#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umx n LEU 12 N 0.00 -0.62 -0.24 -2.12 7.94 -1.26 -1.34 117.00 119.37 1umx n LEU 12 Ca 0.00 1.28 0.05 0.00 -1.11 0.00 0.00 56.01 56.23 1umx n LEU 12 Cb 0.00 -0.26 0.17 0.00 0.53 0.00 0.00 43.42 43.86 1umx n LEU 12 CO 0.00 -0.96 0.90 0.00 -1.11 0.00 0.00 177.39 176.22 1umx h ALA 13 N 0.05 0.88 0.00 1.96 0.00 -2.05 0.57 119.26 120.66 1umx h ALA 13 Ca 0.09 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1umx h ALA 13 Cb 0.24 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1umx h ALA 13 CO -0.55 -0.36 0.00 0.66 0.00 0.00 0.00 179.25 179.00 1umx h SER 14 N 0.22 0.00 -0.02 0.00 4.64 -1.65 -0.20 113.55 116.54 1umx h SER 14 Ca 0.40 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.64 1umx h SER 14 Cb 0.68 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1umx h SER 14 CO -0.53 0.00 -0.30 0.25 -0.87 0.00 0.00 176.83 175.38 1umx h LEU 15 N 0.00 0.30 -0.72 5.97 7.12 0.85 -3.00 115.31 125.83 1umx h LEU 15 Ca 0.00 -0.73 0.01 0.00 0.13 0.00 0.00 57.88 57.30 1umx h LEU 15 Cb 0.67 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.67 1umx h LEU 15 CO 0.00 0.98 0.47 0.00 -0.13 0.00 0.00 178.44 179.76 1umx h ALA 16 N 0.32 0.92 0.00 1.25 0.00 0.46 -0.76 119.26 121.44 1umx h ALA 16 Ca -0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1umx h ALA 16 Cb 1.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1umx h ALA 16 CO 0.06 0.31 -0.41 0.97 0.00 0.00 0.00 179.25 180.17 1umx h ILE 17 N 0.95 0.84 0.08 0.00 6.09 -1.12 -1.64 117.51 122.70 1umx h ILE 17 Ca 0.27 -1.76 -0.14 0.00 -1.37 0.00 0.00 64.86 61.86 1umx h ILE 17 Cb -0.08 2.11 0.01 0.00 0.47 0.00 0.00 36.82 39.34 1umx h ILE 17 CO -0.07 0.40 -0.58 0.22 -3.07 0.00 0.00 178.15 175.05 1umx h TYR 18 N 0.00 0.44 -0.18 2.19 3.20 -1.33 -2.83 116.97 118.46 1umx h TYR 18 Ca -0.00 -0.29 0.05 0.00 3.14 0.00 0.00 58.73 61.62 1umx h TYR 18 Cb 1.08 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.26 1umx h TYR 18 CO 0.00 1.19 -0.20 0.77 -1.64 0.00 0.00 178.16 178.28 1umx h SER 19 N -0.43 -0.63 -0.72 -2.11 0.02 -1.08 -2.62 113.55 105.98 1umx h SER 19 Ca -0.09 0.11 0.16 0.00 -0.84 0.00 0.00 61.79 61.13 1umx h SER 19 Cb 1.40 0.30 -0.13 0.00 0.14 0.00 0.00 62.40 64.12 1umx h SER 19 CO 0.11 -0.24 -0.02 0.15 -1.14 0.00 0.00 176.83 175.69 1umx h PHE 20 N -0.23 -0.09 0.00 3.45 3.57 -1.33 0.29 116.94 122.60 1umx h PHE 20 Ca 0.12 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1umx h PHE 20 Cb 0.40 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1umx h PHE 20 CO -0.33 -0.23 -0.13 -1.49 -2.23 0.00 0.00 178.31 173.90 1umx h TRP 21 N 0.09 0.00 -0.05 0.41 4.06 -1.21 -0.27 115.95 118.97 1umx h TRP 21 Ca 0.38 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 61.19 1umx h TRP 21 Cb 0.65 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.82 1umx h TRP 21 CO -0.43 0.13 -0.53 0.82 -3.56 0.00 0.00 178.44 174.86 1umx h ILE 22 N 0.00 1.40 -0.15 1.49 2.04 -0.29 -2.69 117.51 119.31 1umx h ILE 22 Ca -0.00 -1.93 0.05 0.00 1.00 0.00 0.00 64.86 63.98 1umx h ILE 22 Cb 0.24 2.38 -0.07 0.00 -0.74 0.00 0.00 36.82 38.63 1umx h ILE 22 CO 0.02 0.57 -0.36 0.15 0.00 0.00 0.00 178.15 178.52 1umx h PHE 23 N 0.00 -1.01 -0.94 1.37 3.57 -0.84 -2.35 116.94 116.74 1umx h PHE 23 Ca -0.05 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.69 1umx h PHE 23 Cb 1.21 0.47 -0.08 0.00 2.79 0.00 0.00 35.95 40.34 1umx h PHE 23 CO 0.13 -0.43 0.61 1.25 -2.23 0.00 0.00 178.31 177.64 1umx h LEU 24 N -0.43 0.55 -0.32 0.59 5.85 -1.02 -0.32 115.31 120.22 1umx h LEU 24 Ca 0.09 0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.67 1umx h LEU 24 Cb 0.58 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1umx h LEU 24 CO -0.38 0.21 -0.75 0.00 -0.34 0.00 0.00 178.44 177.18 1umx h ALA 25 N 1.62 0.49 -0.27 1.25 0.00 -1.09 0.68 119.26 121.94 1umx h ALA 25 Ca 0.51 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1umx h ALA 25 Cb 1.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1umx h ALA 25 CO -0.24 0.74 0.15 0.78 0.00 0.00 0.00 179.25 180.67 1umx h GLY 26 N 1.04 0.41 0.73 0.00 0.00 -0.63 -1.06 103.07 103.55 1umx h GLY 26 Ca -0.04 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.13 1umx h GLY 26 CO 0.14 0.18 -0.03 -2.00 0.00 0.00 0.00 176.54 174.83 1umx h LEU 27 N 0.32 -0.12 -0.94 3.11 5.85 -1.01 0.31 115.31 122.83 1umx h LEU 27 Ca 0.10 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1umx h LEU 27 Cb 0.07 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1umx h LEU 27 CO -0.01 -0.04 0.62 0.40 -0.34 0.00 0.00 178.44 179.06 1umx h ILE 28 N 0.01 1.25 0.13 4.05 2.04 -0.69 -2.22 117.51 122.08 1umx h ILE 28 Ca 0.07 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1umx h ILE 28 Cb 0.10 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.01 1umx h ILE 28 CO -0.14 0.24 -0.26 0.22 0.00 0.00 0.00 178.15 178.21 1umx h TYR 29 N 1.28 -0.69 -0.70 1.37 3.20 -0.35 -0.52 116.97 120.57 1umx h TYR 29 Ca 0.34 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.29 1umx h TYR 29 Cb -0.13 0.29 -0.08 0.00 1.54 0.00 0.00 36.73 38.34 1umx h TYR 29 CO -0.00 -0.36 -0.41 0.98 -1.64 0.00 0.00 178.16 176.72 1umx n TYR 30 N -5.38 -0.31 0.07 -3.82 9.36 0.10 -1.08 117.16 116.11 1umx n TYR 30 Ca -0.07 0.87 0.00 0.00 3.32 0.00 0.00 57.90 62.03 1umx n TYR 30 Cb 0.29 -0.55 0.00 0.00 -0.63 0.00 0.00 39.34 38.45 1umx n TYR 30 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1umx n LEU 31 N -4.81 -0.98 -0.02 2.98 7.94 -1.15 -0.73 117.00 120.22 1umx n LEU 31 Ca 0.01 0.26 -0.13 0.00 -1.11 0.00 0.00 56.01 55.05 1umx n LEU 31 Cb 0.18 1.15 -0.09 0.00 0.53 0.00 0.00 43.42 45.20 1umx n LEU 31 CO -0.11 -0.35 0.66 -0.61 -1.11 0.00 0.00 177.39 175.86 1umx h GLN 32 N 0.00 0.12 -0.63 1.96 5.75 -0.75 -2.56 115.11 118.99 1umx h GLN 32 Ca 0.00 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1umx h GLN 32 Cb 0.00 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1umx h GLN 32 CO 0.00 0.52 0.32 1.79 -2.65 0.00 0.00 178.83 178.81 1umx h THR 33 N -0.29 1.21 -0.99 2.39 1.35 -0.65 0.02 112.91 115.94 1umx h THR 33 Ca 0.01 -0.56 0.26 0.00 -0.55 0.00 0.00 66.41 65.57 1umx h THR 33 Cb 0.49 0.43 -0.07 0.00 -1.73 0.00 0.00 68.15 67.27 1umx h THR 33 CO 0.01 0.23 0.67 -0.33 -0.25 0.00 0.00 175.52 175.86 1umx h GLU 34 N 0.86 0.25 -0.36 4.72 4.39 -0.91 0.17 114.58 123.69 1umx h GLU 34 Ca 0.22 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1umx h GLU 34 Cb 0.08 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1umx h GLU 34 CO -0.03 0.16 0.00 0.09 -1.16 0.00 0.00 179.01 178.07 1umx n ASN 35 N -4.45 1.34 -0.87 1.42 4.13 -0.01 -3.13 115.26 113.68 1umx n ASN 35 Ca 0.22 -2.06 0.11 0.00 1.68 0.00 0.00 54.58 54.53 1umx n ASN 35 Cb 0.90 -0.23 0.09 0.00 -1.54 0.00 0.00 39.78 39.00 1umx n ASN 35 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1umx n MET 36 N 0.10 2.06 0.00 3.52 2.81 0.59 -4.57 117.12 121.63 1umx n MET 36 Ca 0.07 -1.79 0.00 0.00 -1.81 0.00 0.00 57.70 54.17 1umx n MET 36 Cb 0.25 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 1umx n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1umx n ARG 37 N 1.19 0.00 -4.09 0.03 1.74 -1.19 -4.39 116.66 109.96 1umx n ARG 37 Ca 0.13 0.17 -0.09 0.00 -0.77 0.00 0.00 57.85 57.28 1umx n ARG 37 Cb 0.55 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.38 1umx n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1umx s GLU 38 N -2.30 0.62 0.00 5.56 0.41 -1.26 -4.15 118.70 117.57 1umx s GLU 38 Ca 0.00 -1.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.48 1umx s GLU 38 Cb 0.00 -0.02 0.00 0.00 -1.78 0.00 0.00 34.13 32.33 1umx s GLU 38 CO 0.00 -0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 1umx n GLY 39 N 0.52 2.91 3.69 -1.39 0.00 -1.26 -4.98 105.19 104.67 1umx n GLY 39 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1umx n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1umx s TYR 40 N -2.47 2.91 0.63 1.61 1.51 -1.26 -4.38 117.35 115.89 1umx s TYR 40 Ca 0.00 -0.10 -0.17 0.00 -1.01 0.00 0.00 57.07 55.79 1umx s TYR 40 Cb 0.00 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1umx s TYR 40 CO 0.00 0.51 1.13 -2.14 -1.11 0.00 0.00 175.55 173.95 1umx s PRO 41 N -2.88 2.91 0.79 -1.71 0.02 -1.26 -4.86 135.00 128.00 1umx s PRO 41 Ca 0.28 1.53 -0.15 0.00 0.02 0.00 0.00 61.00 62.68 1umx s PRO 41 Cb -0.10 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.49 1umx s PRO 41 CO 0.19 -1.19 0.84 1.28 -0.33 0.00 0.00 177.00 177.79 1umx n LEU 42 N -2.05 2.52 -4.28 -5.54 4.77 -1.26 -4.92 117.00 106.23 1umx n LEU 42 Ca 0.11 0.57 -0.15 0.00 -0.03 0.00 0.00 56.01 56.51 1umx n LEU 42 Cb 0.51 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.14 1umx n LEU 42 CO 0.46 -2.46 -0.26 -1.61 -1.33 0.00 0.00 177.39 172.19 1umx s GLU 43 N -3.48 1.32 0.36 3.23 2.02 -1.26 -2.03 118.70 118.85 1umx s GLU 43 Ca 0.69 -1.70 0.04 0.00 0.02 0.00 0.00 54.97 54.01 1umx s GLU 43 Cb -0.31 -0.13 -0.01 0.00 0.10 0.00 0.00 34.13 33.78 1umx s GLU 43 CO 0.55 -0.30 0.52 -0.80 0.02 0.00 0.00 175.26 175.26 1umx s ASN 44 N -3.26 6.03 0.10 -0.19 0.01 0.12 -4.66 114.94 113.08 1umx s ASN 44 Ca 0.36 0.08 0.04 0.00 -0.71 0.00 0.00 52.86 52.64 1umx s ASN 44 Cb 0.07 -1.53 0.22 0.00 0.41 0.00 0.00 41.25 40.43 1umx s ASN 44 CO 0.12 -0.44 0.97 -0.62 -1.51 0.00 0.00 177.10 175.62 1umx n GLU 45 N -1.76 0.03 -0.00 -0.60 1.02 -1.26 -0.58 120.64 117.49 1umx n GLU 45 Ca -0.02 0.39 0.07 0.00 -0.02 0.00 0.00 57.16 57.59 1umx n GLU 45 Cb 0.58 -1.80 -0.09 0.00 -0.02 0.00 0.00 31.44 30.10 1umx n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1umx n ASP 46 N -1.54 0.81 0.00 1.62 5.68 -1.26 -4.99 116.55 116.87 1umx n ASP 46 Ca -0.00 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 1umx n ASP 46 Cb 0.22 1.10 0.00 0.00 -1.14 0.00 0.00 41.12 41.30 1umx n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1umx n GLY 47 N 1.40 2.00 3.83 6.12 0.00 0.25 -5.06 105.19 113.73 1umx n GLY 47 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1umx n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1umx s THR 48 N -1.97 4.44 0.39 2.61 -4.23 -1.26 -4.75 115.64 110.86 1umx s THR 48 Ca 0.00 1.22 -0.28 0.00 -1.18 0.00 0.00 61.69 61.46 1umx s THR 48 Cb 0.00 -3.67 -0.11 0.00 1.34 0.00 0.00 72.50 70.07 1umx s THR 48 CO 0.00 -0.61 1.48 -2.84 -0.54 0.00 0.00 174.62 172.11 1umx s PRO 49 N -3.93 4.05 0.53 3.99 0.02 -1.26 -0.70 135.00 137.70 1umx s PRO 49 Ca 0.60 2.55 -0.16 0.00 0.02 0.00 0.00 61.00 64.01 1umx s PRO 49 Cb -0.10 -2.93 -0.07 0.00 0.02 0.00 0.00 34.50 31.42 1umx s PRO 49 CO 0.29 -0.57 1.00 0.00 -0.33 0.00 0.00 177.00 177.39 1umx s ALA 50 N -1.13 3.02 0.00 -1.55 0.00 -0.86 -4.68 121.76 116.56 1umx s ALA 50 Ca 0.54 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1umx s ALA 50 Cb -0.46 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1umx s ALA 50 CO 0.62 -0.33 0.63 0.00 0.00 0.00 0.00 175.76 176.68 1umx n ALA 51 N -1.68 -0.31 -2.64 0.00 0.00 -1.26 -4.50 120.51 110.13 1umx n ALA 51 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 1umx n ALA 51 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 1umx n ALA 51 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1umx s ASN 52 N -2.31 6.92 0.00 0.00 -0.87 -1.26 -4.81 114.94 112.60 1umx s ASN 52 Ca 0.00 1.02 0.22 0.00 -1.57 0.00 0.00 52.86 52.54 1umx s ASN 52 Cb 0.00 -2.54 0.54 0.00 -0.02 0.00 0.00 41.25 39.22 1umx s ASN 52 CO 0.00 -0.89 1.45 0.00 -2.57 0.00 0.00 177.10 175.08 1umx n GLN 53 N 6.91 2.20 -0.02 -0.60 1.13 -1.26 -4.95 117.38 120.79 1umx n GLN 53 Ca 0.12 -1.81 0.00 0.00 -1.94 0.00 0.00 57.00 53.37 1umx n GLN 53 Cb 0.47 -1.46 -0.00 0.00 0.11 0.00 0.00 30.24 29.36 1umx n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1umx n GLY 54 N 1.35 -2.12 0.17 1.08 0.00 -1.26 -4.68 105.19 99.73 1umx n GLY 54 Ca 0.18 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.83 1umx n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1umx h PRO 55 N 0.00 0.00 -5.91 1.61 0.13 -2.03 -3.46 132.00 122.34 1umx h PRO 55 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1umx h PRO 55 Cb 0.01 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.08 1umx h PRO 55 CO 0.00 0.21 -0.13 -0.06 -0.23 0.00 0.00 178.00 177.79 1umx s PHE 56 N -3.11 3.63 0.82 1.56 0.08 -1.26 -5.07 117.98 114.63 1umx s PHE 56 Ca 0.04 1.00 -0.11 0.00 0.12 0.00 0.00 56.93 57.98 1umx s PHE 56 Cb 0.07 -2.48 0.09 0.00 -0.57 0.00 0.00 43.02 40.13 1umx s PHE 56 CO 0.73 0.37 1.09 -1.25 -0.10 0.00 0.00 175.22 176.06 1umx s PRO 57 N -0.16 1.86 0.38 0.24 0.04 -1.26 -5.02 135.00 131.07 1umx s PRO 57 Ca 0.26 0.78 -0.24 0.00 0.04 0.00 0.00 61.00 61.84 1umx s PRO 57 Cb -0.16 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1umx s PRO 57 CO 0.13 -1.81 0.97 -1.17 0.04 0.00 0.00 177.00 175.15 1umx s LEU 58 N -5.94 4.16 0.63 -3.56 2.96 -1.26 -4.82 118.68 110.85 1umx s LEU 58 Ca 0.62 1.82 -0.10 0.00 -0.22 0.00 0.00 54.13 56.24 1umx s LEU 58 Cb -0.16 -4.24 -0.02 0.00 0.50 0.00 0.00 46.19 42.27 1umx s LEU 58 CO 0.55 -0.26 1.02 -2.16 -1.32 0.00 0.00 176.35 174.19 1umx s PRO 59 N -2.54 3.38 0.46 0.98 0.04 -1.26 -5.01 135.00 131.05 1umx s PRO 59 Ca 0.56 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 61.96 1umx s PRO 59 Cb -0.16 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 1umx s PRO 59 CO 0.21 -0.66 1.28 0.15 0.04 0.00 0.00 177.00 178.01 1umx s LYS 60 N -5.18 3.68 0.78 4.56 1.02 -1.26 -4.67 119.74 118.67 1umx s LYS 60 Ca 0.55 2.06 -0.14 0.00 0.02 0.00 0.00 55.97 58.46 1umx s LYS 60 Cb -0.11 -2.51 0.07 0.00 -0.52 0.00 0.00 37.83 34.75 1umx s LYS 60 CO 0.52 -0.70 1.20 -2.30 -0.92 0.00 0.00 175.35 173.14 1umx n PRO 61 N -0.38 0.32 -4.02 -1.68 -0.02 -1.26 -4.76 135.00 123.20 1umx n PRO 61 Ca 0.07 0.18 -0.08 0.00 -2.02 0.00 0.00 63.50 61.64 1umx n PRO 61 Cb 0.45 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 1umx n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1umx s LYS 62 N -3.97 0.45 -0.16 -0.52 0.00 -0.71 -4.97 119.74 109.87 1umx s LYS 62 Ca 0.75 -0.85 0.01 0.00 0.00 0.00 0.00 55.97 55.88 1umx s LYS 62 Cb -0.31 0.16 0.02 0.00 0.00 0.00 0.00 37.83 37.71 1umx s LYS 62 CO 0.49 -0.08 -0.15 0.99 0.00 0.00 0.00 175.35 176.60 1umx s THR 63 N -2.46 1.68 0.05 3.79 2.01 -1.26 -2.00 115.64 117.44 1umx s THR 63 Ca -0.07 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 1umx s THR 63 Cb -0.03 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.85 1umx s THR 63 CO -0.05 0.45 0.43 -0.36 -0.69 0.00 0.00 174.62 174.41 1umx s PHE 64 N 1.44 3.67 -0.20 4.92 0.08 0.34 -4.90 117.98 123.34 1umx s PHE 64 Ca 0.04 0.95 -0.06 0.00 0.12 0.00 0.00 56.93 57.98 1umx s PHE 64 Cb -0.13 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.02 1umx s PHE 64 CO -0.11 0.58 0.03 0.42 -0.10 0.00 0.00 175.22 176.04 1umx s ILE 65 N -1.23 4.35 0.00 0.64 1.01 -1.26 -0.10 121.20 124.62 1umx s ILE 65 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1umx s ILE 65 Cb -0.16 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1umx s ILE 65 CO 0.16 0.43 0.00 0.18 0.00 0.00 0.00 174.94 175.71 1umx n LEU 66 N 4.00 -0.59 -0.38 2.97 4.77 -1.26 -5.04 117.00 121.48 1umx n LEU 66 Ca -0.17 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.80 1umx n LEU 66 Cb 0.52 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1umx n LEU 66 CO 0.33 0.00 0.59 -0.65 -1.33 0.00 0.00 177.39 176.33 1umx h PRO 67 N 0.00 -0.00 -2.19 3.23 0.11 -1.95 -3.35 132.00 127.85 1umx h PRO 67 Ca 0.00 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 1umx h PRO 67 Cb 0.09 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 30.79 1umx h PRO 67 CO 0.00 -0.00 -0.68 0.72 -0.21 0.00 0.00 178.00 177.83 1umx n HIS 68 N -5.47 3.21 -0.91 0.65 8.25 -1.26 -4.75 115.22 114.94 1umx n HIS 68 Ca 0.10 -4.05 0.00 0.00 -0.26 0.00 0.00 57.72 53.51 1umx n HIS 68 Cb 0.40 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1umx n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1umx n GLY 69 N 0.62 0.45 0.00 -1.41 0.00 -1.26 -4.86 105.19 98.74 1umx n GLY 69 Ca 0.29 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.43 1umx n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1umx n ARG 70 N -1.72 0.02 0.00 1.61 1.74 -1.26 -5.00 116.66 112.04 1umx n ARG 70 Ca 0.00 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1umx n ARG 70 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1umx n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1umx n GLY 71 N 1.05 0.19 3.22 -0.13 0.00 -1.26 -5.01 105.19 103.25 1umx n GLY 71 Ca 0.06 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1umx n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1umx s THR 72 N 0.00 0.07 -0.01 2.61 2.01 -1.26 -4.15 115.64 114.91 1umx s THR 72 Ca 0.00 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1umx s THR 72 Cb 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.84 1umx s THR 72 CO 0.00 -0.32 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.34 1umx s LEU 73 N -1.54 1.87 -0.12 4.42 1.98 0.86 -4.96 118.68 121.18 1umx s LEU 73 Ca -0.11 -0.09 -0.01 0.00 -2.89 0.00 0.00 54.13 51.03 1umx s LEU 73 Cb -0.04 -0.29 0.03 0.00 0.66 0.00 0.00 46.19 46.55 1umx s LEU 73 CO 0.02 0.04 -0.06 -0.89 -1.89 0.00 0.00 176.35 173.57 1umx s THR 74 N 0.08 0.92 0.00 3.68 2.01 -1.26 -0.50 115.64 120.57 1umx s THR 74 Ca -0.00 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1umx s THR 74 Cb -0.04 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1umx s THR 74 CO -0.00 0.29 -0.12 0.68 -0.69 0.00 0.00 174.62 174.77 1umx s VAL 75 N 1.74 0.95 0.64 3.82 -7.23 -0.85 -3.81 120.40 115.66 1umx s VAL 75 Ca 0.04 -0.60 -0.18 0.00 -1.81 0.00 0.00 61.98 59.43 1umx s VAL 75 Cb -0.13 -0.81 -0.02 0.00 0.56 0.00 0.00 36.38 35.98 1umx s VAL 75 CO -0.08 0.20 1.20 -2.65 -0.31 0.00 0.00 175.10 173.47 1umx n PRO 76 N 2.60 1.04 -3.92 4.82 -0.02 -1.26 -1.73 135.00 136.53 1umx n PRO 76 Ca -0.15 0.41 -0.09 0.00 -2.02 0.00 0.00 63.50 61.66 1umx n PRO 76 Cb 0.56 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1umx n PRO 76 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1umx s GLY 77 N -1.36 0.34 -0.06 -1.23 0.00 -1.25 -4.87 107.32 98.90 1umx s GLY 77 Ca 0.81 -0.68 -0.36 0.00 0.00 0.00 0.00 44.72 44.49 1umx s GLY 77 CO 0.42 -0.40 1.70 -1.55 0.00 0.00 0.00 173.10 173.27 1umx n PRO 78 N -0.45 1.74 -3.78 2.90 -0.04 -1.26 -4.92 135.00 129.19 1umx n PRO 78 Ca -0.03 0.63 -0.35 0.00 -0.04 0.00 0.00 63.50 63.71 1umx n PRO 78 Cb 0.60 -2.39 -0.08 0.00 -0.04 0.00 0.00 33.50 31.59 1umx n PRO 78 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1umx s GLU 79 N 2.74 4.15 -0.19 0.54 0.41 -1.26 -5.09 118.70 119.99 1umx s GLU 79 Ca 0.90 -0.24 -0.13 0.00 -0.41 0.00 0.00 54.97 55.09 1umx s GLU 79 Cb -0.83 -3.38 0.06 0.00 -1.78 0.00 0.00 34.13 28.20 1umx s GLU 79 CO 0.52 0.30 0.48 0.45 -0.49 0.00 0.00 175.26 176.52 1umx s SER 80 N 0.35 -0.57 0.38 -0.19 0.15 -1.26 -5.10 113.70 107.46 1umx s SER 80 Ca 0.07 1.02 -0.27 0.00 0.70 0.00 0.00 55.95 57.47 1umx s SER 80 Cb -0.11 0.95 -0.09 0.00 -1.71 0.00 0.00 66.02 65.06 1umx s SER 80 CO -0.02 -0.19 1.30 -1.61 1.20 0.00 0.00 173.24 173.92 1umx s GLU 81 N 0.96 4.08 -0.74 5.44 0.41 -1.26 -4.87 118.70 122.72 1umx s GLU 81 Ca -0.06 2.16 0.03 0.00 -0.41 0.00 0.00 54.97 56.69 1umx s GLU 81 Cb -0.06 -2.84 0.33 0.00 -1.78 0.00 0.00 34.13 29.78 1umx s GLU 81 CO -0.08 -0.40 1.25 -0.25 -0.49 0.00 0.00 175.26 175.29 1umx n ASP 82 N 0.31 5.48 -3.57 -0.19 8.00 -1.26 -4.95 116.55 120.37 1umx n ASP 82 Ca 0.03 -3.68 -0.07 0.00 0.71 0.00 0.00 54.79 51.78 1umx n ASP 82 Cb 0.43 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 1umx n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1umx s ARG 83 N -3.73 0.48 0.28 -1.24 1.70 -1.26 -4.93 118.95 110.24 1umx s ARG 83 Ca 0.45 -0.06 -0.29 0.00 -0.47 0.00 0.00 55.73 55.35 1umx s ARG 83 Cb 0.24 0.22 -0.10 0.00 -0.57 0.00 0.00 34.95 34.75 1umx s ARG 83 CO -0.13 -0.19 1.15 -1.25 -1.08 0.00 0.00 175.30 173.81 1umx s PRO 84 N -2.01 4.57 -0.29 3.89 0.04 -1.26 -5.03 135.00 134.91 1umx s PRO 84 Ca 0.05 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.97 1umx s PRO 84 Cb -0.01 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.41 1umx s PRO 84 CO -0.04 0.10 -0.01 0.42 0.04 0.00 0.00 177.00 177.51 1umx s ILE 85 N -1.08 2.98 -1.30 0.56 1.01 -1.26 -5.03 121.20 117.08 1umx s ILE 85 Ca 0.46 -1.30 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 1umx s ILE 85 Cb -0.34 -2.67 0.09 0.00 0.01 0.00 0.00 42.46 39.55 1umx s ILE 85 CO 0.43 -0.04 1.75 0.00 0.00 0.00 0.00 174.94 177.08 1umx n ALA 86 N 4.64 3.99 -2.38 9.38 0.00 -1.26 -4.90 120.51 129.97 1umx n ALA 86 Ca -0.14 -3.96 -0.10 0.00 0.00 0.00 0.00 53.44 49.23 1umx n ALA 86 Cb 0.44 -3.45 -0.10 0.00 0.00 0.00 0.00 19.45 16.34 1umx n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1umx s LEU 87 N 3.15 2.43 0.03 0.00 1.43 -1.26 -2.27 118.68 122.18 1umx s LEU 87 Ca 0.50 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1umx s LEU 87 Cb 0.04 -0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.21 1umx s LEU 87 CO 0.04 -0.41 -0.09 0.00 0.23 0.00 0.00 176.35 176.11 1umx s ALA 88 N -2.98 0.75 0.69 4.21 0.00 0.57 -4.86 121.76 120.15 1umx s ALA 88 Ca 0.04 -0.66 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 1umx s ALA 88 Cb 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1umx s ALA 88 CO -0.04 0.10 1.24 1.03 0.00 0.00 0.00 175.76 178.09 1umx s ARG 89 N -1.07 2.34 0.00 0.00 0.52 -1.26 -0.89 118.95 118.59 1umx s ARG 89 Ca -0.03 1.89 0.04 0.00 -0.52 0.00 0.00 55.73 57.11 1umx s ARG 89 Cb -0.07 -1.84 0.10 0.00 0.52 0.00 0.00 34.95 33.66 1umx s ARG 89 CO 0.01 -1.71 1.07 0.25 0.02 0.00 0.00 175.30 174.93 1umx n THR 90 N -2.33 0.96 -3.69 0.02 -2.24 -1.25 -4.77 114.28 100.98 1umx n THR 90 Ca 0.14 -0.98 -0.10 0.00 -2.27 0.00 0.00 64.05 60.85 1umx n THR 90 Cb 0.49 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 1umx n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1umx s ALA 91 N -0.97 -1.15 -1.91 6.98 0.00 -1.26 -5.02 121.76 118.42 1umx s ALA 91 Ca 0.08 -0.08 0.14 0.00 0.00 0.00 0.00 51.96 52.10 1umx s ALA 91 Cb 0.04 0.86 0.40 0.00 0.00 0.00 0.00 23.12 24.43 1umx s ALA 91 CO 0.06 -0.85 1.33 1.33 0.00 0.00 0.00 175.76 177.62 1umx n VAL 92 N -0.38 0.66 -3.96 0.00 0.24 -1.26 -4.93 118.33 108.71 1umx n VAL 92 Ca -0.10 -0.62 -0.08 0.00 -2.04 0.00 0.00 64.34 61.50 1umx n VAL 92 Cb 0.62 0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 33.17 1umx n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1umx s SER 93 N -0.97 0.27 0.16 -1.34 1.04 -1.26 -5.12 113.70 106.49 1umx s SER 93 Ca 0.30 -0.74 -0.33 0.00 0.48 0.00 0.00 55.95 55.67 1umx s SER 93 Cb 0.16 0.25 -0.16 0.00 0.10 0.00 0.00 66.02 66.37 1umx s SER 93 CO 0.20 -0.61 1.07 -0.62 0.98 0.00 0.00 173.24 174.26 1umx n GLU 94 N 0.28 0.91 0.00 4.02 1.02 -1.26 -4.02 120.64 121.59 1umx n GLU 94 Ca -0.16 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1umx n GLU 94 Cb 0.61 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1umx n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1umx n GLY 95 N 1.91 1.60 3.99 0.62 0.00 -1.26 -5.11 105.19 106.95 1umx n GLY 95 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 1umx n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1umx s PHE 96 N -1.71 2.60 0.72 1.61 0.40 -1.26 -5.10 117.98 115.25 1umx s PHE 96 Ca 0.00 -0.46 -0.14 0.00 -0.60 0.00 0.00 56.93 55.73 1umx s PHE 96 Cb 0.00 -2.32 0.03 0.00 0.51 0.00 0.00 43.02 41.24 1umx s PHE 96 CO 0.00 -0.47 1.15 -2.14 0.70 0.00 0.00 175.22 174.46 1umx s PRO 97 N -4.36 2.32 -0.25 0.24 0.02 -1.26 -4.92 135.00 126.78 1umx s PRO 97 Ca 0.55 1.52 -0.04 0.00 0.02 0.00 0.00 61.00 63.05 1umx s PRO 97 Cb -0.08 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.57 1umx s PRO 97 CO 0.33 -1.65 -0.01 -1.01 -0.33 0.00 0.00 177.00 174.33 1umx s HIS 98 N -2.29 3.06 0.39 6.54 3.76 -1.26 -3.82 115.29 121.66 1umx s HIS 98 Ca 0.69 -1.18 -0.24 0.00 -0.15 0.00 0.00 55.06 54.19 1umx s HIS 98 Cb -0.24 -2.13 -0.10 0.00 1.11 0.00 0.00 32.58 31.22 1umx s HIS 98 CO 0.46 -0.62 0.98 0.00 -0.85 0.00 0.00 174.74 174.70 1umx s ALA 99 N 1.43 3.10 0.20 -1.40 0.00 -0.07 -4.72 121.76 120.30 1umx s ALA 99 Ca 0.03 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1umx s ALA 99 Cb -0.16 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 1umx s ALA 99 CO -0.02 0.04 1.41 -2.14 0.00 0.00 0.00 175.76 175.05 1umx s PRO 100 N -2.61 4.30 0.00 0.00 0.02 -1.26 -0.31 135.00 135.14 1umx s PRO 100 Ca 0.57 2.20 0.25 0.00 0.02 0.00 0.00 61.00 64.04 1umx s PRO 100 Cb -0.16 -3.16 0.55 0.00 0.02 0.00 0.00 34.50 31.75 1umx s PRO 100 CO 0.21 -0.40 1.46 0.25 -0.33 0.00 0.00 177.00 178.19 1umx n THR 101 N 2.91 0.06 0.00 0.99 -2.24 -0.96 -4.87 114.28 110.18 1umx n THR 101 Ca 0.08 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1umx n THR 101 Cb 0.41 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1umx n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1umx n GLY 102 N 1.29 4.85 3.48 3.38 0.00 -1.26 -5.07 105.19 111.86 1umx n GLY 102 Ca 0.16 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1umx n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1umx s ASP 103 N 1.12 5.95 0.37 1.61 -1.08 -1.26 -4.98 116.67 118.40 1umx s ASP 103 Ca 0.00 -0.61 0.05 0.00 -0.52 0.00 0.00 52.55 51.47 1umx s ASP 103 Cb 0.00 -2.11 0.71 0.00 -1.46 0.00 0.00 42.92 40.06 1umx s ASP 103 CO 0.00 -0.29 1.96 1.55 0.52 0.00 0.00 175.17 178.91 1umx h PRO 104 N 8.49 0.57 0.30 4.34 0.13 -1.94 0.66 132.00 144.54 1umx h PRO 104 Ca -0.30 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1umx h PRO 104 Cb 1.14 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1umx h PRO 104 CO 0.66 0.48 -0.18 0.52 -0.23 0.00 0.00 178.00 179.24 1umx h MET 105 N 0.57 -0.44 -0.35 0.86 2.86 -1.93 -0.08 114.93 116.42 1umx h MET 105 Ca 0.14 0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 1umx h MET 105 Cb 0.12 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1umx h MET 105 CO -0.01 -0.29 -0.05 0.87 1.06 0.00 0.00 176.91 178.49 1umx h LYS 106 N -0.46 0.64 0.00 1.72 1.79 -1.77 -3.23 116.57 115.26 1umx h LYS 106 Ca -0.03 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1umx h LYS 106 Cb 0.38 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1umx h LYS 106 CO 0.03 0.79 0.00 -0.44 -1.08 0.00 0.00 179.45 178.75 1umx h ASP 107 N 0.44 0.00 -2.10 0.86 3.45 0.34 -3.47 116.42 115.93 1umx h ASP 107 Ca 0.09 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 1umx h ASP 107 Cb 0.53 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1umx h ASP 107 CO 0.03 0.00 -0.01 0.61 -1.57 0.00 0.00 179.24 178.29 1umx n GLY 108 N 0.29 0.44 3.47 2.75 0.00 -0.05 -4.75 105.19 107.33 1umx n GLY 108 Ca 0.01 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 1umx n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1umx s VAL 109 N -3.01 1.31 0.00 1.61 -7.23 -1.16 -3.96 120.40 107.97 1umx s VAL 109 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1umx s VAL 109 Cb -0.00 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1umx s VAL 109 CO 0.01 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1umx n GLY 110 N -0.71 1.02 0.00 2.32 0.00 -1.26 -0.83 105.19 105.74 1umx n GLY 110 Ca -0.03 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1umx n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1umx n PRO 111 N 2.08 0.27 -0.30 1.61 -0.04 -1.26 -1.73 135.00 135.63 1umx n PRO 111 Ca 0.00 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1umx n PRO 111 Cb 0.00 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.24 1umx n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1umx n ALA 112 N -1.05 2.40 -0.96 0.55 0.00 -0.01 -2.11 120.51 119.33 1umx n ALA 112 Ca 0.07 -1.18 -0.32 0.00 0.00 0.00 0.00 53.44 52.01 1umx n ALA 112 Cb 0.04 -0.91 0.14 0.00 0.00 0.00 0.00 19.45 18.72 1umx n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1umx s SER 113 N -1.21 3.50 0.04 0.00 0.01 -0.71 -4.09 113.70 111.24 1umx s SER 113 Ca 0.45 2.18 -0.02 0.00 1.31 0.00 0.00 55.95 59.87 1umx s SER 113 Cb 0.25 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 1umx s SER 113 CO 0.33 -2.72 -0.01 -1.66 0.41 0.00 0.00 173.24 169.60 1umx s TRP 114 N -2.51 0.38 0.15 2.43 1.48 -1.26 -4.40 118.94 115.21 1umx s TRP 114 Ca 0.68 -0.80 0.03 0.00 -1.06 0.00 0.00 56.10 54.95 1umx s TRP 114 Cb -0.24 -0.28 -0.04 0.00 -1.16 0.00 0.00 33.47 31.76 1umx s TRP 114 CO 0.54 -0.32 0.26 0.14 -4.06 0.00 0.00 176.95 173.52 1umx s VAL 115 N -2.94 5.23 -1.39 -0.66 -7.23 -1.26 -4.99 120.40 107.15 1umx s VAL 115 Ca -0.02 -0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 59.27 1umx s VAL 115 Cb 0.01 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 33.29 1umx s VAL 115 CO -0.06 -0.09 2.16 0.00 -0.31 0.00 0.00 175.10 176.79 1umx n ALA 116 N -0.51 5.16 -1.56 1.32 0.00 -1.26 -4.84 120.51 118.82 1umx n ALA 116 Ca -0.07 -3.83 -0.29 0.00 0.00 0.00 0.00 53.44 49.25 1umx n ALA 116 Cb 0.54 -3.55 0.16 0.00 0.00 0.00 0.00 19.45 16.59 1umx n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1umx s ARG 117 N 3.46 0.78 0.38 0.00 0.52 -1.26 -4.94 118.95 117.90 1umx s ARG 117 Ca 0.49 0.11 -0.27 0.00 -0.52 0.00 0.00 55.73 55.54 1umx s ARG 117 Cb 0.13 -1.81 -0.11 0.00 0.52 0.00 0.00 34.95 33.67 1umx s ARG 117 CO -0.06 -2.40 1.38 0.54 0.02 0.00 0.00 175.30 174.78 1umx n ARG 118 N -3.88 2.34 -1.05 3.54 1.74 -1.26 -4.07 116.66 114.03 1umx n ARG 118 Ca 0.09 0.82 -0.17 0.00 -0.77 0.00 0.00 57.85 57.82 1umx n ARG 118 Cb 0.59 -2.51 -0.03 0.00 -1.02 0.00 0.00 32.46 29.50 1umx n ARG 118 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1umx n ASP 119 N 0.47 6.13 -4.46 0.55 -0.08 -1.26 -1.33 116.55 116.58 1umx n ASP 119 Ca 0.04 -2.93 -0.23 0.00 -1.51 0.00 0.00 54.79 50.15 1umx n ASP 119 Cb 0.38 -1.18 -0.10 0.00 2.34 0.00 0.00 41.12 42.56 1umx n ASP 119 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1umx s LEU 120 N -1.41 2.60 0.32 -2.67 1.43 -1.26 -4.92 118.68 112.77 1umx s LEU 120 Ca 0.41 -1.07 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 1umx s LEU 120 Cb 0.27 -0.97 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 1umx s LEU 120 CO -0.07 -0.06 0.58 -2.16 0.23 0.00 0.00 176.35 174.86 1umx s PRO 121 N -3.57 3.60 0.32 1.29 0.04 -1.26 -0.94 135.00 134.48 1umx s PRO 121 Ca 0.29 -0.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.00 1umx s PRO 121 Cb -0.02 -2.62 -0.10 0.00 0.04 0.00 0.00 34.50 31.79 1umx s PRO 121 CO 0.14 0.16 1.42 -2.00 0.04 0.00 0.00 177.00 176.75 1umx s GLU 122 N -3.83 4.25 -0.02 4.56 2.12 -1.26 -4.90 118.70 119.62 1umx s GLU 122 Ca 0.44 2.36 0.01 0.00 0.36 0.00 0.00 54.97 58.13 1umx s GLU 122 Cb -0.10 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1umx s GLU 122 CO 0.33 -0.38 0.01 -0.51 -0.54 0.00 0.00 175.26 174.17 1umx s LEU 123 N -1.35 3.58 0.00 2.70 1.43 -1.26 -0.12 118.68 123.65 1umx s LEU 123 Ca 0.54 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1umx s LEU 123 Cb -0.43 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1umx s LEU 123 CO 0.52 0.30 0.00 -0.90 0.23 0.00 0.00 176.35 176.50 1umx n ASP 124 N 1.51 -0.45 0.03 2.29 5.68 0.11 -4.67 116.55 121.05 1umx n ASP 124 Ca -0.15 -0.40 0.08 0.00 -0.50 0.00 0.00 54.79 53.82 1umx n ASP 124 Cb 0.53 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.86 1umx n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1umx n GLY 125 N 3.20 -1.07 0.53 6.12 0.00 -1.26 -2.47 105.19 110.24 1umx n GLY 125 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1umx n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1umx n HIS 126 N -1.68 0.00 -0.05 1.61 8.25 -1.26 -4.95 115.22 117.14 1umx n HIS 126 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1umx n HIS 126 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1umx n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1umx n GLY 127 N 0.98 0.61 3.86 -1.41 0.00 -1.03 -5.08 105.19 103.11 1umx n GLY 127 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1umx n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1umx s HIS 128 N -2.07 3.58 -0.43 1.61 3.76 -1.26 -4.75 115.29 115.73 1umx s HIS 128 Ca 0.00 0.89 -0.43 0.00 -0.15 0.00 0.00 55.06 55.37 1umx s HIS 128 Cb 0.00 -2.24 -0.18 0.00 1.11 0.00 0.00 32.58 31.28 1umx s HIS 128 CO 0.00 0.47 1.89 0.09 -0.85 0.00 0.00 174.74 176.34 1umx n ASN 129 N 0.80 1.45 -0.24 1.40 4.13 -1.26 0.04 115.26 121.57 1umx n ASN 129 Ca -0.06 0.89 0.15 0.00 1.68 0.00 0.00 54.58 57.24 1umx n ASN 129 Cb 0.52 -1.00 0.45 0.00 -1.54 0.00 0.00 39.78 38.21 1umx n ASN 129 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1umx h LYS 130 N 7.82 0.52 -4.95 3.52 3.64 -0.80 -3.41 116.57 122.91 1umx h LYS 130 Ca -0.31 -0.03 -0.67 0.00 -1.27 0.00 0.00 60.65 58.37 1umx h LYS 130 Cb 1.37 -0.12 -0.35 0.00 -0.41 0.00 0.00 32.23 32.73 1umx h LYS 130 CO 1.02 0.34 -0.80 0.42 -2.27 0.00 0.00 179.45 178.16 1umx s ILE 131 N -5.54 2.36 0.26 2.00 1.01 -1.26 -1.80 121.20 118.22 1umx s ILE 131 Ca -0.09 -1.19 0.11 0.00 0.00 0.00 0.00 60.65 59.48 1umx s ILE 131 Cb 0.22 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1umx s ILE 131 CO 0.78 0.25 -0.20 -0.54 0.00 0.00 0.00 174.94 175.23 1umx s LYS 132 N 1.24 1.61 0.66 2.79 1.02 -0.75 -4.63 119.74 121.68 1umx s LYS 132 Ca -0.01 -1.71 -0.14 0.00 0.02 0.00 0.00 55.97 54.13 1umx s LYS 132 Cb -0.16 -1.69 -0.00 0.00 -0.52 0.00 0.00 37.83 35.45 1umx s LYS 132 CO -0.08 0.32 1.09 -2.14 -0.92 0.00 0.00 175.35 173.62 1umx s PRO 133 N -3.41 2.89 0.12 -1.68 0.02 -1.26 -0.56 135.00 131.13 1umx s PRO 133 Ca 0.28 1.28 -0.17 0.00 0.02 0.00 0.00 61.00 62.41 1umx s PRO 133 Cb -0.05 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 1umx s PRO 133 CO 0.13 -1.16 1.61 1.98 -0.33 0.00 0.00 177.00 179.24 1umx h MET 134 N -0.04 0.55 -0.99 5.54 4.05 -1.58 -2.37 114.93 120.10 1umx h MET 134 Ca -0.46 -0.13 0.34 0.00 -0.28 0.00 0.00 59.70 59.16 1umx h MET 134 Cb 1.23 -0.07 -0.18 0.00 -0.80 0.00 0.00 31.60 31.78 1umx h MET 134 CO 0.55 0.60 0.29 1.57 0.23 0.00 0.00 176.91 180.16 1umx h LYS 135 N 0.41 0.04 -0.53 0.39 2.10 -1.92 1.03 116.57 118.08 1umx h LYS 135 Ca 0.11 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1umx h LYS 135 Cb 0.30 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1umx h LYS 135 CO 0.00 0.02 0.00 0.00 -2.00 0.00 0.00 179.45 177.48 1umx n ALA 136 N -2.68 2.67 -3.77 0.07 0.00 -0.90 -4.78 120.51 111.11 1umx n ALA 136 Ca 0.30 -0.89 -0.36 0.00 0.00 0.00 0.00 53.44 52.49 1umx n ALA 136 Cb 0.99 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1umx n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1umx s ALA 137 N -1.57 3.11 -0.09 0.00 0.00 0.35 -4.94 121.76 118.63 1umx s ALA 137 Ca 0.31 -2.46 -0.29 0.00 0.00 0.00 0.00 51.96 49.52 1umx s ALA 137 Cb 0.18 -2.34 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 1umx s ALA 137 CO 0.18 -1.74 1.84 0.00 0.00 0.00 0.00 175.76 176.04 1umx s ALA 138 N 1.14 3.39 0.00 0.00 0.00 -1.26 -2.22 121.76 122.81 1umx s ALA 138 Ca 0.07 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1umx s ALA 138 Cb -0.22 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.04 1umx s ALA 138 CO -0.04 -1.80 0.00 0.41 0.00 0.00 0.00 175.76 174.33 1umx n GLY 139 N 4.64 3.04 3.68 0.00 0.00 -1.26 -5.04 105.19 110.25 1umx n GLY 139 Ca 0.20 -0.53 -0.49 0.00 0.00 0.00 0.00 46.02 45.21 1umx n GLY 139 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1umx n PHE 140 N 0.00 2.29 -4.11 1.61 3.01 -0.94 -4.97 117.46 114.36 1umx n PHE 140 Ca 0.00 0.08 -0.08 0.00 1.01 0.00 0.00 57.45 58.46 1umx n PHE 140 Cb 0.00 -2.63 -0.10 0.00 -0.01 0.00 0.00 39.48 36.74 1umx n PHE 140 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1umx s HIS 141 N 3.47 0.60 0.09 1.38 -3.43 -1.26 -4.98 115.29 111.16 1umx s HIS 141 Ca 0.91 -1.05 -0.31 0.00 -0.80 0.00 0.00 55.06 53.81 1umx s HIS 141 Cb -0.72 -0.42 -0.09 0.00 -1.43 0.00 0.00 32.58 29.92 1umx s HIS 141 CO 0.50 -0.35 1.76 0.08 -2.00 0.00 0.00 174.74 174.73 1umx s VAL 142 N -3.88 2.80 -0.12 -5.38 1.01 -1.26 -4.97 120.40 108.61 1umx s VAL 142 Ca 0.09 0.25 0.15 0.00 0.00 0.00 0.00 61.98 62.47 1umx s VAL 142 Cb 0.08 -3.16 -0.22 0.00 0.00 0.00 0.00 36.38 33.07 1umx s VAL 142 CO -0.09 -0.00 0.16 -1.20 0.00 0.00 0.00 175.10 173.97 1umx n SER 143 N 5.79 1.00 -3.76 3.32 7.64 -1.26 -5.04 113.62 121.31 1umx n SER 143 Ca 0.17 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.95 1umx n SER 143 Cb 0.39 1.19 -0.06 0.00 -1.01 0.00 0.00 64.21 64.72 1umx n SER 143 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1umx s ALA 144 N -2.66 -0.55 0.10 -0.43 0.00 -1.26 -5.12 121.76 111.84 1umx s ALA 144 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1umx s ALA 144 Cb 0.07 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1umx s ALA 144 CO 0.68 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1umx n GLY 145 N -0.15 -2.80 3.77 0.00 0.00 -1.26 -4.87 105.19 99.87 1umx n GLY 145 Ca -0.15 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 1umx n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1umx s LYS 146 N -3.43 3.69 -0.14 1.61 2.47 -1.26 -4.97 119.74 117.72 1umx s LYS 146 Ca 0.00 2.36 -0.19 0.00 -1.56 0.00 0.00 55.97 56.58 1umx s LYS 146 Cb 0.00 -2.64 -0.04 0.00 -1.46 0.00 0.00 37.83 33.69 1umx s LYS 146 CO 0.00 -0.79 0.52 1.21 0.16 0.00 0.00 175.35 176.45 1umx s ASN 147 N -0.58 6.68 0.29 1.43 3.84 -1.26 -4.97 114.94 120.38 1umx s ASN 147 Ca 0.61 0.82 0.16 0.00 0.21 0.00 0.00 52.86 54.66 1umx s ASN 147 Cb -0.42 -2.30 0.16 0.00 -0.55 0.00 0.00 41.25 38.13 1umx s ASN 147 CO 0.54 -0.07 1.49 -0.65 -2.79 0.00 0.00 177.10 175.62 1umx h PRO 148 N 6.94 0.00 -6.29 0.43 0.11 -1.96 -3.45 132.00 127.78 1umx h PRO 148 Ca -0.39 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.10 1umx h PRO 148 Cb 1.17 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.31 1umx h PRO 148 CO 0.75 0.48 1.03 -0.89 -0.21 0.00 0.00 178.00 179.17 1umx n ILE 149 N -3.26 0.48 0.00 4.15 5.41 -1.26 0.36 119.36 125.24 1umx n ILE 149 Ca 0.02 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1umx n ILE 149 Cb 0.70 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.88 1umx n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1umx n GLY 150 N 4.24 2.81 3.78 7.39 0.00 -0.76 -5.00 105.19 117.64 1umx n GLY 150 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1umx n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1umx s LEU 151 N 0.00 4.24 0.60 0.99 1.43 0.16 -4.66 118.68 121.43 1umx s LEU 151 Ca 0.00 2.03 -0.16 0.00 -1.03 0.00 0.00 54.13 54.97 1umx s LEU 151 Cb 0.00 -4.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 1umx s LEU 151 CO 0.00 -0.36 1.07 -2.16 0.23 0.00 0.00 176.35 175.13 1umx s PRO 152 N -2.26 3.25 -0.16 1.29 0.04 -1.26 -0.95 135.00 134.95 1umx s PRO 152 Ca 0.54 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 1umx s PRO 152 Cb -0.23 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1umx s PRO 152 CO 0.29 -0.88 -0.10 0.08 0.04 0.00 0.00 177.00 176.43 1umx s VAL 153 N -2.35 3.15 -0.01 -0.36 1.01 -0.07 -1.31 120.40 120.46 1umx s VAL 153 Ca 0.65 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1umx s VAL 153 Cb -0.17 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1umx s VAL 153 CO 0.36 0.50 -0.11 -0.60 0.00 0.00 0.00 175.10 175.24 1umx s ARG 154 N 0.66 2.44 0.57 2.72 3.52 -0.63 0.51 118.95 128.73 1umx s ARG 154 Ca -0.06 -0.76 0.09 0.00 -0.13 0.00 0.00 55.73 54.87 1umx s ARG 154 Cb -0.15 -2.40 0.08 0.00 -1.56 0.00 0.00 34.95 30.92 1umx s ARG 154 CO 0.02 0.60 0.73 0.20 -0.81 0.00 0.00 175.30 176.04 1umx s GLY 155 N -1.18 1.84 0.00 8.12 0.00 -0.23 -0.93 107.32 114.95 1umx s GLY 155 Ca 0.15 -1.99 0.12 0.00 0.00 0.00 0.00 44.72 42.99 1umx s GLY 155 CO 0.05 -1.73 1.34 0.00 0.00 0.00 0.00 173.10 172.75 1umx n ASP 157 N -1.40 4.33 -1.48 0.00 5.75 -1.26 -2.37 116.55 120.12 1umx n ASP 157 Ca 0.04 -3.38 -0.18 0.00 -0.01 0.00 0.00 54.79 51.26 1umx n ASP 157 Cb 0.12 -0.77 -0.08 0.00 -1.03 0.00 0.00 41.12 39.36 1umx n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1umx n LEU 158 N -0.55 -1.29 -4.69 -2.12 4.77 0.16 -4.93 117.00 108.35 1umx n LEU 158 Ca 0.47 0.45 -0.23 0.00 -0.03 0.00 0.00 56.01 56.67 1umx n LEU 158 Cb 1.46 -2.66 -0.07 0.00 -2.33 0.00 0.00 43.42 39.83 1umx n LEU 158 CO 0.48 -1.00 -0.28 -0.70 -1.33 0.00 0.00 177.39 174.56 1umx s GLU 159 N -3.54 2.40 -0.28 3.23 2.56 -1.26 -4.87 118.70 116.94 1umx s GLU 159 Ca 0.00 -1.39 -0.18 0.00 0.00 0.00 0.00 54.97 53.39 1umx s GLU 159 Cb 0.00 -2.22 -0.02 0.00 2.00 0.00 0.00 34.13 33.89 1umx s GLU 159 CO 0.00 0.32 0.54 0.42 -0.56 0.00 0.00 175.26 175.97 1umx s ILE 160 N -2.32 5.04 -0.33 -3.70 -1.09 -1.26 -1.06 121.20 116.47 1umx s ILE 160 Ca 0.33 0.80 0.23 0.00 -2.23 0.00 0.00 60.65 59.77 1umx s ILE 160 Cb -0.06 -3.88 -0.09 0.00 -1.58 0.00 0.00 42.46 36.86 1umx s ILE 160 CO 0.21 -0.00 0.97 0.00 -1.23 0.00 0.00 174.94 174.88 1umx n ALA 161 N 5.64 2.84 0.00 9.38 0.00 0.18 -4.97 120.51 133.58 1umx n ALA 161 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1umx n ALA 161 Cb 0.49 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1umx n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1umx n GLY 162 N 1.26 -0.56 3.26 0.00 0.00 -1.20 -4.14 105.19 103.80 1umx n GLY 162 Ca 0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 1umx n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1umx s LYS 163 N -0.98 0.77 0.21 1.61 -2.85 -0.87 -0.90 119.74 116.73 1umx s LYS 163 Ca 0.00 -0.35 -0.22 0.00 -1.00 0.00 0.00 55.97 54.40 1umx s LYS 163 Cb 0.00 0.34 -0.08 0.00 -2.06 0.00 0.00 37.83 36.02 1umx s LYS 163 CO 0.00 -0.23 0.76 0.08 0.10 0.00 0.00 175.35 176.06 1umx s VAL 164 N -2.01 4.47 0.00 1.79 1.01 -0.13 -0.70 120.40 124.82 1umx s VAL 164 Ca -0.09 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1umx s VAL 164 Cb -0.03 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1umx s VAL 164 CO 0.00 0.31 0.00 1.33 0.00 0.00 0.00 175.10 176.74 1umx n VAL 165 N 1.02 0.00 -3.84 2.92 0.24 -0.78 -1.83 118.33 116.06 1umx n VAL 165 Ca -0.03 -0.11 -0.07 0.00 -2.04 0.00 0.00 64.34 62.09 1umx n VAL 165 Cb 0.50 0.58 0.03 0.00 -1.47 0.00 0.00 33.84 33.48 1umx n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1umx s ASP 166 N -0.74 0.03 -0.08 -1.34 2.15 -1.23 -4.90 116.67 110.55 1umx s ASP 166 Ca 0.00 -1.03 -0.01 0.00 0.43 0.00 0.00 52.55 51.94 1umx s ASP 166 Cb 0.00 0.74 0.03 0.00 -0.30 0.00 0.00 42.92 43.39 1umx s ASP 166 CO 0.00 -1.48 -0.03 -0.63 -0.17 0.00 0.00 175.17 172.86 1umx s ILE 167 N -2.11 0.60 -0.09 4.11 1.01 -1.26 -1.64 121.20 121.82 1umx s ILE 167 Ca 0.18 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.63 1umx s ILE 167 Cb -0.04 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 1umx s ILE 167 CO 0.10 0.29 0.43 0.26 0.00 0.00 0.00 174.94 176.02 1umx s TRP 168 N 1.72 3.56 0.31 3.97 0.52 0.16 -1.36 118.94 127.82 1umx s TRP 168 Ca 0.02 0.87 0.08 0.00 0.02 0.00 0.00 56.10 57.10 1umx s TRP 168 Cb -0.13 -2.45 -0.06 0.00 -1.15 0.00 0.00 33.47 29.68 1umx s TRP 168 CO -0.05 0.30 -0.07 0.14 0.02 0.00 0.00 176.95 177.29 1umx s VAL 169 N 0.15 1.91 -0.39 4.03 -7.23 0.28 -1.70 120.40 117.45 1umx s VAL 169 Ca 0.24 -2.16 -0.12 0.00 -1.81 0.00 0.00 61.98 58.13 1umx s VAL 169 Cb -0.15 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.27 1umx s VAL 169 CO 0.10 -0.25 0.24 -0.62 -0.31 0.00 0.00 175.10 174.27 1umx s ASP 170 N -3.52 5.86 0.06 4.85 -1.08 0.28 -1.81 116.67 121.31 1umx s ASP 170 Ca 0.31 -1.01 -0.33 0.00 -0.52 0.00 0.00 52.55 51.00 1umx s ASP 170 Cb 0.03 -2.07 -0.19 0.00 -1.46 0.00 0.00 42.92 39.23 1umx s ASP 170 CO 0.14 -0.42 1.53 0.40 0.52 0.00 0.00 175.17 177.34 1umx h ILE 171 N 5.81 0.22 0.00 4.11 5.03 -1.67 0.24 117.51 131.25 1umx h ILE 171 Ca -0.26 -0.07 -0.01 0.00 -0.12 0.00 0.00 64.86 64.40 1umx h ILE 171 Cb 1.11 0.24 -0.00 0.00 -3.03 0.00 0.00 36.82 35.13 1umx h ILE 171 CO 0.70 0.01 -0.06 -0.65 -0.68 0.00 0.00 178.15 177.46 1umx h PRO 172 N -1.08 0.00 -0.05 2.37 0.11 -1.94 -0.50 132.00 130.91 1umx h PRO 172 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1umx h PRO 172 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1umx h PRO 172 CO 0.17 0.06 0.00 0.39 -0.21 0.00 0.00 178.00 178.42 1umx n GLU 173 N -3.89 1.45 -3.80 1.05 1.02 -1.19 -4.98 120.64 110.29 1umx n GLU 173 Ca -0.03 -1.56 -0.33 0.00 -0.02 0.00 0.00 57.16 55.22 1umx n GLU 173 Cb 0.15 -1.33 0.02 0.00 -0.02 0.00 0.00 31.44 30.27 1umx n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1umx n GLN 174 N 0.96 -0.94 -3.81 3.49 6.02 0.78 -4.97 117.38 118.92 1umx n GLN 174 Ca 0.10 0.45 -0.13 0.00 -0.01 0.00 0.00 57.00 57.42 1umx n GLN 174 Cb 0.43 -3.30 -0.13 0.00 1.02 0.00 0.00 30.24 28.26 1umx n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1umx s MET 175 N -6.08 0.12 0.22 -1.09 1.75 -0.81 -4.92 119.30 108.48 1umx s MET 175 Ca 0.36 0.21 -0.30 0.00 -1.25 0.00 0.00 55.69 54.71 1umx s MET 175 Cb -0.16 -0.01 -0.09 0.00 2.84 0.00 0.00 34.83 37.41 1umx s MET 175 CO 0.90 -0.06 1.32 0.00 -0.65 0.00 0.00 175.02 176.53 1umx s ALA 176 N 0.37 3.53 -0.03 4.11 0.00 -1.26 -0.56 121.76 127.92 1umx s ALA 176 Ca -0.03 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.06 1umx s ALA 176 Cb -0.04 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1umx s ALA 176 CO -0.01 -0.56 -0.03 0.54 0.00 0.00 0.00 175.76 175.70 1umx n ARG 177 N 2.36 0.06 -4.35 0.00 1.74 -0.69 -4.87 116.66 110.91 1umx n ARG 177 Ca 0.05 0.02 -0.18 0.00 -0.77 0.00 0.00 57.85 56.97 1umx n ARG 177 Cb 0.42 -0.72 -0.10 0.00 -1.02 0.00 0.00 32.46 31.04 1umx n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1umx s PHE 178 N -2.05 1.66 -0.11 -1.55 0.40 -0.76 -0.85 117.98 114.72 1umx s PHE 178 Ca -0.04 -0.81 -0.03 0.00 -0.60 0.00 0.00 56.93 55.45 1umx s PHE 178 Cb 0.01 -0.93 -0.03 0.00 0.51 0.00 0.00 43.02 42.58 1umx s PHE 178 CO 0.05 0.10 0.02 -0.51 0.70 0.00 0.00 175.22 175.59 1umx s LEU 179 N -3.33 3.68 -0.14 -0.37 1.43 -0.78 0.37 118.68 119.54 1umx s LEU 179 Ca 0.27 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 1umx s LEU 179 Cb 0.04 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1umx s LEU 179 CO 0.09 0.34 0.25 -0.70 0.23 0.00 0.00 176.35 176.55 1umx s GLU 180 N -0.64 4.06 -0.05 1.70 2.12 -0.65 -2.19 118.70 123.04 1umx s GLU 180 Ca 0.11 0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.51 1umx s GLU 180 Cb -0.12 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.91 1umx s GLU 180 CO 0.02 0.40 -0.17 0.08 -0.54 0.00 0.00 175.26 175.05 1umx s VAL 181 N -0.00 1.45 -0.09 3.70 1.01 0.70 -1.87 120.40 125.29 1umx s VAL 181 Ca 0.15 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 1umx s VAL 181 Cb -0.13 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1umx s VAL 181 CO 0.04 0.42 0.47 -0.70 0.00 0.00 0.00 175.10 175.33 1umx s GLU 182 N 0.20 4.29 0.48 2.72 2.12 0.12 -0.34 118.70 128.28 1umx s GLU 182 Ca -0.08 0.46 0.08 0.00 0.36 0.00 0.00 54.97 55.79 1umx s GLU 182 Cb -0.13 -3.40 0.04 0.00 0.26 0.00 0.00 34.13 30.90 1umx s GLU 182 CO 0.03 0.24 0.66 -0.51 -0.54 0.00 0.00 175.26 175.15 1umx s LEU 183 N 0.34 3.45 0.26 2.70 1.43 0.17 -2.05 118.68 124.97 1umx s LEU 183 Ca 0.26 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1umx s LEU 183 Cb -0.16 -2.35 0.52 0.00 0.03 0.00 0.00 46.19 44.23 1umx s LEU 183 CO 0.11 -0.99 1.63 0.50 0.23 0.00 0.00 176.35 177.83 1umx h LYS 184 N 0.43 0.10 -0.04 1.70 1.63 -1.87 0.15 116.57 118.67 1umx h LYS 184 Ca -0.37 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 1umx h LYS 184 Cb 1.28 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1umx h LYS 184 CO 0.44 0.07 0.00 -0.40 -3.45 0.00 0.00 179.45 176.11 1umx n ASP 185 N -5.35 0.31 0.00 4.20 5.68 -1.26 -4.88 116.55 115.26 1umx n ASP 185 Ca 0.16 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1umx n ASP 185 Cb 0.54 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1umx n ASP 185 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1umx n GLY 186 N 0.77 1.70 3.83 6.12 0.00 0.53 -5.04 105.19 113.10 1umx n GLY 186 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1umx n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1umx s SER 187 N -2.62 4.94 0.37 1.61 1.04 -1.26 -4.74 113.70 113.05 1umx s SER 187 Ca 0.00 1.33 0.08 0.00 0.48 0.00 0.00 55.95 57.84 1umx s SER 187 Cb 0.00 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.95 1umx s SER 187 CO 0.00 -1.68 0.11 0.42 0.98 0.00 0.00 173.24 173.07 1umx s THR 188 N -3.18 2.56 0.04 2.02 -4.23 -1.26 0.41 115.64 112.00 1umx s THR 188 Ca 0.59 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1umx s THR 188 Cb -0.13 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 1umx s THR 188 CO 0.54 -0.10 -0.04 -0.13 -0.54 0.00 0.00 174.62 174.34 1umx s ARG 189 N -3.83 0.49 0.16 3.99 1.81 0.54 -4.91 118.95 117.20 1umx s ARG 189 Ca 0.38 -0.88 -0.17 0.00 -1.72 0.00 0.00 55.73 53.34 1umx s ARG 189 Cb 0.01 0.02 -0.07 0.00 -0.45 0.00 0.00 34.95 34.46 1umx s ARG 189 CO 0.21 -0.04 0.61 -0.51 -0.68 0.00 0.00 175.30 174.89 1umx s LEU 190 N -2.04 4.37 -0.04 2.53 1.02 -1.26 -0.22 118.68 123.04 1umx s LEU 190 Ca -0.06 1.22 0.00 0.00 0.02 0.00 0.00 54.13 55.32 1umx s LEU 190 Cb -0.04 -3.31 0.03 0.00 0.02 0.00 0.00 46.19 42.89 1umx s LEU 190 CO -0.03 0.11 -0.01 -0.76 0.02 0.00 0.00 176.35 175.67 1umx s LEU 191 N -1.83 1.09 0.38 1.79 1.43 -0.93 -4.96 118.68 115.65 1umx s LEU 191 Ca 0.38 -0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 53.13 1umx s LEU 191 Cb -0.16 -0.35 -0.10 0.00 0.03 0.00 0.00 46.19 45.61 1umx s LEU 191 CO 0.20 -0.11 1.41 -2.84 0.23 0.00 0.00 176.35 175.24 1umx s PRO 192 N 1.20 4.08 0.24 1.29 0.02 -1.26 -1.86 135.00 138.71 1umx s PRO 192 Ca -0.07 2.40 -0.06 0.00 0.02 0.00 0.00 61.00 63.29 1umx s PRO 192 Cb -0.14 -2.91 0.24 0.00 0.02 0.00 0.00 34.50 31.71 1umx s PRO 192 CO -0.02 -0.49 1.88 0.52 -0.33 0.00 0.00 177.00 178.57 1umx h MET 193 N 2.94 1.27 0.00 5.54 2.86 -1.34 -2.26 114.93 123.95 1umx h MET 193 Ca -0.50 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 1umx h MET 193 Cb 1.24 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1umx h MET 193 CO 0.64 0.90 0.00 1.04 1.06 0.00 0.00 176.91 180.55 1umx n GLN 194 N -4.35 0.15 -0.06 1.72 3.00 -1.26 -2.22 117.38 114.36 1umx n GLN 194 Ca 0.10 0.19 0.06 0.00 -0.01 0.00 0.00 57.00 57.34 1umx n GLN 194 Cb 0.07 -1.50 0.10 0.00 0.00 0.00 0.00 30.24 28.91 1umx n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1umx n MET 195 N -1.27 1.95 -4.28 -1.09 2.81 -0.85 -5.01 117.12 109.38 1umx n MET 195 Ca 0.05 -2.22 -0.18 0.00 -1.81 0.00 0.00 57.70 53.54 1umx n MET 195 Cb 0.08 -1.34 -0.11 0.00 -0.71 0.00 0.00 33.22 31.14 1umx n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1umx s VAL 196 N -2.21 1.45 -0.28 2.03 -7.23 -0.94 -4.45 120.40 108.77 1umx s VAL 196 Ca 0.21 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 1umx s VAL 196 Cb 0.18 -1.76 0.06 0.00 0.56 0.00 0.00 36.38 35.43 1umx s VAL 196 CO 0.02 -0.52 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.50 1umx s LYS 197 N -3.14 2.30 -0.26 4.82 2.20 -0.57 -4.97 119.74 120.11 1umx s LYS 197 Ca 0.15 -1.33 -0.27 0.00 -0.36 0.00 0.00 55.97 54.15 1umx s LYS 197 Cb -0.02 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1umx s LYS 197 CO 0.04 -0.61 0.95 0.08 -0.36 0.00 0.00 175.35 175.44 1umx s VAL 198 N 1.17 4.70 0.00 4.02 1.01 -1.26 -0.62 120.40 129.42 1umx s VAL 198 Ca -0.06 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1umx s VAL 198 Cb -0.20 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1umx s VAL 198 CO -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 175.10 174.84 1umx n GLN 199 N 6.33 2.13 0.01 2.72 6.02 -0.36 -4.99 117.38 129.23 1umx n GLN 199 Ca 0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.98 1umx n GLN 199 Cb 0.47 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.59 1umx n GLN 199 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1umx h SER 200 N 0.00 0.07 -0.01 1.08 4.64 -2.01 -3.36 113.55 113.96 1umx h SER 200 Ca 0.00 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1umx h SER 200 Cb 0.00 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1umx h SER 200 CO 0.00 1.11 -0.14 -0.46 -0.87 0.00 0.00 176.83 176.47 1umx n ASN 201 N -3.18 2.21 0.00 4.97 6.94 -1.26 -5.05 115.26 119.88 1umx n ASN 201 Ca -0.14 -3.32 0.00 0.00 -0.02 0.00 0.00 54.58 51.09 1umx n ASN 201 Cb 1.03 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 1umx n ASN 201 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 1umx n ARG 202 N -1.33 0.00 -4.82 -3.83 0.00 -1.26 -4.68 116.66 100.75 1umx n ARG 202 Ca 0.17 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.69 1umx n ARG 202 Cb 0.66 0.00 -0.13 0.00 -0.00 0.00 0.00 32.46 33.00 1umx n ARG 202 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1umx s VAL 203 N -2.00 3.15 -0.04 8.89 1.01 -0.43 -1.23 120.40 129.75 1umx s VAL 203 Ca 0.00 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.31 1umx s VAL 203 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1umx s VAL 203 CO 0.00 0.56 -0.24 -2.28 0.00 0.00 0.00 175.10 173.14 1umx s HIS 204 N -0.77 2.31 -0.29 5.22 2.46 0.21 -1.61 115.29 122.82 1umx s HIS 204 Ca 0.12 -0.60 0.03 0.00 0.47 0.00 0.00 55.06 55.09 1umx s HIS 204 Cb -0.11 -1.51 0.07 0.00 -0.13 0.00 0.00 32.58 30.91 1umx s HIS 204 CO 0.01 -0.15 -0.05 0.08 -2.47 0.00 0.00 174.74 172.17 1umx s VAL 205 N -0.31 2.27 0.08 0.89 1.01 -0.10 -1.52 120.40 122.72 1umx s VAL 205 Ca 0.01 -1.86 -0.15 0.00 0.00 0.00 0.00 61.98 59.98 1umx s VAL 205 Cb -0.12 -2.45 -0.13 0.00 0.00 0.00 0.00 36.38 33.68 1umx s VAL 205 CO 0.02 -0.23 1.34 -1.13 0.00 0.00 0.00 175.10 175.10 1umx h ASN 206 N 7.74 0.76 -0.91 3.32 -0.73 -1.86 -1.71 115.58 122.18 1umx h ASN 206 Ca -0.14 -0.56 0.08 0.00 1.87 0.00 0.00 56.30 57.55 1umx h ASN 206 Cb 1.03 -0.22 -0.07 0.00 0.27 0.00 0.00 38.32 39.33 1umx h ASN 206 CO 0.49 1.18 0.56 0.00 -0.37 0.00 0.00 177.43 179.29 1umx h ALA 207 N 0.60 1.29 -2.83 1.57 0.00 -1.87 -3.38 119.26 114.64 1umx h ALA 207 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1umx h ALA 207 Cb 1.07 -0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 1umx h ALA 207 CO 0.10 0.26 -0.67 -0.51 0.00 0.00 0.00 179.25 178.43 1umx s LEU 208 N -10.22 3.24 0.42 0.00 2.01 -1.25 -3.67 118.68 109.21 1umx s LEU 208 Ca -0.12 -0.45 0.07 0.00 0.01 0.00 0.00 54.13 53.63 1umx s LEU 208 Cb 0.20 -1.88 0.01 0.00 0.01 0.00 0.00 46.19 44.52 1umx s LEU 208 CO 0.80 0.08 0.57 -0.94 1.01 0.00 0.00 176.35 177.87 1umx s SER 209 N -3.00 5.69 0.12 2.29 1.04 -1.26 0.89 113.70 119.47 1umx s SER 209 Ca 0.27 -0.34 -0.27 0.00 0.48 0.00 0.00 55.95 56.10 1umx s SER 209 Cb -0.09 -0.79 -0.06 0.00 0.10 0.00 0.00 66.02 65.18 1umx s SER 209 CO 0.18 -0.73 1.63 0.77 0.98 0.00 0.00 173.24 176.07 1umx h SER 210 N 0.64 -0.79 0.00 7.02 4.64 -1.88 -0.98 113.55 122.20 1umx h SER 210 Ca -0.41 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1umx h SER 210 Cb 1.28 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 1umx h SER 210 CO 0.47 -0.35 0.00 -0.90 -0.87 0.00 0.00 176.83 175.18 1umx n ASP 211 N -5.38 0.00 -0.08 4.97 5.75 -1.26 -2.14 116.55 118.41 1umx n ASP 211 Ca -0.06 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.77 1umx n ASP 211 Cb 0.30 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.35 1umx n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1umx n LEU 212 N -0.82 0.73 -0.13 -2.12 4.77 -0.37 -4.53 117.00 114.52 1umx n LEU 212 Ca 0.00 -0.58 0.03 0.00 -0.03 0.00 0.00 56.01 55.43 1umx n LEU 212 Cb 0.00 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.42 1umx n LEU 212 CO 0.00 0.16 1.21 -0.26 -1.33 0.00 0.00 177.39 177.17 1umx h PHE 213 N 0.37 0.75 -0.01 -1.77 -1.00 -1.51 -2.24 116.94 111.54 1umx h PHE 213 Ca 0.00 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1umx h PHE 213 Cb 0.28 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 1umx h PHE 213 CO 0.00 0.46 -0.07 0.00 -1.61 0.00 0.00 178.31 177.09 1umx h ALA 214 N 1.62 1.86 0.00 2.45 0.00 -1.80 -2.40 119.26 120.99 1umx h ALA 214 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1umx h ALA 214 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1umx h ALA 214 CO -0.06 0.11 0.00 0.78 0.00 0.00 0.00 179.25 180.08 1umx h GLY 215 N 0.25 0.00 -5.69 0.00 0.00 -1.69 -3.46 103.07 92.49 1umx h GLY 215 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1umx h GLY 215 CO 0.01 0.00 1.00 1.39 0.00 0.00 0.00 176.54 178.94 1umx n ILE 216 N -3.03 0.43 -1.49 2.60 5.41 -0.91 -4.85 119.36 117.53 1umx n ILE 216 Ca 0.02 -0.08 -0.56 0.00 1.00 0.00 0.00 62.75 63.14 1umx n ILE 216 Cb 0.41 -1.69 -0.07 0.00 -0.71 0.00 0.00 39.64 37.58 1umx n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1umx n PRO 217 N 5.78 0.14 -2.48 0.38 -0.02 -1.26 -4.98 135.00 132.57 1umx n PRO 217 Ca 0.22 0.05 -0.26 0.00 -2.02 0.00 0.00 63.50 61.49 1umx n PRO 217 Cb 0.27 -1.45 0.03 0.00 -0.02 0.00 0.00 33.50 32.33 1umx n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1umx s THR 218 N -0.20 3.62 0.23 3.45 -4.23 -1.26 -4.79 115.64 112.47 1umx s THR 218 Ca 0.84 -0.09 0.07 0.00 -1.18 0.00 0.00 61.69 61.32 1umx s THR 218 Cb -1.15 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 69.22 1umx s THR 218 CO 0.56 -0.42 0.15 0.27 -0.54 0.00 0.00 174.62 174.64 1umx s ILE 219 N -2.93 4.30 -0.11 2.99 -4.36 -1.26 -5.06 121.20 114.76 1umx s ILE 219 Ca 0.53 -1.41 -0.03 0.00 -0.26 0.00 0.00 60.65 59.48 1umx s ILE 219 Cb -0.10 -3.29 -0.01 0.00 1.25 0.00 0.00 42.46 40.31 1umx s ILE 219 CO 0.44 -0.30 -0.06 0.07 0.24 0.00 0.00 174.94 175.33 1umx h LYS 220 N 1.76 0.00 -6.77 0.37 2.10 -1.99 -3.44 116.57 108.59 1umx h LYS 220 Ca -0.48 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 57.69 1umx h LYS 220 Cb 1.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 1umx h LYS 220 CO 0.61 0.00 0.21 0.45 -2.00 0.00 0.00 179.45 178.72 1umx s SER 221 N -5.51 7.06 0.00 7.07 0.15 -1.26 -4.97 113.70 116.24 1umx s SER 221 Ca -0.05 1.55 0.16 0.00 0.70 0.00 0.00 55.95 58.32 1umx s SER 221 Cb 0.01 -2.48 0.69 0.00 -1.71 0.00 0.00 66.02 62.53 1umx s SER 221 CO 0.07 -0.11 1.48 -0.81 1.20 0.00 0.00 173.24 175.08 1umx n PRO 222 N 0.25 1.44 -0.12 5.44 -0.04 -1.26 -3.84 135.00 136.86 1umx n PRO 222 Ca 0.02 -0.67 0.03 0.00 -0.04 0.00 0.00 63.50 62.83 1umx n PRO 222 Cb 0.52 -1.30 0.04 0.00 -0.04 0.00 0.00 33.50 32.72 1umx n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1umx n THR 223 N -0.07 0.78 -3.67 0.52 -2.24 -1.26 -4.98 114.28 103.36 1umx n THR 223 Ca 0.13 -0.87 -0.13 0.00 -2.27 0.00 0.00 64.05 60.91 1umx n THR 223 Cb 0.21 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 1umx n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1umx s GLU 224 N -1.03 0.92 0.05 -0.78 -1.05 -1.25 -4.62 118.70 110.94 1umx s GLU 224 Ca 0.08 -0.37 0.08 0.00 -0.15 0.00 0.00 54.97 54.61 1umx s GLU 224 Cb 0.07 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.14 1umx s GLU 224 CO 0.01 -0.32 -0.23 0.08 0.95 0.00 0.00 175.26 175.75 1umx s VAL 225 N -2.50 1.84 0.37 1.83 1.01 -1.26 -4.53 120.40 117.16 1umx s VAL 225 Ca -0.05 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.59 1umx s VAL 225 Cb -0.01 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1umx s VAL 225 CO -0.03 0.22 0.61 0.42 0.00 0.00 0.00 175.10 176.33 1umx s THR 226 N -0.85 5.04 0.28 3.92 -4.23 -1.26 -4.16 115.64 114.38 1umx s THR 226 Ca 0.09 -0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.44 1umx s THR 226 Cb -0.09 -3.83 0.28 0.00 1.34 0.00 0.00 72.50 70.19 1umx s THR 226 CO 0.02 -0.58 1.80 -0.07 -0.54 0.00 0.00 174.62 175.25 1umx h LEU 227 N 0.83 0.79 -1.33 4.79 3.38 -1.05 0.40 115.31 123.12 1umx h LEU 227 Ca -0.49 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1umx h LEU 227 Cb 1.21 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1umx h LEU 227 CO 0.62 0.36 -0.02 0.25 0.09 0.00 0.00 178.44 179.74 1umx h LEU 228 N 0.83 0.39 0.00 1.67 5.85 -1.35 -2.34 115.31 120.36 1umx h LEU 228 Ca 0.52 -0.07 -0.21 0.00 0.84 0.00 0.00 57.88 58.96 1umx h LEU 228 Cb 0.67 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1umx h LEU 228 CO -0.33 0.47 -1.29 -0.33 -0.34 0.00 0.00 178.44 176.63 1umx h GLU 229 N 0.41 0.00 -0.55 1.25 5.08 -0.86 -2.54 114.58 117.37 1umx h GLU 229 Ca 0.09 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1umx h GLU 229 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1umx h GLU 229 CO 0.01 0.55 0.04 0.93 -1.00 0.00 0.00 179.01 179.54 1umx h GLU 230 N 0.00 0.91 -0.49 2.33 5.08 -0.30 -0.84 114.58 121.27 1umx h GLU 230 Ca -0.15 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 57.88 1umx h GLU 230 Cb 1.75 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.87 1umx h GLU 230 CO 0.08 0.88 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.48 1umx h ASP 231 N 0.85 0.83 0.02 1.42 3.45 -1.28 -0.49 116.42 121.21 1umx h ASP 231 Ca 0.17 -0.23 -0.18 0.00 0.43 0.00 0.00 57.03 57.22 1umx h ASP 231 Cb 0.45 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1umx h ASP 231 CO 0.02 0.92 -0.61 0.11 -1.57 0.00 0.00 179.24 178.11 1umx h LYS 232 N 0.78 0.59 0.42 3.56 1.57 -1.15 -0.40 116.57 121.94 1umx h LYS 232 Ca 0.14 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1umx h LYS 232 Cb 0.54 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1umx h LYS 232 CO 0.03 1.02 -0.20 0.82 -0.57 0.00 0.00 179.45 180.55 1umx h ILE 233 N 0.44 0.47 -0.69 1.86 2.04 -0.93 -1.04 117.51 119.66 1umx h ILE 233 Ca -0.01 -0.53 0.07 0.00 1.00 0.00 0.00 64.86 65.39 1umx h ILE 233 Cb 1.18 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 1umx h ILE 233 CO 0.12 0.08 0.38 0.00 0.00 0.00 0.00 178.15 178.72 1umx h GLY 235 N 0.68 -0.52 0.81 0.00 0.00 -1.06 -1.47 103.07 101.51 1umx h GLY 235 Ca 0.31 0.38 0.05 0.00 0.00 0.00 0.00 47.33 48.07 1umx h GLY 235 CO -0.20 -0.23 0.60 -1.82 0.00 0.00 0.00 176.54 174.89 1umx h TYR 236 N -0.47 1.13 0.13 5.60 3.20 -0.82 -1.25 116.97 124.48 1umx h TYR 236 Ca 0.06 0.03 -0.28 0.00 3.14 0.00 0.00 58.73 61.68 1umx h TYR 236 Cb 0.55 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1umx h TYR 236 CO -0.33 0.62 -1.30 -0.39 -1.64 0.00 0.00 178.16 175.11 1umx h VAL 237 N 1.14 1.44 -0.90 1.81 -1.51 -0.85 -3.15 116.25 114.23 1umx h VAL 237 Ca 0.39 -3.01 0.04 0.00 -1.23 0.00 0.00 66.70 62.89 1umx h VAL 237 Cb 0.07 2.92 -0.06 0.00 -2.13 0.00 0.00 31.29 32.10 1umx h VAL 237 CO -0.14 0.88 0.58 0.00 -1.23 0.00 0.00 177.57 177.65 1umx h ALA 238 N 0.55 1.20 -0.05 5.19 0.00 -1.09 -2.01 119.26 123.04 1umx h ALA 238 Ca -0.16 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1umx h ALA 238 Cb 1.99 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1umx h ALA 238 CO 0.20 0.41 0.18 0.78 0.00 0.00 0.00 179.25 180.82 1umx h GLY 239 N 1.10 0.00 1.14 0.00 0.00 -0.68 -2.06 103.07 102.57 1umx h GLY 239 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.59 1umx h GLY 239 CO -0.13 0.00 -0.09 -1.33 0.00 0.00 0.00 176.54 174.99 1umx h GLY 240 N 0.00 1.09 -0.79 4.60 0.00 -1.37 0.14 103.07 106.74 1umx h GLY 240 Ca 0.02 -0.85 0.11 0.00 0.00 0.00 0.00 47.33 46.61 1umx h GLY 240 CO -0.00 0.78 -0.47 1.41 0.00 0.00 0.00 176.54 178.26 1umx h LEU 241 N 0.90 -1.68 0.10 3.11 3.38 -1.44 0.47 115.31 120.15 1umx h LEU 241 Ca 0.15 0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 1umx h LEU 241 Cb 0.64 0.79 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1umx h LEU 241 CO 0.04 -0.29 -0.05 -0.03 0.09 0.00 0.00 178.44 178.20 1umx h MET 242 N -0.10 -0.12 0.00 1.13 4.05 -1.63 -3.35 114.93 114.91 1umx h MET 242 Ca 0.22 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.65 1umx h MET 242 Cb 0.53 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 1umx h MET 242 CO -0.85 0.40 -0.11 0.66 0.23 0.00 0.00 176.91 177.24 1umx n TYR 243 N -4.85 0.17 -0.29 1.39 4.01 0.47 -3.14 117.16 114.92 1umx n TYR 243 Ca -0.08 0.05 0.09 0.00 -0.16 0.00 0.00 57.90 57.81 1umx n TYR 243 Cb 0.29 -0.54 0.26 0.00 -0.31 0.00 0.00 39.34 39.04 1umx n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1umx n ALA 244 N -1.56 2.30 -0.31 -0.72 0.00 0.16 -4.64 120.51 115.74 1umx n ALA 244 Ca 0.06 -1.24 0.05 0.00 0.00 0.00 0.00 53.44 52.31 1umx n ALA 244 Cb 0.36 -0.74 0.20 0.00 0.00 0.00 0.00 19.45 19.27 1umx n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1umx h ALA 245 N 3.43 1.30 -0.35 0.00 0.00 -1.65 0.70 119.26 122.69 1umx h ALA 245 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1umx h ALA 245 Cb 0.89 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1umx h ALA 245 CO 0.00 0.10 0.52 -1.35 0.00 0.00 0.00 179.25 178.52 1umx h PRO 246 N 0.82 0.00 0.00 0.00 0.11 -1.86 -2.84 132.00 128.23 1umx h PRO 246 Ca 0.44 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.37 1umx h PRO 246 Cb 0.46 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 1umx h PRO 246 CO -0.28 0.00 -1.85 1.63 -0.21 0.00 0.00 178.00 177.29 1umx n LYS 247 N -3.38 1.44 -1.64 1.05 5.02 0.17 -4.94 118.16 115.88 1umx n LYS 247 Ca 0.06 -0.04 -0.48 0.00 -2.02 0.00 0.00 58.31 55.83 1umx n LYS 247 Cb 0.67 -1.34 -0.05 0.00 -0.02 0.00 0.00 35.03 34.29 1umx n LYS 247 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1umx n ARG 248 N -2.37 1.79 -4.13 1.97 0.63 -0.75 -4.16 116.66 109.65 1umx n ARG 248 Ca -0.17 0.65 -0.09 0.00 -0.92 0.00 0.00 57.85 57.32 1umx n ARG 248 Cb 0.79 -2.37 -0.10 0.00 0.45 0.00 0.00 32.46 31.23 1umx n ARG 248 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1umx s LYS 249 N 0.87 0.75 0.00 -0.14 -2.85 -1.00 -4.94 119.74 112.43 1umx s LYS 249 Ca 0.81 -1.30 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 1umx s LYS 249 Cb -0.78 0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.03 1umx s LYS 249 CO 0.42 -0.10 0.00 0.45 0.10 0.00 0.00 175.35 176.22 1umx n SER 250 N 0.01 0.00 0.00 0.03 2.88 -1.26 -4.88 113.62 110.40 1umx n SER 250 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1umx n SER 250 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1umx n SER 250 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36