93 2crk s VAL 333 Ca 0.29 0.48 0.09 0.00 -1.81 0.00 0.00 61.98 61.03 2crk s VAL 333 Cb 0.14 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.46 2crk s VAL 333 CO 0.00 0.54 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.78 2crk s PHE 334 N -1.12 1.90 -0.45 2.82 0.40 -0.81 -4.93 117.98 115.79 2crk s PHE 334 Ca 0.22 -0.46 -0.12 0.00 -0.60 0.00 0.00 56.93 55.97 2crk s PHE 334 Cb -0.14 -0.92 0.08 0.00 0.51 0.00 0.00 43.02 42.55 2crk s PHE 334 CO 0.11 0.39 0.33 0.34 0.70 0.00 0.00 175.22 177.09 2crk s ASP 335 N -2.85 5.86 -0.16 1.36 -1.08 -0.26 -1.93 116.67 117.61 2crk s ASP 335 Ca 0.19 -1.47 -0.06 0.00 -0.52 0.00 0.00 52.55 50.69 2crk s ASP 335 Cb -0.05 -2.07 -0.04 0.00 -1.46 0.00 0.00 42.92 39.30 2crk s ASP 335 CO 0.08 -0.60 0.03 -0.63 0.52 0.00 0.00 175.17 174.56 2crk s ILE 336 N 1.51 4.47 0.15 4.11 -1.09 -0.89 -0.69 121.20 128.76 2crk s ILE 336 Ca 0.04 -0.16 -0.04 0.00 -2.23 0.00 0.00 60.65 58.26 2crk s ILE 336 Cb -0.24 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 2crk s ILE 336 CO 0.04 0.49 0.14 -0.94 -1.23 0.00 0.00 174.94 173.44 2crk s SER 337 N 0.16 0.21 0.65 3.58 1.04 0.63 -1.65 113.70 118.32 2crk s SER 337 Ca 0.02 -1.10 -0.18 0.00 0.48 0.00 0.00 55.95 55.18 2crk s SER 337 Cb -0.13 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 2crk s SER 337 CO 0.01 -0.79 1.24 0.54 0.98 0.00 0.00 173.24 175.22 2crk s ASN 338 N -3.03 4.75 -0.01 7.02 2.20 -1.15 -0.24 114.94 124.48 2crk s ASN 338 Ca 0.22 2.45 0.17 0.00 -0.94 0.00 0.00 52.86 54.77 2crk s ASN 338 Cb 0.06 -2.60 -0.21 0.00 -2.00 0.00 0.00 41.25 36.50 2crk s ASN 338 CO 0.02 -1.89 0.63 0.00 -2.94 0.00 0.00 177.10 172.92 2crk n ALA 339 N -1.98 3.81 -2.20 3.54 0.00 -0.86 -4.71 120.51 118.11 2crk n ALA 339 Ca 0.14 -0.46 -0.28 0.00 0.00 0.00 0.00 53.44 52.84 2crk n ALA 339 Cb 0.49 -0.61 -0.00 0.00 0.00 0.00 0.00 19.45 19.33 2crk n ALA 339 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2crk s ASP 340 N -2.95 6.27 0.06 0.00 1.01 -1.26 -5.01 116.67 114.79 2crk s ASP 340 Ca 0.03 1.01 0.00 0.00 0.71 0.00 0.00 52.55 54.31 2crk s ASP 340 Cb 0.12 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.77 2crk s ASP 340 CO 0.70 -0.61 0.00 0.54 0.21 0.00 0.00 175.17 176.01 2crk n ARG 341 N -2.28 0.00 -4.30 8.23 5.12 -1.26 -4.89 116.66 117.28 2crk n ARG 341 Ca 0.01 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.59 2crk n ARG 341 Cb 0.55 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.75 2crk n ARG 341 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2crk s LEU 342 N -5.40 3.63 0.00 0.55 1.43 -1.25 -2.65 118.68 114.99 2crk s LEU 342 Ca 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2crk s LEU 342 Cb 0.00 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2crk s LEU 342 CO 0.00 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.52 2crk n GLY 343 N 2.46 1.39 2.94 -3.19 0.00 -1.26 -4.98 105.19 102.54 2crk n GLY 343 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 2crk n GLY 343 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crk s SER 344 N -1.71 0.24 0.81 1.61 1.04 -1.26 -4.86 113.70 109.57 2crk s SER 344 Ca 0.00 -0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.05 2crk s SER 344 Cb 0.00 0.04 0.08 0.00 0.10 0.00 0.00 66.02 66.23 2crk s SER 344 CO 0.00 -0.13 1.13 -0.94 0.98 0.00 0.00 173.24 174.28 2crk s SER 345 N -0.75 4.45 0.35 7.02 1.04 -1.24 -4.79 113.70 119.78 2crk s SER 345 Ca -0.07 1.05 0.08 0.00 0.48 0.00 0.00 55.95 57.49 2crk s SER 345 Cb -0.05 -1.70 0.65 0.00 0.10 0.00 0.00 66.02 65.02 2crk s SER 345 CO -0.00 -1.96 1.83 1.05 0.98 0.00 0.00 173.24 175.13 2crk h GLU 346 N -1.09 0.25 -0.27 4.02 9.09 -1.84 -2.18 114.58 122.55 2crk h GLU 346 Ca -0.47 -0.08 -0.09 0.00 0.05 0.00 0.00 59.36 58.77 2crk h GLU 346 Cb 1.30 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 28.36 2crk h GLU 346 CO 0.63 0.47 -0.20 0.28 0.05 0.00 0.00 179.01 180.24 2crk h VAL 347 N 0.23 1.25 0.00 -1.06 2.07 -1.90 -1.11 116.25 115.73 2crk h VAL 347 Ca 0.04 -1.18 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 2crk h VAL 347 Cb 0.54 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2crk h VAL 347 CO 0.04 0.38 -0.32 -0.33 0.02 0.00 0.00 177.57 177.35 2crk h GLU 348 N 0.45 0.00 0.16 1.57 5.08 -1.78 -1.23 114.58 118.83 2crk h GLU 348 Ca 0.07 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.11 2crk h GLU 348 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 2crk h GLU 348 CO 0.04 0.32 -1.60 1.96 -1.00 0.00 0.00 179.01 178.74 2crk h GLN 349 N 0.00 0.35 0.00 2.33 4.20 -0.93 -2.92 115.11 118.14 2crk h GLN 349 Ca -0.00 -0.59 0.00 0.00 0.06 0.00 0.00 58.65 58.11 2crk h GLN 349 Cb 0.98 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2crk h GLN 349 CO 0.04 1.28 0.00 0.28 -0.67 0.00 0.00 178.83 179.77 2crk h VAL 350 N -0.05 0.00 -0.03 -0.54 2.07 -1.28 -2.96 116.25 113.46 2crk h VAL 350 Ca -0.32 -0.50 -0.21 0.00 0.82 0.00 0.00 66.70 66.50 2crk h VAL 350 Cb 1.97 1.43 0.02 0.00 -1.52 0.00 0.00 31.29 33.18 2crk h VAL 350 CO 0.14 0.00 -0.79 -0.61 0.02 0.00 0.00 177.57 176.33 2crk h GLN 351 N 0.00 0.58 0.00 1.57 5.75 -1.26 -2.66 115.11 119.09 2crk h GLN 351 Ca 0.00 -0.59 -0.03 0.00 -0.15 0.00 0.00 58.65 57.87 2crk h GLN 351 Cb 0.66 0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.37 2crk h GLN 351 CO 0.00 1.21 -0.16 -0.07 -2.65 0.00 0.00 178.83 177.15 2crk h LEU 352 N 0.19 0.00 -0.03 -2.39 3.38 -1.37 -1.84 115.31 113.26 2crk h LEU 352 Ca -0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2crk h LEU 352 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2crk h LEU 352 CO 0.16 0.16 -0.16 0.58 0.09 0.00 0.00 178.44 179.27 2crk h VAL 353 N 0.00 1.49 -0.08 1.22 2.07 -1.43 -2.06 116.25 117.46 2crk h VAL 353 Ca -0.00 -1.69 0.01 0.00 0.82 0.00 0.00 66.70 65.84 2crk h VAL 353 Cb 0.35 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2crk h VAL 353 CO 0.02 0.46 0.03 1.62 0.02 0.00 0.00 177.57 179.72 2crk h VAL 354 N -0.45 0.99 0.35 2.57 3.04 -1.36 -1.91 116.25 119.48 2crk h VAL 354 Ca -0.01 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.64 2crk h VAL 354 Cb 0.83 0.91 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 2crk h VAL 354 CO 0.03 0.01 -0.19 0.44 -1.01 0.00 0.00 177.57 176.85 2crk h ASP 355 N 0.07 -0.47 1.13 3.17 3.32 -1.41 -1.35 116.42 120.89 2crk h ASP 355 Ca 0.03 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2crk h ASP 355 Cb 0.01 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2crk h ASP 355 CO -0.03 -0.32 -0.27 1.23 -1.72 0.00 0.00 179.24 178.13 2crk h GLY 356 N -0.51 0.00 1.71 2.75 0.00 -0.45 -1.69 103.07 104.88 2crk h GLY 356 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 2crk h GLY 356 CO 0.06 0.00 -0.85 -2.08 0.00 0.00 0.00 176.54 173.67 2crk h VAL 357 N 0.00 0.91 -0.07 4.60 2.07 -1.27 -1.30 116.25 121.20 2crk h VAL 357 Ca -0.00 -2.38 -0.04 0.00 0.82 0.00 0.00 66.70 65.10 2crk h VAL 357 Cb 0.91 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2crk h VAL 357 CO 0.04 0.52 -0.11 0.11 0.02 0.00 0.00 177.57 178.14 2crk h LYS 358 N 0.00 0.19 -0.05 1.57 1.57 -1.09 -2.65 116.57 116.10 2crk h LYS 358 Ca -0.05 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2crk h LYS 358 Cb 1.52 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.80 2crk h LYS 358 CO 0.07 0.69 -0.15 1.25 -0.57 0.00 0.00 179.45 180.74 2crk h LEU 359 N -0.28 -0.46 -1.93 2.94 5.85 -1.31 -2.42 115.31 117.71 2crk h LEU 359 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2crk h LEU 359 Cb 0.67 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 2crk h LEU 359 CO 0.03 -0.21 -0.04 0.24 -0.34 0.00 0.00 178.44 178.12 2crk h MET 360 N -0.23 0.00 -0.03 1.25 2.86 -1.28 -0.51 114.93 117.00 2crk h MET 360 Ca 0.07 -0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.53 2crk h MET 360 Cb 0.32 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2crk h MET 360 CO -0.18 0.04 -0.77 0.28 1.06 0.00 0.00 176.91 177.34 2crk h VAL 361 N 0.00 1.45 -0.10 -2.22 2.07 -1.21 -1.82 116.25 114.42 2crk h VAL 361 Ca -0.00 -2.35 -0.02 0.00 0.82 0.00 0.00 66.70 65.15 2crk h VAL 361 Cb 0.07 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2crk h VAL 361 CO 0.00 0.69 -0.00 -0.33 0.02 0.00 0.00 177.57 177.95 2crk h GLU 362 N 0.14 0.18 -1.00 1.57 5.08 -0.66 -1.58 114.58 118.31 2crk h GLU 362 Ca -0.03 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2crk h GLU 362 Cb 1.34 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.51 2crk h GLU 362 CO 0.12 0.44 0.64 0.52 -1.00 0.00 0.00 179.01 179.73 2crk h MET 363 N -0.11 1.14 0.00 2.33 2.86 -1.18 -1.62 114.93 118.35 2crk h MET 363 Ca 0.03 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 2crk h MET 363 Cb 0.36 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2crk h MET 363 CO 0.01 0.76 -0.48 1.49 1.06 0.00 0.00 176.91 179.74 2crk h GLU 364 N 1.18 0.00 0.00 1.72 4.57 -1.22 -2.31 114.58 118.52 2crk h GLU 364 Ca 0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 2crk h GLU 364 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2crk h GLU 364 CO -0.17 0.48 0.00 1.63 -1.18 0.00 0.00 179.01 179.78 2crk n LYS 365 N -3.87 0.41 -0.13 1.92 5.02 -0.60 -2.47 118.16 118.44 2crk n LYS 365 Ca -0.01 0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 2crk n LYS 365 Cb 0.52 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.92 2crk n LYS 365 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2crk n LYS 366 N -1.29 0.60 0.15 1.97 5.02 -0.97 -4.20 118.16 119.45 2crk n LYS 366 Ca 0.14 0.29 0.08 0.00 -2.02 0.00 0.00 58.31 56.80 2crk n LYS 366 Cb 0.24 -1.54 0.57 0.00 -0.02 0.00 0.00 35.03 34.28 2crk n LYS 366 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2crk h LEU 367 N -0.79 0.16 -1.95 -0.35 3.38 -1.50 0.35 115.31 114.59 2crk h LEU 367 Ca -0.63 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.36 2crk h LEU 367 Cb 1.64 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2crk h LEU 367 CO -0.32 0.11 0.08 -0.33 0.09 0.00 0.00 178.44 178.06 2crk h GLU 368 N 0.18 0.06 -0.65 1.13 5.08 -1.67 -1.37 114.58 117.34 2crk h GLU 368 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2crk h GLU 368 Cb 0.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2crk h GLU 368 CO -0.01 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 2crk n LYS 369 N -4.51 3.64 -1.20 2.33 5.02 0.11 -4.95 118.16 118.60 2crk n LYS 369 Ca -0.01 -2.72 -0.07 0.00 -2.02 0.00 0.00 58.31 53.49 2crk n LYS 369 Cb 0.15 -1.88 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 2crk n LYS 369 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2crk n GLY 370 N 1.09 0.85 3.93 0.72 0.00 -0.52 -5.01 105.19 106.26 2crk n GLY 370 Ca 0.25 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 2crk n GLY 370 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2crk s GLN 371 N -2.23 3.18 0.35 1.61 -0.21 -0.73 -4.98 119.66 116.65 2crk s GLN 371 Ca 0.00 -0.23 -0.03 0.00 0.02 0.00 0.00 55.36 55.12 2crk s GLN 371 Cb 0.00 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 2crk s GLN 371 CO 0.00 -0.30 0.61 0.45 -2.12 0.00 0.00 175.29 173.93 2crk s SER 372 N -4.19 6.36 0.26 5.90 0.15 -1.26 -4.13 113.70 116.79 2crk s SER 372 Ca 0.48 0.68 0.11 0.00 0.70 0.00 0.00 55.95 57.93 2crk s SER 372 Cb -0.10 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 62.03 2crk s SER 372 CO 0.41 -0.31 -0.15 0.27 1.20 0.00 0.00 173.24 174.65 2crk s ILE 373 N -2.30 2.73 -0.20 6.45 -4.36 -1.26 -4.94 121.20 117.32 2crk s ILE 373 Ca 0.44 -2.19 0.01 0.00 -0.26 0.00 0.00 60.65 58.65 2crk s ILE 373 Cb -0.10 -2.42 0.04 0.00 1.25 0.00 0.00 42.46 41.23 2crk s ILE 373 CO 0.35 -0.33 -0.10 -1.81 0.24 0.00 0.00 174.94 173.29 2crk s ASP 374 N -3.38 3.44 0.81 4.36 1.01 -1.26 -5.13 116.67 116.53 2crk s ASP 374 Ca 0.29 -0.91 -0.11 0.00 0.71 0.00 0.00 52.55 52.52 2crk s ASP 374 Cb -0.06 -1.23 0.08 0.00 1.01 0.00 0.00 42.92 42.72 2crk s ASP 374 CO 0.15 -0.15 1.09 -1.81 0.21 0.00 0.00 175.17 174.66 2crk s ASP 375 N 1.40 4.21 0.23 0.27 1.11 -1.26 -5.07 116.67 117.56 2crk s ASP 375 Ca -0.02 1.63 0.11 0.00 0.18 0.00 0.00 52.55 54.45 2crk s ASP 375 Cb -0.16 -2.34 -0.05 0.00 1.07 0.00 0.00 42.92 41.44 2crk s ASP 375 CO -0.08 -2.19 -0.15 0.00 1.18 0.00 0.00 175.17 173.93 2crk s MET 376 N -4.95 1.84 0.47 8.23 0.23 -1.26 -5.10 119.30 118.76 2crk s MET 376 Ca 0.62 -1.52 -0.21 0.00 -1.03 0.00 0.00 55.69 53.54 2crk s MET 376 Cb -0.17 -1.95 -0.08 0.00 -1.53 0.00 0.00 34.83 31.09 2crk s MET 376 CO 0.56 0.38 1.06 0.42 -2.03 0.00 0.00 175.02 175.41 2crk s ILE 377 N -2.06 3.65 0.29 3.16 -1.09 -1.26 -4.94 121.20 118.94 2crk s ILE 377 Ca 0.27 1.10 -0.20 0.00 -2.23 0.00 0.00 60.65 59.58 2crk s ILE 377 Cb -0.07 -3.48 -0.14 0.00 -1.58 0.00 0.00 42.46 37.19 2crk s ILE 377 CO 0.15 -0.15 0.19 -2.65 -1.23 0.00 0.00 174.94 171.25 2crk n PRO 378 N -0.75 0.00 -1.03 2.79 -0.02 -1.26 -4.06 135.00 130.68 2crk n PRO 378 Ca 0.08 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.55 2crk n PRO 378 Cb 0.51 -0.86 -0.00 0.00 -0.02 0.00 0.00 33.50 33.13 2crk n PRO 378 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2crk n ALA 379 N -0.60 -0.01 -2.44 3.55 0.00 -0.51 -5.05 120.51 115.45 2crk n ALA 379 Ca 0.12 0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 2crk n ALA 379 Cb 0.30 -0.38 -0.12 0.00 0.00 0.00 0.00 19.45 19.26 2crk n ALA 379 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2crk s GLN 380 N -1.01 1.58 0.00 0.00 -0.44 -1.11 -4.95 119.66 113.73 2crk s GLN 380 Ca 0.00 -1.31 0.00 0.00 -2.50 0.00 0.00 55.36 51.55 2crk s GLN 380 Cb 0.00 -1.98 0.00 0.00 -1.64 0.00 0.00 33.01 29.39 2crk s GLN 380 CO 0.00 0.45 0.00 1.63 0.50 0.00 0.00 175.29 177.87