#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwc h LYS 2 N 0.00 -0.12 -4.87 2.12 1.57 -2.04 -3.44 116.57 109.78 2kwc h LYS 2 Ca 0.00 0.01 -0.67 0.00 -1.87 0.00 0.00 60.65 58.12 2kwc h LYS 2 Cb 0.00 0.03 -0.35 0.00 0.08 0.00 0.00 32.23 31.99 2kwc h LYS 2 CO 0.00 -0.08 -0.78 0.45 -0.57 0.00 0.00 179.45 178.47 2kwc s SER 3 N -4.66 4.40 0.29 0.86 0.15 -1.26 -4.96 113.70 108.51 2kwc s SER 3 Ca -0.02 -1.23 0.14 0.00 0.70 0.00 0.00 55.95 55.54 2kwc s SER 3 Cb 0.00 -1.59 0.35 0.00 -1.71 0.00 0.00 66.02 63.07 2kwc s SER 3 CO 0.06 -0.18 1.58 0.71 1.20 0.00 0.00 173.24 176.61 2kwc h THR 4 N 6.55 1.18 -0.24 6.45 1.35 -2.01 -3.04 112.91 123.15 2kwc h THR 4 Ca -0.24 -2.11 0.07 0.00 -0.55 0.00 0.00 66.41 63.58 2kwc h THR 4 Cb 1.06 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 2kwc h THR 4 CO 0.51 0.56 0.39 0.15 -0.25 0.00 0.00 175.52 176.87 2kwc h PHE 5 N 0.00 0.00 0.42 4.73 3.04 -1.92 1.42 116.94 124.63 2kwc h PHE 5 Ca -0.01 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 2kwc h PHE 5 Cb 1.17 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.68 2kwc h PHE 5 CO 0.00 0.00 -0.22 -0.22 -2.02 0.00 0.00 178.31 175.85 2kwc h LYS 6 N 0.00 -0.57 0.00 1.11 3.64 -1.69 -2.69 116.57 116.37 2kwc h LYS 6 Ca 0.11 0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 2kwc h LYS 6 Cb 0.89 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 2kwc h LYS 6 CO -0.00 -0.38 -1.12 0.45 -2.27 0.00 0.00 179.45 176.13 2kwc n SER 7 N -3.68 1.85 -0.54 4.20 2.88 -0.79 -4.14 113.62 113.40 2kwc n SER 7 Ca -0.07 0.48 0.44 0.00 -1.33 0.00 0.00 58.87 58.38 2kwc n SER 7 Cb 0.24 -0.92 0.73 0.00 -0.75 0.00 0.00 64.21 63.51 2kwc n SER 7 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2kwc h GLU 8 N -1.00 0.03 -4.60 -1.46 4.57 0.17 -3.39 114.58 108.90 2kwc h GLU 8 Ca -0.26 -0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.70 2kwc h GLU 8 Cb 1.07 -0.01 -0.16 0.00 -0.16 0.00 0.00 28.75 29.49 2kwc h GLU 8 CO -0.16 0.02 -0.70 0.71 -1.18 0.00 0.00 179.01 177.70 2kwc s TYR 9 N -5.12 0.82 0.93 0.92 2.02 -1.01 -4.95 117.35 110.96 2kwc s TYR 9 Ca -0.07 -0.87 -0.13 0.00 -0.37 0.00 0.00 57.07 55.64 2kwc s TYR 9 Cb 0.29 -0.49 0.15 0.00 -0.40 0.00 0.00 41.96 41.51 2kwc s TYR 9 CO 0.85 -0.16 1.14 -1.25 -1.57 0.00 0.00 175.55 174.56 2kwc s PRO 10 N -3.53 1.02 0.08 -1.71 0.04 -1.26 -4.18 135.00 125.45 2kwc s PRO 10 Ca 0.08 0.24 0.23 0.00 0.04 0.00 0.00 61.00 61.59 2kwc s PRO 10 Cb 0.03 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2kwc s PRO 10 CO -0.05 -2.27 0.95 1.97 0.04 0.00 0.00 177.00 177.64 2kwc n PHE 11 N -3.81 0.40 0.14 0.56 1.16 -1.26 -3.97 117.46 110.67 2kwc n PHE 11 Ca 0.07 0.12 0.01 0.00 -1.87 0.00 0.00 57.45 55.77 2kwc n PHE 11 Cb 0.59 -0.58 0.12 0.00 -1.61 0.00 0.00 39.48 38.01 2kwc n PHE 11 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 2kwc h GLU 12 N 0.00 0.00 0.07 3.97 5.08 -1.96 -3.06 114.58 118.68 2kwc h GLU 12 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kwc h GLU 12 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2kwc h GLU 12 CO 0.00 0.60 -0.10 0.87 -1.00 0.00 0.00 179.01 179.38 2kwc h LYS 13 N 0.00 -0.17 -0.76 2.33 1.79 -1.98 -1.04 116.57 116.75 2kwc h LYS 13 Ca -0.01 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.62 2kwc h LYS 13 Cb 1.26 0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 31.85 2kwc h LYS 13 CO 0.08 -0.11 0.31 0.00 -1.08 0.00 0.00 179.45 178.65 2kwc h ARG 14 N -0.17 0.45 -0.69 3.15 3.08 -1.78 0.17 114.38 118.58 2kwc h ARG 14 Ca -0.01 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.14 2kwc h ARG 14 Cb 0.16 -0.10 -0.13 0.00 0.08 0.00 0.00 29.97 29.98 2kwc h ARG 14 CO -0.03 0.30 -0.32 -0.22 -1.07 0.00 0.00 179.97 178.63 2kwc h LYS 15 N 0.46 -0.10 0.58 0.04 3.64 -1.35 0.56 116.57 120.40 2kwc h LYS 15 Ca 0.42 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 2kwc h LYS 15 Cb 0.63 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2kwc h LYS 15 CO -0.40 -0.07 -0.28 0.00 -2.27 0.00 0.00 179.45 176.43 2kwc h ALA 16 N 1.19 -0.78 -1.61 5.00 0.00 0.19 0.37 119.26 123.62 2kwc h ALA 16 Ca 0.28 -0.20 0.47 0.00 0.00 0.00 0.00 54.91 55.45 2kwc h ALA 16 Cb 0.56 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2kwc h ALA 16 CO -0.76 -0.81 1.23 1.49 0.00 0.00 0.00 179.25 180.41 2kwc h GLU 17 N -1.05 0.00 0.13 0.00 4.81 0.11 1.32 114.58 119.90 2kwc h GLU 17 Ca -0.08 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.80 2kwc h GLU 17 Cb 0.66 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2kwc h GLU 17 CO 0.13 0.00 -1.87 0.66 -0.73 0.00 0.00 179.01 177.20 2kwc h SER 18 N 0.00 0.42 -0.14 1.04 4.64 0.46 -3.07 113.55 116.90 2kwc h SER 18 Ca 0.76 -0.92 0.04 0.00 -0.47 0.00 0.00 61.79 61.21 2kwc h SER 18 Cb 3.22 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 65.16 2kwc h SER 18 CO -0.01 1.81 0.12 -0.33 -0.87 0.00 0.00 176.83 177.55 2kwc h GLU 19 N -0.02 0.00 0.00 4.77 4.39 0.58 0.55 114.58 124.85 2kwc h GLU 19 Ca -0.40 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 2kwc h GLU 19 Cb 1.98 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.63 2kwc h GLU 19 CO 0.08 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 177.86 2kwc h ARG 20 N 0.00 0.00 0.00 2.33 3.08 -0.61 -2.32 114.38 116.86 2kwc h ARG 20 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2kwc h ARG 20 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2kwc h ARG 20 CO -0.00 0.84 0.00 0.82 -1.07 0.00 0.00 179.97 180.56 2kwc h ILE 21 N -1.00 0.00 0.19 2.04 2.04 -1.33 0.30 117.51 119.75 2kwc h ILE 21 Ca -0.02 -0.17 -0.33 0.00 1.00 0.00 0.00 64.86 65.34 2kwc h ILE 21 Cb 0.86 1.03 0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2kwc h ILE 21 CO -0.01 0.00 -1.59 0.00 0.00 0.00 0.00 178.15 176.55 2kwc h ALA 22 N 2.03 0.08 -0.03 1.87 0.00 0.04 0.13 119.26 123.39 2kwc h ALA 22 Ca 0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 54.91 53.70 2kwc h ALA 22 Cb 0.18 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2kwc h ALA 22 CO 0.00 0.94 -0.78 0.22 0.00 0.00 0.00 179.25 179.63 2kwc h ASP 23 N 0.11 0.30 0.24 0.00 1.82 -0.63 0.54 116.42 118.79 2kwc h ASP 23 Ca -0.28 -0.21 -0.33 0.00 -0.39 0.00 0.00 57.03 55.81 2kwc h ASP 23 Cb 2.10 -0.09 0.03 0.00 0.68 0.00 0.00 39.33 42.05 2kwc h ASP 23 CO 0.21 0.97 -1.50 0.03 -1.61 0.00 0.00 179.24 177.34 2kwc h ARG 24 N 0.15 0.50 -1.97 0.28 2.47 -0.56 -3.42 114.38 111.83 2kwc h ARG 24 Ca -0.03 -0.85 -0.45 0.00 -1.26 0.00 0.00 59.98 57.38 2kwc h ARG 24 Cb 1.37 0.32 -0.32 0.00 -1.65 0.00 0.00 29.97 29.69 2kwc h ARG 24 CO 0.12 1.41 -0.82 -0.06 0.56 0.00 0.00 179.97 181.18 2kwc s PHE 25 N -2.58 0.23 -1.99 3.04 0.08 0.45 -4.95 117.98 112.25 2kwc s PHE 25 Ca -0.11 -1.70 0.24 0.00 0.12 0.00 0.00 56.93 55.48 2kwc s PHE 25 Cb 0.04 -0.54 1.43 0.00 -0.57 0.00 0.00 43.02 43.38 2kwc s PHE 25 CO 0.92 -0.96 1.80 -0.35 -0.10 0.00 0.00 175.22 176.53 2kwc n PRO 26 N 3.04 0.75 -0.52 0.24 -0.04 0.18 -2.10 135.00 136.54 2kwc n PRO 26 Ca 0.24 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.79 2kwc n PRO 26 Cb 0.49 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.74 2kwc n PRO 26 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kwc n ASN 27 N -1.00 4.26 -4.24 3.54 3.02 -1.26 -4.97 115.26 114.60 2kwc n ASN 27 Ca 0.18 -2.73 -0.23 0.00 -0.03 0.00 0.00 54.58 51.76 2kwc n ASN 27 Cb 0.08 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.70 2kwc n ASN 27 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kwc n ARG 28 N 0.18 0.90 -3.37 3.52 5.12 -0.89 -3.29 116.66 118.83 2kwc n ARG 28 Ca 0.22 -2.87 -0.18 0.00 -1.93 0.00 0.00 57.85 53.09 2kwc n ARG 28 Cb 0.88 0.50 -0.08 0.00 -1.16 0.00 0.00 32.46 32.60 2kwc n ARG 28 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2kwc s ILE 29 N -2.31 -0.29 -0.76 0.55 1.01 0.47 -4.71 121.20 115.15 2kwc s ILE 29 Ca 0.15 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 2kwc s ILE 29 Cb -0.01 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.73 2kwc s ILE 29 CO 0.09 -0.62 1.60 -2.16 0.00 0.00 0.00 174.94 173.86 2kwc s PRO 30 N 1.45 2.96 0.06 2.79 0.04 -1.26 -2.53 135.00 138.52 2kwc s PRO 30 Ca 0.17 -0.08 -0.24 0.00 0.04 0.00 0.00 61.00 60.88 2kwc s PRO 30 Cb -0.16 -4.55 -0.06 0.00 0.04 0.00 0.00 34.50 29.77 2kwc s PRO 30 CO -0.05 -2.54 0.72 0.08 0.04 0.00 0.00 177.00 175.26 2kwc s VAL 31 N 7.41 4.69 -0.57 -0.36 1.01 0.12 -3.74 120.40 128.95 2kwc s VAL 31 Ca 0.53 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 64.04 2kwc s VAL 31 Cb -0.08 -4.07 0.15 0.00 0.00 0.00 0.00 36.38 32.37 2kwc s VAL 31 CO 0.11 0.42 0.37 -0.63 0.00 0.00 0.00 175.10 175.37 2kwc s ILE 32 N -0.39 3.44 0.42 2.22 -1.09 -0.98 -2.42 121.20 122.40 2kwc s ILE 32 Ca 0.36 -2.87 -0.07 0.00 -2.23 0.00 0.00 60.65 55.84 2kwc s ILE 32 Cb -0.21 -3.28 -0.05 0.00 -1.58 0.00 0.00 42.46 37.34 2kwc s ILE 32 CO 0.22 -0.83 0.74 0.00 -1.23 0.00 0.00 174.94 173.85 2kwc s GLU 34 N -4.24 0.11 0.33 0.00 8.01 -0.39 -4.69 118.70 117.83 2kwc s GLU 34 Ca 0.48 0.24 -0.24 0.00 0.01 0.00 0.00 54.97 55.47 2kwc s GLU 34 Cb -0.10 -0.81 -0.16 0.00 -4.31 0.00 0.00 34.13 28.75 2kwc s GLU 34 CO 0.38 -0.37 0.32 1.17 0.01 0.00 0.00 175.26 176.76 2kwc n LYS 35 N 5.26 0.11 -3.53 1.61 3.00 -1.26 -4.34 118.16 119.01 2kwc n LYS 35 Ca -0.05 0.04 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 2kwc n LYS 35 Cb 0.50 -1.08 -0.10 0.00 0.00 0.00 0.00 35.03 34.34 2kwc n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kwc s ALA 36 N -1.40 3.37 0.25 3.14 0.00 -1.24 -4.95 121.76 120.95 2kwc s ALA 36 Ca 0.61 -1.79 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 2kwc s ALA 36 Cb -0.74 -2.75 0.40 0.00 0.00 0.00 0.00 23.12 20.03 2kwc s ALA 36 CO 0.60 -1.47 1.59 1.05 0.00 0.00 0.00 175.76 177.53 2kwc h GLU 37 N 8.53 0.01 -0.99 0.00 4.11 -1.93 1.15 114.58 125.46 2kwc h GLU 37 Ca -0.26 -0.00 0.28 0.00 0.07 0.00 0.00 59.36 59.45 2kwc h GLU 37 Cb 1.11 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 2kwc h GLU 37 CO 0.72 0.01 0.54 0.87 0.07 0.00 0.00 179.01 181.21 2kwc h LYS 38 N 0.01 0.39 -6.58 1.06 6.56 -1.99 -3.41 116.57 112.62 2kwc h LYS 38 Ca 0.42 -0.02 -0.52 0.00 -1.06 0.00 0.00 60.65 59.46 2kwc h LYS 38 Cb 0.67 -0.09 0.22 0.00 -0.57 0.00 0.00 32.23 32.47 2kwc h LYS 38 CO -0.84 0.26 -0.99 0.45 -2.06 0.00 0.00 179.45 176.26 2kwc n SER 39 N -5.01 -2.99 -0.03 0.86 2.88 0.39 -4.92 113.62 104.80 2kwc n SER 39 Ca 0.29 0.23 0.03 0.00 -1.33 0.00 0.00 58.87 58.08 2kwc n SER 39 Cb 0.86 -1.05 0.04 0.00 -0.75 0.00 0.00 64.21 63.31 2kwc n SER 39 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kwc n ASP 40 N -0.18 1.97 -4.94 -3.46 2.03 -1.26 -4.96 116.55 105.75 2kwc n ASP 40 Ca 0.04 -2.30 -0.24 0.00 0.52 0.00 0.00 54.79 52.81 2kwc n ASP 40 Cb 0.56 -0.14 0.01 0.00 -0.72 0.00 0.00 41.12 40.83 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2kwc s ILE 41 N -1.52 4.11 0.12 5.18 -4.36 -1.26 -5.02 121.20 118.46 2kwc s ILE 41 Ca 0.10 -0.29 -0.30 0.00 -0.26 0.00 0.00 60.65 59.90 2kwc s ILE 41 Cb 0.09 -3.55 -0.07 0.00 1.25 0.00 0.00 42.46 40.18 2kwc s ILE 41 CO 0.01 -0.44 1.14 -2.16 0.24 0.00 0.00 174.94 173.72 2kwc s PRO 42 N -4.66 4.52 1.15 0.37 0.04 -1.26 -5.01 135.00 130.15 2kwc s PRO 42 Ca 0.49 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 63.09 2kwc s PRO 42 Cb -0.10 -3.31 0.17 0.00 0.04 0.00 0.00 34.50 31.30 2kwc s PRO 42 CO 0.40 -0.07 0.28 -1.91 0.04 0.00 0.00 177.00 175.74 2kwc n GLU 43 N 3.06 -2.06 -2.04 4.56 2.13 -1.26 -4.90 120.64 120.12 2kwc n GLU 43 Ca 0.05 -0.58 -0.07 0.00 0.66 0.00 0.00 57.16 57.22 2kwc n GLU 43 Cb 0.46 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.38 2kwc n GLU 43 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2kwc n ILE 44 N -4.65 0.00 -0.04 6.31 -5.35 -1.26 -4.93 119.36 109.44 2kwc n ILE 44 Ca 0.02 -0.55 -0.06 0.00 -0.27 0.00 0.00 62.75 61.89 2kwc n ILE 44 Cb 0.59 -0.42 -0.05 0.00 -1.74 0.00 0.00 39.64 38.02 2kwc n ILE 44 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2kwc h ASP 45 N 0.16 -0.03 -5.27 7.28 3.45 -1.96 -3.49 116.42 116.55 2kwc h ASP 45 Ca -0.09 -0.36 -0.14 0.00 0.43 0.00 0.00 57.03 56.87 2kwc h ASP 45 Cb 0.32 0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 39.05 2kwc h ASP 45 CO 0.14 0.64 0.02 -1.59 -1.57 0.00 0.00 179.24 176.87 2kwc s LYS 46 N -1.96 2.01 -0.41 3.56 0.00 -1.26 -5.13 119.74 116.56 2kwc s LYS 46 Ca -0.07 -1.56 -0.05 0.00 0.00 0.00 0.00 55.97 54.28 2kwc s LYS 46 Cb -0.01 0.53 0.10 0.00 0.00 0.00 0.00 37.83 38.44 2kwc s LYS 46 CO 0.27 -0.89 0.21 1.03 0.00 0.00 0.00 175.35 175.97 2kwc s ARG 47 N -2.86 2.21 -0.29 1.78 0.52 -1.26 -5.02 118.95 114.03 2kwc s ARG 47 Ca 0.23 -1.69 -0.03 0.00 -0.52 0.00 0.00 55.73 53.72 2kwc s ARG 47 Cb -0.03 -3.61 0.17 0.00 0.52 0.00 0.00 34.95 32.00 2kwc s ARG 47 CO 0.15 -1.01 0.58 0.21 0.02 0.00 0.00 175.30 175.25 2kwc s LYS 48 N 1.23 0.54 -0.33 3.54 2.20 -1.26 -4.80 119.74 120.85 2kwc s LYS 48 Ca 0.05 1.03 -0.01 0.00 -0.36 0.00 0.00 55.97 56.69 2kwc s LYS 48 Cb -0.23 0.49 0.11 0.00 -1.51 0.00 0.00 37.83 36.70 2kwc s LYS 48 CO -0.02 -0.54 0.15 0.71 -0.36 0.00 0.00 175.35 175.29 2kwc s TYR 49 N 2.82 1.16 -0.73 4.03 2.02 -1.02 -5.03 117.35 120.61 2kwc s TYR 49 Ca 0.15 -1.59 -0.16 0.00 -0.37 0.00 0.00 57.07 55.11 2kwc s TYR 49 Cb -0.14 -1.35 0.17 0.00 -0.40 0.00 0.00 41.96 40.24 2kwc s TYR 49 CO -0.20 -0.84 0.71 -1.17 -1.57 0.00 0.00 175.55 172.48 2kwc s LEU 50 N 1.43 6.31 0.23 -1.29 2.96 -1.26 0.10 118.68 127.16 2kwc s LEU 50 Ca 0.13 -2.24 0.09 0.00 -0.22 0.00 0.00 54.13 51.88 2kwc s LEU 50 Cb -0.19 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 2kwc s LEU 50 CO -0.19 -0.76 0.01 0.68 -1.32 0.00 0.00 176.35 174.78 2kwc s VAL 51 N 1.06 3.63 0.98 1.68 -7.23 -1.05 -4.87 120.40 114.60 2kwc s VAL 51 Ca 0.14 -1.70 -0.14 0.00 -1.81 0.00 0.00 61.98 58.47 2kwc s VAL 51 Cb -0.17 -2.90 0.18 0.00 0.56 0.00 0.00 36.38 34.05 2kwc s VAL 51 CO -0.04 -0.28 1.17 -2.16 -0.31 0.00 0.00 175.10 173.48 2kwc s PRO 52 N -3.42 0.56 -0.08 4.82 0.04 -1.26 0.18 135.00 135.83 2kwc s PRO 52 Ca 0.30 0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.49 2kwc s PRO 52 Cb -0.08 -1.79 0.36 0.00 0.04 0.00 0.00 34.50 33.04 2kwc s PRO 52 CO 0.20 -2.55 1.12 0.00 0.04 0.00 0.00 177.00 175.81 2kwc n ALA 53 N -3.97 2.98 0.20 8.56 0.00 -1.21 -3.16 120.51 123.92 2kwc n ALA 53 Ca 0.10 -0.82 0.02 0.00 0.00 0.00 0.00 53.44 52.74 2kwc n ALA 53 Cb 0.59 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 2kwc n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kwc n ASP 54 N 0.34 0.38 -4.87 0.00 9.92 -1.26 -4.31 116.55 116.76 2kwc n ASP 54 Ca 0.13 -0.69 -0.31 0.00 -0.53 0.00 0.00 54.79 53.39 2kwc n ASP 54 Cb 0.59 0.86 -0.01 0.00 -0.64 0.00 0.00 41.12 41.92 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2kwc s LEU 55 N -1.94 3.44 0.15 0.64 0.20 -1.19 -4.96 118.68 115.02 2kwc s LEU 55 Ca 0.02 1.39 0.10 0.00 0.69 0.00 0.00 54.13 56.34 2kwc s LEU 55 Cb 0.03 -4.39 -0.04 0.00 -0.43 0.00 0.00 46.19 41.37 2kwc s LEU 55 CO 0.16 -0.72 -0.21 0.42 -0.29 0.00 0.00 176.35 175.71 2kwc s THR 56 N -2.90 2.56 0.30 3.68 -4.23 -1.26 -2.11 115.64 111.68 2kwc s THR 56 Ca 0.55 -1.77 -0.02 0.00 -1.18 0.00 0.00 61.69 59.27 2kwc s THR 56 Cb -0.11 -2.20 0.42 0.00 1.34 0.00 0.00 72.50 71.96 2kwc s THR 56 CO 0.44 -0.00 1.57 0.58 -0.54 0.00 0.00 174.62 176.67 2kwc h VAL 57 N 3.42 0.02 -0.96 2.29 2.07 -1.52 0.41 116.25 121.99 2kwc h VAL 57 Ca -0.49 -0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.18 2kwc h VAL 57 Cb 1.19 0.02 -0.15 0.00 -1.52 0.00 0.00 31.29 30.82 2kwc h VAL 57 CO 0.46 0.00 -0.38 0.61 0.02 0.00 0.00 177.57 178.28 2kwc n GLY 58 N -1.54 -2.00 0.23 2.17 0.00 -0.97 -0.06 105.19 103.02 2kwc n GLY 58 Ca 0.20 1.08 -0.14 0.00 0.00 0.00 0.00 46.02 47.17 2kwc n GLY 58 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kwc h GLN 59 N 0.00 -0.41 -0.50 1.61 4.20 -0.45 -2.64 115.11 116.92 2kwc h GLN 59 Ca 0.33 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.16 2kwc h GLN 59 Cb 0.57 0.09 -0.10 0.00 0.30 0.00 0.00 27.48 28.34 2kwc h GLN 59 CO -0.95 -0.27 -0.36 0.35 -0.67 0.00 0.00 178.83 176.93 2kwc h PHE 60 N -0.42 -1.01 -0.80 2.96 3.57 -0.19 1.11 116.94 122.16 2kwc h PHE 60 Ca -0.01 0.07 0.23 0.00 3.53 0.00 0.00 57.97 61.79 2kwc h PHE 60 Cb 0.38 0.52 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2kwc h PHE 60 CO -0.13 -0.40 0.65 0.28 -2.23 0.00 0.00 178.31 176.48 2kwc h VAL 61 N -0.23 0.45 0.00 1.41 2.07 -0.51 -0.42 116.25 119.02 2kwc h VAL 61 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2kwc h VAL 61 Cb 0.55 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2kwc h VAL 61 CO -0.62 0.00 -0.03 0.22 0.02 0.00 0.00 177.57 177.16 2kwc h TYR 62 N 0.00 0.00 -0.95 1.57 3.20 0.14 -3.06 116.97 117.87 2kwc h TYR 62 Ca 0.38 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.43 2kwc h TYR 62 Cb 1.67 0.00 -0.18 0.00 1.54 0.00 0.00 36.73 39.77 2kwc h TYR 62 CO 0.00 0.00 -0.27 0.28 -1.64 0.00 0.00 178.16 176.53 2kwc h VAL 63 N -0.96 0.04 -0.11 1.81 2.07 0.50 0.76 116.25 120.36 2kwc h VAL 63 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2kwc h VAL 63 Cb 0.03 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.80 2kwc h VAL 63 CO 0.00 0.00 -0.19 0.40 0.02 0.00 0.00 177.57 177.80 2kwc h ILE 64 N -0.00 0.52 -0.38 4.57 5.03 -1.25 0.29 117.51 126.28 2kwc h ILE 64 Ca 0.43 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 65.28 2kwc h ILE 64 Cb 0.68 0.52 -0.02 0.00 -3.03 0.00 0.00 36.82 34.97 2kwc h ILE 64 CO -0.98 0.00 0.65 -0.09 -0.68 0.00 0.00 178.15 177.05 2kwc h ARG 65 N -0.25 0.00 -0.07 2.37 2.43 0.60 0.93 114.38 120.39 2kwc h ARG 65 Ca 0.09 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 2kwc h ARG 65 Cb 0.39 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2kwc h ARG 65 CO -0.26 0.00 -0.54 0.87 -1.51 0.00 0.00 179.97 178.53 2kwc h LYS 66 N 0.00 0.50 0.00 0.20 1.79 0.57 1.45 116.57 121.08 2kwc h LYS 66 Ca 0.18 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2kwc h LYS 66 Cb 1.48 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.23 2kwc h LYS 66 CO -0.00 1.07 0.00 0.00 -1.08 0.00 0.00 179.45 179.44 2kwc h ARG 67 N 0.07 0.00 0.00 3.15 2.47 0.12 -0.04 114.38 120.15 2kwc h ARG 67 Ca -0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2kwc h ARG 67 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2kwc h ARG 67 CO 0.11 0.00 -0.49 0.44 0.56 0.00 0.00 179.97 180.59 2kwc n ILE 68 N -2.88 0.00 -4.31 2.04 -5.35 -0.98 -4.71 119.36 103.17 2kwc n ILE 68 Ca -0.02 -0.31 -0.32 0.00 -0.27 0.00 0.00 62.75 61.83 2kwc n ILE 68 Cb 0.08 0.88 -0.09 0.00 -1.74 0.00 0.00 39.64 38.78 2kwc n ILE 68 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 2kwc n MET 69 N -1.26 -1.19 -1.74 6.28 0.00 0.49 -4.87 117.12 114.84 2kwc n MET 69 Ca 0.01 0.13 -0.33 0.00 0.00 0.00 0.00 57.70 57.51 2kwc n MET 69 Cb 0.12 -3.86 0.05 0.00 0.00 0.00 0.00 33.22 29.53 2kwc n MET 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2kwc s LEU 70 N -7.33 3.36 0.89 3.17 1.02 -0.99 -5.03 118.68 113.77 2kwc s LEU 70 Ca 0.13 1.95 -0.12 0.00 0.02 0.00 0.00 54.13 56.11 2kwc s LEU 70 Cb -0.07 -4.54 0.13 0.00 0.02 0.00 0.00 46.19 41.72 2kwc s LEU 70 CO 0.99 -1.61 1.13 -2.16 0.02 0.00 0.00 176.35 174.72 2kwc s PRO 71 N -4.20 1.28 0.00 1.29 0.04 -1.26 -4.92 135.00 127.23 2kwc s PRO 71 Ca 0.66 0.34 0.24 0.00 0.04 0.00 0.00 61.00 62.28 2kwc s PRO 71 Cb -0.19 -1.85 1.40 0.00 0.04 0.00 0.00 34.50 33.89 2kwc s PRO 71 CO 0.43 -2.11 1.79 -0.35 0.04 0.00 0.00 177.00 176.79 2kwc n PRO 72 N -3.72 0.70 -0.05 0.56 -0.04 -1.26 -2.46 135.00 128.74 2kwc n PRO 72 Ca 0.07 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 2kwc n PRO 72 Cb 0.59 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.40 2kwc n PRO 72 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kwc n GLU 73 N -1.03 0.66 -0.79 0.54 0.28 -1.26 -4.95 120.64 114.08 2kwc n GLU 73 Ca 0.17 0.13 -0.29 0.00 -0.16 0.00 0.00 57.16 57.01 2kwc n GLU 73 Cb 0.09 -1.66 0.24 0.00 1.43 0.00 0.00 31.44 31.55 2kwc n GLU 73 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kwc s LYS 74 N -2.61 -1.17 -0.25 3.44 -0.14 -1.03 -5.05 119.74 112.93 2kwc s LYS 74 Ca -0.07 0.36 -0.02 0.00 -1.36 0.00 0.00 55.97 54.88 2kwc s LYS 74 Cb 0.07 -1.56 0.13 0.00 -1.68 0.00 0.00 37.83 34.79 2kwc s LYS 74 CO 0.83 -3.77 0.33 0.00 -0.76 0.00 0.00 175.35 171.98 2kwc s ALA 75 N -2.68 -0.77 0.27 5.17 0.00 -1.26 -4.97 121.76 117.52 2kwc s ALA 75 Ca 0.68 0.37 0.08 0.00 0.00 0.00 0.00 51.96 53.09 2kwc s ALA 75 Cb -0.17 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2kwc s ALA 75 CO 0.59 -1.43 0.17 -1.50 0.00 0.00 0.00 175.76 173.60 2kwc s ILE 76 N 2.45 4.01 -0.05 0.00 2.07 -1.26 -3.82 121.20 124.61 2kwc s ILE 76 Ca 0.10 -1.52 -0.17 0.00 -1.41 0.00 0.00 60.65 57.66 2kwc s ILE 76 Cb -0.15 -3.23 0.03 0.00 0.13 0.00 0.00 42.46 39.24 2kwc s ILE 76 CO -0.21 -0.32 0.38 -0.36 -1.91 0.00 0.00 174.94 172.52 2kwc s PHE 77 N -2.22 -0.30 -0.10 3.50 0.40 0.77 -4.96 117.98 115.08 2kwc s PHE 77 Ca 0.34 0.54 -0.02 0.00 -0.60 0.00 0.00 56.93 57.20 2kwc s PHE 77 Cb -0.07 0.15 -0.03 0.00 0.51 0.00 0.00 43.02 43.58 2kwc s PHE 77 CO 0.24 -0.38 -0.02 0.42 0.70 0.00 0.00 175.22 176.17 2kwc s ILE 78 N -1.00 4.08 -0.11 0.64 -1.09 -1.26 -1.11 121.20 121.34 2kwc s ILE 78 Ca -0.11 -0.32 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 2kwc s ILE 78 Cb -0.04 -2.72 0.02 0.00 -1.58 0.00 0.00 42.46 38.14 2kwc s ILE 78 CO 0.04 0.58 -0.12 -0.36 -1.23 0.00 0.00 174.94 173.85 2kwc s PHE 79 N -0.57 1.76 -0.12 3.97 0.40 -0.49 -4.46 117.98 118.48 2kwc s PHE 79 Ca 0.09 -0.87 -0.01 0.00 -0.60 0.00 0.00 56.93 55.54 2kwc s PHE 79 Cb -0.12 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 2kwc s PHE 79 CO 0.02 -0.51 -0.08 0.54 0.70 0.00 0.00 175.22 175.89 2kwc s VAL 80 N 1.35 3.54 -1.14 -0.44 0.11 -0.26 -2.84 120.40 120.73 2kwc s VAL 80 Ca -0.00 -0.50 -0.26 0.00 -2.93 0.00 0.00 61.98 58.29 2kwc s VAL 80 Cb -0.14 -2.50 0.02 0.00 -1.53 0.00 0.00 36.38 32.24 2kwc s VAL 80 CO -0.06 0.54 0.72 0.59 -3.33 0.00 0.00 175.10 173.56 2kwc n ASN 81 N 3.08 -4.76 -4.38 3.54 3.02 -1.26 0.81 115.26 115.30 2kwc n ASN 81 Ca -0.18 -1.13 -0.39 0.00 -0.03 0.00 0.00 54.58 52.85 2kwc n ASN 81 Cb 0.53 -2.40 -0.06 0.00 -0.61 0.00 0.00 39.78 37.24 2kwc n ASN 81 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kwc n ASP 82 N -2.38 -2.21 -1.85 6.41 10.43 -1.26 -4.87 116.55 120.82 2kwc n ASP 82 Ca -0.12 -1.14 -0.07 0.00 2.57 0.00 0.00 54.79 56.02 2kwc n ASP 82 Cb 0.58 -2.14 -0.03 0.00 1.84 0.00 0.00 41.12 41.38 2kwc n ASP 82 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 2kwc n THR 83 N -4.24 0.00 -3.59 -3.53 5.66 0.24 -5.03 114.28 103.79 2kwc n THR 83 Ca 0.06 -0.89 -0.29 0.00 -3.05 0.00 0.00 64.05 59.87 2kwc n THR 83 Cb 0.49 0.46 -0.15 0.00 -1.55 0.00 0.00 70.33 69.58 2kwc n THR 83 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2kwc s LEU 84 N 0.00 0.91 0.62 1.09 2.96 -1.26 -1.10 118.68 121.90 2kwc s LEU 84 Ca 0.15 -1.34 -0.14 0.00 -0.22 0.00 0.00 54.13 52.57 2kwc s LEU 84 Cb 0.01 -0.46 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 2kwc s LEU 84 CO 0.10 -0.43 1.05 -2.16 -1.32 0.00 0.00 176.35 173.59 2kwc s PRO 85 N 1.99 3.24 0.70 0.98 0.04 -1.26 -4.99 135.00 135.70 2kwc s PRO 85 Ca 0.09 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.12 2kwc s PRO 85 Cb -0.16 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2kwc s PRO 85 CO -0.34 -0.87 1.06 -1.25 0.04 0.00 0.00 177.00 175.65 2kwc s PRO 86 N -4.41 2.88 0.00 0.56 0.04 -1.26 -4.94 135.00 127.87 2kwc s PRO 86 Ca 0.61 0.93 0.31 0.00 0.04 0.00 0.00 61.00 62.90 2kwc s PRO 86 Cb -0.15 -1.99 1.74 0.00 0.04 0.00 0.00 34.50 34.15 2kwc s PRO 86 CO 0.43 -1.13 2.15 -2.37 0.04 0.00 0.00 177.00 176.12 2kwc n THR 87 N -3.15 0.00 -0.06 1.26 5.66 -1.26 -2.82 114.28 113.91 2kwc n THR 87 Ca 0.07 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.04 2kwc n THR 87 Cb 0.54 -0.50 -0.15 0.00 -1.55 0.00 0.00 70.33 68.66 2kwc n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kwc n ALA 88 N -1.12 1.90 -1.61 1.79 0.00 -1.26 -2.28 120.51 117.93 2kwc n ALA 88 Ca 0.20 -1.02 -0.46 0.00 0.00 0.00 0.00 53.44 52.16 2kwc n ALA 88 Cb 0.17 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 2kwc n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kwc n ALA 89 N -2.57 -0.07 -2.71 0.00 0.00 -1.13 -4.77 120.51 109.26 2kwc n ALA 89 Ca -0.22 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.24 2kwc n ALA 89 Cb 0.96 -2.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 2kwc n ALA 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2kwc s LEU 90 N 0.36 4.31 0.43 0.00 2.96 -1.26 -1.88 118.68 123.59 2kwc s LEU 90 Ca 0.65 1.06 0.25 0.00 -0.22 0.00 0.00 54.13 55.86 2kwc s LEU 90 Cb -0.73 -2.94 1.35 0.00 0.50 0.00 0.00 46.19 44.36 2kwc s LEU 90 CO 0.56 -0.07 1.73 0.24 -1.32 0.00 0.00 176.35 177.49 2kwc h MET 91 N 6.71 0.00 0.00 1.98 2.86 -1.73 0.16 114.93 124.92 2kwc h MET 91 Ca -0.41 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.23 2kwc h MET 91 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2kwc h MET 91 CO 0.75 0.00 -0.00 0.66 1.06 0.00 0.00 176.91 179.38 2kwc h SER 92 N 0.00 -0.00 0.88 1.22 4.64 -1.80 0.59 113.55 119.08 2kwc h SER 92 Ca 0.00 -0.74 -0.11 0.00 -0.47 0.00 0.00 61.79 60.47 2kwc h SER 92 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2kwc h SER 92 CO 0.00 0.74 -0.54 0.00 -0.87 0.00 0.00 176.83 176.17 2kwc h ALA 93 N 0.26 0.87 0.34 5.18 0.00 -1.52 -2.07 119.26 122.32 2kwc h ALA 93 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2kwc h ALA 93 Cb 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2kwc h ALA 93 CO 0.00 0.67 -0.16 0.82 0.00 0.00 0.00 179.25 180.58 2kwc h ILE 94 N 0.00 0.30 0.00 0.00 1.08 -0.79 -2.71 117.51 115.39 2kwc h ILE 94 Ca -0.01 -0.74 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 2kwc h ILE 94 Cb 1.12 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2kwc h ILE 94 CO 0.07 0.07 0.00 0.22 -0.69 0.00 0.00 178.15 177.82 2kwc h TYR 95 N -1.04 0.00 0.02 1.37 5.03 -0.92 1.50 116.97 122.93 2kwc h TYR 95 Ca -0.05 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 61.05 2kwc h TYR 95 Cb 0.47 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 2kwc h TYR 95 CO 0.03 0.00 -0.96 1.96 -1.32 0.00 0.00 178.16 177.86 2kwc h GLN 96 N 0.00 0.23 -0.01 1.82 4.20 -1.29 -2.33 115.11 117.73 2kwc h GLN 96 Ca 0.00 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2kwc h GLN 96 Cb 0.02 0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2kwc h GLN 96 CO 0.00 1.03 -0.05 0.39 -0.67 0.00 0.00 178.83 179.53 2kwc n GLU 97 N -3.63 1.02 -0.55 1.46 1.02 0.03 -4.37 120.64 115.62 2kwc n GLU 97 Ca -0.05 -1.17 0.07 0.00 -0.02 0.00 0.00 57.16 55.99 2kwc n GLU 97 Cb 0.86 -1.23 0.16 0.00 -0.02 0.00 0.00 31.44 31.21 2kwc n GLU 97 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kwc n HIS 98 N 0.57 0.00 -2.96 -0.32 8.25 0.49 -5.04 115.22 116.21 2kwc n HIS 98 Ca 0.07 -1.20 -0.40 0.00 -0.26 0.00 0.00 57.72 55.94 2kwc n HIS 98 Cb 0.31 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 2kwc n HIS 98 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2kwc s LYS 99 N -2.66 4.53 0.73 -0.41 2.36 -0.88 -4.37 119.74 119.04 2kwc s LYS 99 Ca 0.34 1.12 0.00 0.00 -2.55 0.00 0.00 55.97 54.88 2kwc s LYS 99 Cb 0.33 -3.35 0.14 0.00 -1.05 0.00 0.00 37.83 33.91 2kwc s LYS 99 CO -0.05 0.33 1.01 0.34 1.55 0.00 0.00 175.35 178.53 2kwc s ASP 100 N -0.26 4.26 0.00 1.43 2.15 -0.61 -4.96 116.67 118.69 2kwc s ASP 100 Ca 0.39 -0.49 0.29 0.00 0.43 0.00 0.00 52.55 53.17 2kwc s ASP 100 Cb -0.21 0.18 1.71 0.00 -0.30 0.00 0.00 42.92 44.30 2kwc s ASP 100 CO 0.24 -1.93 2.06 0.29 -0.17 0.00 0.00 175.17 175.66 2kwc n LYS 101 N -2.85 0.86 0.00 4.34 4.76 -1.26 -2.09 118.16 121.92 2kwc n LYS 101 Ca 0.16 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.71 2kwc n LYS 101 Cb 0.61 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.32 2kwc n LYS 101 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kwc n ASP 102 N -1.03 2.12 0.00 4.39 10.43 -1.26 -4.92 116.55 126.29 2kwc n ASP 102 Ca 0.21 -1.56 0.00 0.00 2.57 0.00 0.00 54.79 56.01 2kwc n ASP 102 Cb 0.11 0.37 0.00 0.00 1.84 0.00 0.00 41.12 43.44 2kwc n ASP 102 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2kwc n GLY 103 N 1.32 1.23 3.68 0.44 0.00 -0.89 -3.03 105.19 107.94 2kwc n GLY 103 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2kwc n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kwc n PHE 104 N -2.00 -1.67 -4.21 1.61 3.72 -1.26 -4.80 117.46 108.85 2kwc n PHE 104 Ca 0.00 -2.09 -0.25 0.00 -0.05 0.00 0.00 57.45 55.05 2kwc n PHE 104 Cb 0.00 -0.49 -0.07 0.00 -0.94 0.00 0.00 39.48 37.98 2kwc n PHE 104 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kwc s LEU 105 N 0.00 3.34 -0.26 4.37 2.01 -1.24 -1.58 118.68 125.32 2kwc s LEU 105 Ca 0.47 -0.43 0.00 0.00 0.01 0.00 0.00 54.13 54.19 2kwc s LEU 105 Cb -0.04 -1.96 0.08 0.00 0.01 0.00 0.00 46.19 44.28 2kwc s LEU 105 CO 0.30 0.06 0.02 -0.72 1.01 0.00 0.00 176.35 177.02 2kwc s TYR 106 N -1.88 2.15 0.14 0.29 1.13 -1.26 -2.33 117.35 115.59 2kwc s TYR 106 Ca 0.29 -1.77 0.03 0.00 -1.41 0.00 0.00 57.07 54.22 2kwc s TYR 106 Cb -0.09 -1.70 -0.04 0.00 -1.10 0.00 0.00 41.96 39.02 2kwc s TYR 106 CO 0.19 -0.80 -0.08 0.54 -2.51 0.00 0.00 175.55 172.90 2kwc s VAL 107 N 1.47 0.99 -0.10 -3.49 0.11 -1.21 -4.43 120.40 113.75 2kwc s VAL 107 Ca 0.02 -2.02 -0.04 0.00 -2.93 0.00 0.00 61.98 57.01 2kwc s VAL 107 Cb -0.18 -1.86 0.05 0.00 -1.53 0.00 0.00 36.38 32.86 2kwc s VAL 107 CO -0.12 -0.73 0.20 -0.89 -3.33 0.00 0.00 175.10 170.23 2kwc s THR 108 N -3.44 -0.18 -0.05 5.04 2.01 -1.13 -1.26 115.64 116.63 2kwc s THR 108 Ca 0.17 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.41 2kwc s THR 108 Cb 0.04 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2kwc s THR 108 CO -0.00 0.10 -0.04 -0.72 -0.69 0.00 0.00 174.62 173.27 2kwc s TYR 109 N 1.74 3.02 0.04 4.92 -0.85 -1.26 -1.39 117.35 123.57 2kwc s TYR 109 Ca -0.04 0.07 -0.01 0.00 -0.52 0.00 0.00 57.07 56.57 2kwc s TYR 109 Cb -0.11 -1.71 -0.03 0.00 0.38 0.00 0.00 41.96 40.48 2kwc s TYR 109 CO -0.07 0.40 -0.01 -1.12 -1.52 0.00 0.00 175.55 173.22 2kwc s SER 110 N -1.04 0.40 0.00 -0.18 0.01 -0.27 -3.59 113.70 109.03 2kwc s SER 110 Ca 0.14 -0.84 0.22 0.00 1.31 0.00 0.00 55.95 56.78 2kwc s SER 110 Cb -0.11 0.19 1.32 0.00 0.21 0.00 0.00 66.02 67.62 2kwc s SER 110 CO 0.04 -0.53 1.77 0.61 0.41 0.00 0.00 173.24 175.54 2kwc n GLY 111 N 0.48 -0.87 3.34 3.44 0.00 -1.26 -0.16 105.19 110.15 2kwc n GLY 111 Ca -0.17 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 2kwc n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kwc s GLU 112 N -2.00 1.30 -1.18 1.61 2.12 -1.25 -4.42 118.70 114.88 2kwc s GLU 112 Ca 0.33 -1.48 -0.06 0.00 0.36 0.00 0.00 54.97 54.12 2kwc s GLU 112 Cb 0.15 -1.25 0.23 0.00 0.26 0.00 0.00 34.13 33.52 2kwc s GLU 112 CO 0.26 0.24 1.77 -1.71 -0.54 0.00 0.00 175.26 175.27 2kwc n ASN 113 N 0.01 6.11 -4.18 -1.70 2.85 -1.26 -4.50 115.26 112.59 2kwc n ASN 113 Ca -0.11 -3.29 -0.20 0.00 -0.11 0.00 0.00 54.58 50.87 2kwc n ASN 113 Cb 0.58 -1.36 -0.13 0.00 1.24 0.00 0.00 39.78 40.12 2kwc n ASN 113 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kwc s THR 114 N -1.45 1.23 -1.87 -0.44 -4.23 -1.26 -5.02 115.64 102.59 2kwc s THR 114 Ca 0.37 -1.24 0.27 0.00 -1.18 0.00 0.00 61.69 59.91 2kwc s THR 114 Cb 0.09 -1.14 0.33 0.00 1.34 0.00 0.00 72.50 73.12 2kwc s THR 114 CO 0.03 -0.11 1.62 0.49 -0.54 0.00 0.00 174.62 176.10 2kwc n PHE 115 N 1.47 0.00 0.00 3.99 3.01 -1.26 -4.98 117.46 119.69 2kwc n PHE 115 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 2kwc n PHE 115 Cb 0.54 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18