#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 0.00 -6.14 0.03 1.79 -2.04 -3.48 116.57 106.73 2kwc h LYS 2 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2kwc h LYS 2 Cb 0.00 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 2kwc h LYS 2 CO 0.00 0.00 -0.52 -1.54 -1.08 0.00 0.00 179.45 176.31 2kwc s SER 3 N -4.69 4.90 0.00 0.86 1.04 -1.26 -5.03 113.70 109.52 2kwc s SER 3 Ca -0.05 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2kwc s SER 3 Cb 0.01 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.28 2kwc s SER 3 CO 0.08 -0.28 0.26 1.07 0.98 0.00 0.00 173.24 175.35 2kwc n THR 4 N -1.20 0.00 0.00 2.02 5.66 -1.26 -4.33 114.28 115.17 2kwc n THR 4 Ca -0.03 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2kwc n THR 4 Cb 0.60 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 70.42 2kwc n THR 4 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2kwc n PHE 5 N -0.41 0.00 1.22 1.09 3.01 -1.26 -0.17 117.46 120.94 2kwc n PHE 5 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.59 2kwc n PHE 5 Cb 0.01 -0.09 0.46 0.00 -0.01 0.00 0.00 39.48 39.84 2kwc n PHE 5 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2kwc n LYS 6 N -0.78 0.51 -0.01 -1.08 0.00 -1.24 -1.55 118.16 114.01 2kwc n LYS 6 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 58.31 58.07 2kwc n LYS 6 Cb 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 35.03 33.53 2kwc n LYS 6 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kwc h SER 7 N 0.58 -0.00 0.09 3.14 0.87 -1.75 -3.42 113.55 113.04 2kwc h SER 7 Ca 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 2kwc h SER 7 Cb 0.45 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 2kwc h SER 7 CO 0.00 0.12 -1.58 -0.08 -0.53 0.00 0.00 176.83 174.76 2kwc h GLU 8 N -0.25 0.18 -6.96 2.24 4.57 -1.62 -3.48 114.58 109.26 2kwc h GLU 8 Ca -0.00 -0.31 -0.44 0.00 -1.18 0.00 0.00 59.36 57.43 2kwc h GLU 8 Cb 0.00 0.12 0.05 0.00 -0.16 0.00 0.00 28.75 28.76 2kwc h GLU 8 CO 0.00 1.15 0.04 0.71 -1.18 0.00 0.00 179.01 179.72 2kwc s TYR 9 N -2.47 2.88 0.94 0.92 2.02 0.77 -5.02 117.35 117.38 2kwc s TYR 9 Ca -0.23 0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 56.45 2kwc s TYR 9 Cb 0.06 -2.86 0.15 0.00 -0.40 0.00 0.00 41.96 38.90 2kwc s TYR 9 CO 0.72 -1.01 1.15 -1.25 -1.57 0.00 0.00 175.55 173.59 2kwc s PRO 10 N -4.89 0.93 0.14 -1.71 0.04 -1.21 -3.65 135.00 124.65 2kwc s PRO 10 Ca 0.58 0.21 0.15 0.00 0.04 0.00 0.00 61.00 61.98 2kwc s PRO 10 Cb -0.10 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 2kwc s PRO 10 CO 0.40 -2.33 1.08 0.27 0.04 0.00 0.00 177.00 176.46 2kwc h PHE 11 N -1.59 0.00 0.00 0.56 -5.15 -1.89 -3.26 116.94 105.61 2kwc h PHE 11 Ca -0.50 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.27 2kwc h PHE 11 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.49 2kwc h PHE 11 CO 0.00 0.60 0.00 0.93 -2.00 0.00 0.00 178.31 177.84 2kwc h GLU 12 N 0.00 0.00 0.78 6.09 5.08 -1.96 -2.97 114.58 121.60 2kwc h GLU 12 Ca -0.10 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2kwc h GLU 12 Cb 1.54 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.80 2kwc h GLU 12 CO 0.06 0.00 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.48 2kwc h LYS 13 N 0.00 -1.01 -0.23 2.33 1.63 -1.95 0.59 116.57 117.94 2kwc h LYS 13 Ca 0.00 0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2kwc h LYS 13 Cb 0.36 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 2kwc h LYS 13 CO 0.00 -0.67 0.15 0.07 -3.45 0.00 0.00 179.45 175.56 2kwc h ARG 14 N -1.06 0.27 0.00 1.90 0.11 -1.73 0.20 114.38 114.07 2kwc h ARG 14 Ca -0.11 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.85 2kwc h ARG 14 Cb 0.80 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.81 2kwc h ARG 14 CO 0.18 0.18 -0.53 -0.22 0.10 0.00 0.00 179.97 179.68 2kwc h LYS 15 N 0.28 0.00 0.08 0.08 3.64 -1.29 -2.53 116.57 116.82 2kwc h LYS 15 Ca 0.09 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2kwc h LYS 15 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2kwc h LYS 15 CO -0.02 0.53 -0.04 0.00 -2.27 0.00 0.00 179.45 177.65 2kwc h ALA 16 N 1.47 -0.15 -1.12 5.00 0.00 0.28 -2.86 119.26 121.88 2kwc h ALA 16 Ca -0.01 -0.02 0.38 0.00 0.00 0.00 0.00 54.91 55.26 2kwc h ALA 16 Cb 1.06 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 2kwc h ALA 16 CO 0.07 -0.14 0.68 1.05 0.00 0.00 0.00 179.25 180.90 2kwc h GLU 17 N -0.63 0.17 -0.51 0.00 4.11 -0.84 1.39 114.58 118.27 2kwc h GLU 17 Ca -0.01 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.36 2kwc h GLU 17 Cb 0.08 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2kwc h GLU 17 CO 0.02 0.11 0.12 0.66 0.07 0.00 0.00 179.01 179.99 2kwc h SER 18 N 0.18 0.78 -0.54 3.06 4.64 -1.54 -1.98 113.55 118.15 2kwc h SER 18 Ca 0.78 -0.23 0.16 0.00 -0.47 0.00 0.00 61.79 62.02 2kwc h SER 18 Cb 2.11 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.97 2kwc h SER 18 CO -0.55 0.81 0.45 -0.33 -0.87 0.00 0.00 176.83 176.35 2kwc h GLU 19 N 0.72 0.00 0.18 4.77 4.39 0.21 0.97 114.58 125.82 2kwc h GLU 19 Ca 0.16 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.55 2kwc h GLU 19 Cb 0.34 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.02 2kwc h GLU 19 CO 0.00 0.00 -1.35 0.00 -1.16 0.00 0.00 179.01 176.50 2kwc h ARG 20 N 0.00 0.57 0.00 2.33 3.08 -0.98 -2.27 114.38 117.10 2kwc h ARG 20 Ca 0.26 -0.85 0.00 0.00 0.07 0.00 0.00 59.98 59.45 2kwc h ARG 20 Cb 1.15 0.30 0.00 0.00 0.08 0.00 0.00 29.97 31.50 2kwc h ARG 20 CO -0.00 1.40 0.00 0.82 -1.07 0.00 0.00 179.97 181.12 2kwc h ILE 21 N 0.21 0.00 0.00 2.04 2.04 -0.20 0.13 117.51 121.73 2kwc h ILE 21 Ca -0.22 -0.80 -0.19 0.00 1.00 0.00 0.00 64.86 64.65 2kwc h ILE 21 Cb 2.03 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 39.88 2kwc h ILE 21 CO 0.25 0.00 -1.02 0.00 0.00 0.00 0.00 178.15 177.38 2kwc h ALA 22 N 2.03 0.52 0.00 1.87 0.00 0.80 0.20 119.26 124.69 2kwc h ALA 22 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2kwc h ALA 22 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2kwc h ALA 22 CO 0.00 1.12 -1.08 -3.47 0.00 0.00 0.00 179.25 175.81 2kwc n ASP 23 N -3.23 0.60 -0.07 0.00 4.64 -0.86 -3.63 116.55 114.00 2kwc n ASP 23 Ca -0.03 -0.14 -0.06 0.00 -1.38 0.00 0.00 54.79 53.18 2kwc n ASP 23 Cb 0.90 0.83 -0.02 0.00 -1.04 0.00 0.00 41.12 41.79 2kwc n ASP 23 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2kwc n ARG 24 N -2.05 0.40 -3.66 -0.67 3.00 0.44 -4.82 116.66 109.30 2kwc n ARG 24 Ca 0.01 0.25 -0.27 0.00 -0.00 0.00 0.00 57.85 57.84 2kwc n ARG 24 Cb 0.46 -1.31 -0.10 0.00 0.00 0.00 0.00 32.46 31.51 2kwc n ARG 24 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kwc n PHE 25 N -4.07 2.54 1.49 -0.14 3.72 0.70 -4.89 117.46 116.82 2kwc n PHE 25 Ca -0.10 -4.09 0.12 0.00 -0.05 0.00 0.00 57.45 53.34 2kwc n PHE 25 Cb 0.36 -0.47 0.71 0.00 -0.94 0.00 0.00 39.48 39.14 2kwc n PHE 25 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kwc n PRO 26 N 1.76 0.75 0.00 -1.08 -0.04 -1.20 -1.83 135.00 133.36 2kwc n PRO 26 Ca 0.24 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 2kwc n PRO 26 Cb 0.40 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 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 1.62 -4.07 3.54 3.02 -1.26 -4.96 115.26 112.14 2kwc n ASN 27 Ca 0.18 -1.31 -0.18 0.00 -0.03 0.00 0.00 54.58 53.24 2kwc n ASN 27 Cb 0.08 0.64 0.09 0.00 -0.61 0.00 0.00 39.78 39.99 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 -0.49 0.06 -3.40 3.52 5.12 -0.76 -2.58 116.66 118.13 2kwc n ARG 28 Ca 0.07 -2.21 -0.20 0.00 -1.93 0.00 0.00 57.85 53.57 2kwc n ARG 28 Cb 0.40 -0.52 -0.10 0.00 -1.16 0.00 0.00 32.46 31.08 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 -2.42 -0.23 -0.93 0.55 1.01 0.49 -4.71 121.20 114.97 2kwc s ILE 29 Ca 0.53 -1.02 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 2kwc s ILE 29 Cb -0.03 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.58 2kwc s ILE 29 CO 0.35 -0.66 1.68 -2.16 0.00 0.00 0.00 174.94 174.16 2kwc s PRO 30 N 1.61 3.06 0.05 2.79 0.04 -1.26 -2.58 135.00 138.71 2kwc s PRO 30 Ca 0.15 -0.62 -0.24 0.00 0.04 0.00 0.00 61.00 60.33 2kwc s PRO 30 Cb -0.17 -5.12 -0.06 0.00 0.04 0.00 0.00 34.50 29.20 2kwc s PRO 30 CO -0.11 -2.75 0.72 0.08 0.04 0.00 0.00 177.00 174.98 2kwc s VAL 31 N 7.47 4.72 -0.61 -0.36 1.01 -0.49 -3.35 120.40 128.79 2kwc s VAL 31 Ca 0.57 1.54 -0.04 0.00 0.00 0.00 0.00 61.98 64.05 2kwc s VAL 31 Cb -0.04 -4.07 0.16 0.00 0.00 0.00 0.00 36.38 32.43 2kwc s VAL 31 CO -0.03 0.40 0.44 -0.63 0.00 0.00 0.00 175.10 175.28 2kwc s ILE 32 N -0.27 3.86 0.68 2.22 -1.09 -0.69 -2.40 121.20 123.50 2kwc s ILE 32 Ca 0.36 -2.77 -0.13 0.00 -2.23 0.00 0.00 60.65 55.88 2kwc s ILE 32 Cb -0.20 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 2kwc s ILE 32 CO 0.22 -0.87 1.08 0.00 -1.23 0.00 0.00 174.94 174.14 2kwc s GLU 34 N -4.51 0.46 0.30 0.00 2.02 0.44 -4.74 118.70 112.67 2kwc s GLU 34 Ca 0.62 0.10 -0.27 0.00 0.02 0.00 0.00 54.97 55.45 2kwc s GLU 34 Cb -0.17 -1.03 -0.14 0.00 0.10 0.00 0.00 34.13 32.89 2kwc s GLU 34 CO 0.47 -0.36 0.86 1.17 0.02 0.00 0.00 175.26 177.42 2kwc n LYS 35 N 5.17 1.00 -3.59 1.61 0.00 -1.26 -3.86 118.16 117.24 2kwc n LYS 35 Ca -0.06 0.35 -0.39 0.00 0.00 0.00 0.00 58.31 58.21 2kwc n LYS 35 Cb 0.50 -1.66 -0.11 0.00 0.00 0.00 0.00 35.03 33.76 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 -1.12 3.45 0.11 3.14 0.00 -1.22 -4.92 121.76 121.18 2kwc s ALA 36 Ca 0.60 -1.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.01 2kwc s ALA 36 Cb -0.72 -2.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 2kwc s ALA 36 CO 0.59 -0.81 1.65 1.05 0.00 0.00 0.00 175.76 178.24 2kwc h GLU 37 N 8.41 -0.41 -1.00 0.00 4.11 -1.92 -1.33 114.58 122.45 2kwc h GLU 37 Ca -0.33 0.03 0.33 0.00 0.07 0.00 0.00 59.36 59.46 2kwc h GLU 37 Cb 1.17 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.36 2kwc h GLU 37 CO 0.60 -0.27 0.55 0.87 0.07 0.00 0.00 179.01 180.83 2kwc h LYS 38 N -0.43 0.27 -6.56 1.06 1.57 -1.98 -3.41 116.57 107.10 2kwc h LYS 38 Ca 0.02 -0.02 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2kwc h LYS 38 Cb 0.44 -0.06 0.21 0.00 0.08 0.00 0.00 32.23 32.90 2kwc h LYS 38 CO -0.11 0.18 -0.85 0.45 -0.57 0.00 0.00 179.45 178.55 2kwc n SER 39 N -5.08 -2.87 -0.69 0.86 2.88 -0.50 -4.90 113.62 103.30 2kwc n SER 39 Ca 0.32 0.35 0.07 0.00 -1.33 0.00 0.00 58.87 58.28 2kwc n SER 39 Cb 1.01 -1.10 0.19 0.00 -0.75 0.00 0.00 64.21 63.56 2kwc n SER 39 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kwc n ASP 40 N 0.07 3.24 -4.94 -3.46 9.92 -1.26 -5.00 116.55 115.12 2kwc n ASP 40 Ca 0.05 -2.43 -0.24 0.00 -0.53 0.00 0.00 54.79 51.65 2kwc n ASP 40 Cb 0.53 -0.35 -0.00 0.00 -0.64 0.00 0.00 41.12 40.66 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2kwc s ILE 41 N -1.76 4.73 0.46 0.53 -4.36 -1.26 -5.05 121.20 114.48 2kwc s ILE 41 Ca 0.30 -0.42 -0.21 0.00 -0.26 0.00 0.00 60.65 60.05 2kwc s ILE 41 Cb 0.21 -3.74 -0.09 0.00 1.25 0.00 0.00 42.46 40.09 2kwc s ILE 41 CO 0.12 -0.51 1.04 -2.16 0.24 0.00 0.00 174.94 173.67 2kwc s PRO 42 N -4.43 3.90 1.06 0.37 0.04 -1.26 -5.03 135.00 129.65 2kwc s PRO 42 Ca 0.43 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 62.75 2kwc s PRO 42 Cb -0.10 -2.21 0.22 0.00 0.04 0.00 0.00 34.50 32.45 2kwc s PRO 42 CO 0.37 -0.35 1.07 -2.00 0.04 0.00 0.00 177.00 176.13 2kwc s GLU 43 N -3.04 -0.08 0.46 4.56 -6.30 -1.26 -4.93 118.70 108.12 2kwc s GLU 43 Ca 0.65 0.57 0.06 0.00 -2.50 0.00 0.00 54.97 53.74 2kwc s GLU 43 Cb -0.18 -1.67 -0.02 0.00 0.00 0.00 0.00 34.13 32.26 2kwc s GLU 43 CO 0.22 -3.09 0.23 0.96 0.02 0.00 0.00 175.26 173.60 2kwc s ILE 44 N -2.83 2.03 -0.07 -3.70 -4.36 -1.26 -4.88 121.20 106.13 2kwc s ILE 44 Ca 0.66 -1.66 -0.24 0.00 -0.26 0.00 0.00 60.65 59.15 2kwc s ILE 44 Cb -0.20 -2.68 -0.20 0.00 1.25 0.00 0.00 42.46 40.62 2kwc s ILE 44 CO 0.60 0.00 0.95 0.44 0.24 0.00 0.00 174.94 177.17 2kwc h ASP 45 N 1.22 -0.06 -5.71 4.36 5.19 -1.98 -3.48 116.42 115.95 2kwc h ASP 45 Ca -0.41 -0.57 -0.38 0.00 -0.62 0.00 0.00 57.03 55.05 2kwc h ASP 45 Cb 1.27 0.02 -0.10 0.00 0.18 0.00 0.00 39.33 40.70 2kwc h ASP 45 CO 0.66 0.59 -0.31 -0.75 -3.12 0.00 0.00 179.24 176.31 2kwc s LYS 46 N -3.32 1.90 -0.30 3.56 2.47 -1.26 -5.14 119.74 117.65 2kwc s LYS 46 Ca -0.15 -1.92 -0.00 0.00 -1.56 0.00 0.00 55.97 52.34 2kwc s LYS 46 Cb -0.00 0.40 0.09 0.00 -1.46 0.00 0.00 37.83 36.86 2kwc s LYS 46 CO 0.59 -0.76 0.07 -0.98 0.16 0.00 0.00 175.35 174.44 2kwc s ARG 47 N -3.12 0.90 -0.19 4.03 1.70 -1.26 -5.07 118.95 115.94 2kwc s ARG 47 Ca 0.35 -1.15 -0.12 0.00 -0.47 0.00 0.00 55.73 54.34 2kwc s ARG 47 Cb 0.01 -2.23 0.06 0.00 -0.57 0.00 0.00 34.95 32.21 2kwc s ARG 47 CO 0.25 -0.93 0.46 0.21 -1.08 0.00 0.00 175.30 174.21 2kwc s LYS 48 N 1.50 0.48 -0.34 3.89 2.36 -1.26 -4.62 119.74 121.75 2kwc s LYS 48 Ca 0.08 0.80 0.03 0.00 -2.55 0.00 0.00 55.97 54.33 2kwc s LYS 48 Cb -0.18 0.08 0.16 0.00 -1.05 0.00 0.00 37.83 36.84 2kwc s LYS 48 CO -0.20 -0.13 0.41 0.71 1.55 0.00 0.00 175.35 177.69 2kwc s TYR 49 N 1.09 -0.74 -0.84 4.03 2.02 -1.01 -4.99 117.35 116.90 2kwc s TYR 49 Ca -0.07 -0.24 -0.19 0.00 -0.37 0.00 0.00 57.07 56.20 2kwc s TYR 49 Cb -0.06 -0.24 0.13 0.00 -0.40 0.00 0.00 41.96 41.39 2kwc s TYR 49 CO -0.10 -1.00 1.01 -1.17 -1.57 0.00 0.00 175.55 172.72 2kwc s LEU 50 N 1.94 5.26 0.16 -1.29 1.98 -1.26 -1.40 118.68 124.08 2kwc s LEU 50 Ca 0.14 -1.94 0.07 0.00 -2.89 0.00 0.00 54.13 49.51 2kwc s LEU 50 Cb -0.13 -2.36 -0.04 0.00 0.66 0.00 0.00 46.19 44.32 2kwc s LEU 50 CO -0.16 -1.04 -0.02 0.68 -1.89 0.00 0.00 176.35 173.92 2kwc s VAL 51 N 2.49 3.67 0.99 1.68 -7.23 -1.07 -4.87 120.40 116.05 2kwc s VAL 51 Ca 0.27 -1.39 -0.15 0.00 -1.81 0.00 0.00 61.98 58.90 2kwc s VAL 51 Cb -0.09 -2.82 0.19 0.00 0.56 0.00 0.00 36.38 34.21 2kwc s VAL 51 CO -0.05 -0.07 1.18 -2.16 -0.31 0.00 0.00 175.10 173.68 2kwc s PRO 52 N -2.81 0.49 -0.07 4.82 0.04 -1.26 0.19 135.00 136.39 2kwc s PRO 52 Ca 0.26 0.04 0.07 0.00 0.04 0.00 0.00 61.00 61.42 2kwc s PRO 52 Cb -0.10 -1.79 0.33 0.00 0.04 0.00 0.00 34.50 32.99 2kwc s PRO 52 CO 0.18 -2.59 1.08 0.00 0.04 0.00 0.00 177.00 175.71 2kwc n ALA 53 N -3.99 2.92 -0.23 8.56 0.00 -1.07 -3.05 120.51 123.66 2kwc n ALA 53 Ca 0.10 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2kwc n ALA 53 Cb 0.59 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.31 0.92 -4.92 0.00 8.00 -1.26 -4.33 116.55 115.27 2kwc n ASP 54 Ca 0.11 -1.15 -0.28 0.00 0.71 0.00 0.00 54.79 54.19 2kwc n ASP 54 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kwc s LEU 55 N -0.15 4.10 0.27 0.64 0.20 -1.17 -4.99 118.68 117.58 2kwc s LEU 55 Ca 0.00 0.58 0.07 0.00 0.69 0.00 0.00 54.13 55.47 2kwc s LEU 55 Cb 0.00 -3.39 -0.03 0.00 -0.43 0.00 0.00 46.19 42.34 2kwc s LEU 55 CO 0.00 -0.16 0.28 0.42 -0.29 0.00 0.00 176.35 176.60 2kwc s THR 56 N -2.05 4.44 0.26 3.68 -4.23 -1.26 -1.53 115.64 114.95 2kwc s THR 56 Ca 0.42 -1.26 -0.01 0.00 -1.18 0.00 0.00 61.69 59.66 2kwc s THR 56 Cb -0.11 -3.47 0.25 0.00 1.34 0.00 0.00 72.50 70.51 2kwc s THR 56 CO 0.31 -0.29 1.78 0.58 -0.54 0.00 0.00 174.62 176.45 2kwc h VAL 57 N 1.31 0.79 -0.88 2.29 2.07 -0.73 -2.16 116.25 118.94 2kwc h VAL 57 Ca -0.48 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 66.88 2kwc h VAL 57 Cb 1.24 0.01 -0.12 0.00 -1.52 0.00 0.00 31.29 30.90 2kwc h VAL 57 CO 0.60 0.13 -0.56 1.23 0.02 0.00 0.00 177.57 178.99 2kwc h GLY 58 N 0.72 -0.76 -0.08 2.17 0.00 -1.12 1.42 103.07 105.43 2kwc h GLY 58 Ca 0.46 0.75 0.28 0.00 0.00 0.00 0.00 47.33 48.82 2kwc h GLY 58 CO -0.32 -0.02 0.71 1.46 0.00 0.00 0.00 176.54 178.37 2kwc h GLN 59 N -0.08 0.17 -0.02 4.80 4.20 -1.65 1.01 115.11 123.54 2kwc h GLN 59 Ca 0.17 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.74 2kwc h GLN 59 Cb 0.47 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 2kwc h GLN 59 CO -0.87 0.11 -0.58 0.35 -0.67 0.00 0.00 178.83 177.17 2kwc h PHE 60 N 0.17 0.07 0.00 2.96 3.57 0.19 -2.36 116.94 121.54 2kwc h PHE 60 Ca 0.53 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.00 2kwc h PHE 60 Cb 1.76 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.49 2kwc h PHE 60 CO -0.00 0.62 0.00 0.28 -2.23 0.00 0.00 178.31 176.98 2kwc h VAL 61 N 0.04 0.00 0.00 1.41 2.07 0.26 -2.82 116.25 117.21 2kwc h VAL 61 Ca -0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2kwc h VAL 61 Cb 1.03 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2kwc h VAL 61 CO 0.08 0.00 -0.06 0.22 0.02 0.00 0.00 177.57 177.83 2kwc h TYR 62 N 0.00 0.00 -0.76 1.57 5.03 -0.92 -2.85 116.97 119.05 2kwc h TYR 62 Ca 0.00 0.00 0.16 0.00 2.58 0.00 0.00 58.73 61.47 2kwc h TYR 62 Cb 0.49 0.00 -0.14 0.00 1.55 0.00 0.00 36.73 38.63 2kwc h TYR 62 CO 0.00 0.00 -0.13 -0.39 -1.32 0.00 0.00 178.16 176.32 2kwc h VAL 63 N -0.67 0.26 0.27 1.81 -1.51 -1.56 -0.15 116.25 114.71 2kwc h VAL 63 Ca 0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 66.70 65.45 2kwc h VAL 63 Cb 0.06 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 29.45 2kwc h VAL 63 CO 0.00 0.00 -0.27 0.40 -1.23 0.00 0.00 177.57 176.48 2kwc h ILE 64 N 0.03 0.00 -1.61 7.19 5.03 -1.66 0.23 117.51 126.71 2kwc h ILE 64 Ca 0.38 0.00 0.47 0.00 -0.12 0.00 0.00 64.86 65.59 2kwc h ILE 64 Cb 0.62 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.34 2kwc h ILE 64 CO -0.75 0.00 1.29 -0.09 -0.68 0.00 0.00 178.15 177.92 2kwc h ARG 65 N -0.53 0.00 0.02 2.37 2.43 -0.95 1.49 114.38 119.20 2kwc h ARG 65 Ca -0.03 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2kwc h ARG 65 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2kwc h ARG 65 CO -0.03 0.00 -0.12 0.87 -1.51 0.00 0.00 179.97 179.17 2kwc h LYS 66 N 0.00 0.05 -0.28 0.20 6.56 0.61 0.34 116.57 124.06 2kwc h LYS 66 Ca 0.77 -0.08 0.08 0.00 -1.06 0.00 0.00 60.65 60.35 2kwc h LYS 66 Cb 3.35 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 35.02 2kwc h LYS 66 CO -0.01 0.99 0.60 0.00 -2.06 0.00 0.00 179.45 178.97 2kwc h ARG 67 N -0.84 0.00 0.00 3.15 2.47 0.52 0.94 114.38 120.63 2kwc h ARG 67 Ca -0.02 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 2kwc h ARG 67 Cb 1.04 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.35 2kwc h ARG 67 CO 0.02 0.00 -1.74 0.44 0.56 0.00 0.00 179.97 179.25 2kwc n ILE 68 N -3.14 0.30 -2.09 2.04 -5.35 -0.72 -4.64 119.36 105.77 2kwc n ILE 68 Ca 0.05 -0.40 -0.07 0.00 -0.27 0.00 0.00 62.75 62.06 2kwc n ILE 68 Cb 0.72 -0.09 -0.00 0.00 -1.74 0.00 0.00 39.64 38.52 2kwc n ILE 68 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2kwc n MET 69 N -2.16 -0.53 -1.96 6.28 2.81 0.33 -5.00 117.12 116.89 2kwc n MET 69 Ca -0.09 0.34 -0.36 0.00 -1.81 0.00 0.00 57.70 55.78 2kwc n MET 69 Cb 0.56 -4.21 0.04 0.00 -0.71 0.00 0.00 33.22 28.90 2kwc n MET 69 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kwc s LEU 70 N -1.89 3.66 0.97 4.03 1.02 0.60 -4.99 118.68 122.08 2kwc s LEU 70 Ca 0.00 2.44 -0.14 0.00 0.02 0.00 0.00 54.13 56.45 2kwc s LEU 70 Cb 0.00 -4.58 0.17 0.00 0.02 0.00 0.00 46.19 41.80 2kwc s LEU 70 CO 0.00 -1.65 1.16 -2.16 0.02 0.00 0.00 176.35 173.72 2kwc s PRO 71 N -3.31 0.67 0.00 1.29 0.04 -1.26 -4.85 135.00 127.59 2kwc s PRO 71 Ca 0.78 0.12 0.23 0.00 0.04 0.00 0.00 61.00 62.18 2kwc s PRO 71 Cb -0.32 -1.80 1.40 0.00 0.04 0.00 0.00 34.50 33.82 2kwc s PRO 71 CO 0.35 -2.48 1.77 -0.35 0.04 0.00 0.00 177.00 176.33 2kwc n PRO 72 N -3.93 0.75 -0.06 0.56 -0.04 -1.26 -2.64 135.00 128.38 2kwc n PRO 72 Ca 0.09 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 2kwc n PRO 72 Cb 0.59 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.99 0.68 -0.53 0.54 0.28 -1.26 -4.96 120.64 114.41 2kwc n GLU 73 Ca 0.18 0.18 -0.29 0.00 -0.16 0.00 0.00 57.16 57.06 2kwc n GLU 73 Cb 0.08 -1.64 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 1.63 -0.16 0.00 0.00 177.13 178.60 2kwc n LYS 74 N -3.15 -2.22 -3.51 3.44 4.76 -1.08 -5.03 118.16 111.36 2kwc n LYS 74 Ca -0.32 -0.62 -0.22 0.00 -2.87 0.00 0.00 58.31 54.27 2kwc n LYS 74 Cb 1.06 -2.06 -0.14 0.00 -1.84 0.00 0.00 35.03 32.05 2kwc n LYS 74 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kwc s ALA 75 N -2.37 0.05 -0.16 7.82 0.00 -1.26 -4.96 121.76 120.88 2kwc s ALA 75 Ca 0.66 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.28 2kwc s ALA 75 Cb -0.22 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2kwc s ALA 75 CO 0.65 -1.39 0.04 -1.50 0.00 0.00 0.00 175.76 173.56 2kwc s ILE 76 N 2.24 4.61 -0.04 0.00 2.07 -1.26 -4.08 121.20 124.74 2kwc s ILE 76 Ca 0.07 -0.11 0.06 0.00 -1.41 0.00 0.00 60.65 59.26 2kwc s ILE 76 Cb -0.16 -3.04 -0.02 0.00 0.13 0.00 0.00 42.46 39.37 2kwc s ILE 76 CO -0.21 0.50 -0.21 -0.36 -1.91 0.00 0.00 174.94 172.76 2kwc s PHE 77 N 0.04 2.51 0.12 3.50 0.08 0.60 -4.92 117.98 119.92 2kwc s PHE 77 Ca 0.04 -0.34 -0.17 0.00 0.12 0.00 0.00 56.93 56.59 2kwc s PHE 77 Cb -0.12 -1.57 -0.07 0.00 -0.57 0.00 0.00 43.02 40.69 2kwc s PHE 77 CO 0.01 0.05 0.58 0.42 -0.10 0.00 0.00 175.22 176.18 2kwc s ILE 78 N -0.62 4.76 -0.03 0.64 -1.09 -1.26 -0.30 121.20 123.31 2kwc s ILE 78 Ca 0.09 1.07 0.01 0.00 -2.23 0.00 0.00 60.65 59.59 2kwc s ILE 78 Cb -0.11 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.96 2kwc s ILE 78 CO 0.00 0.38 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.68 2kwc s PHE 79 N -1.32 0.64 -0.00 3.97 0.40 0.24 -3.90 117.98 118.01 2kwc s PHE 79 Ca 0.35 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 2kwc s PHE 79 Cb -0.17 -0.53 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 2kwc s PHE 79 CO 0.19 -0.12 -0.07 0.14 0.70 0.00 0.00 175.22 176.06 2kwc s VAL 80 N 0.54 0.58 -1.40 -0.44 -7.23 -0.85 -0.16 120.40 111.43 2kwc s VAL 80 Ca -0.07 -0.39 -0.12 0.00 -1.81 0.00 0.00 61.98 59.60 2kwc s VAL 80 Cb -0.10 -0.51 0.01 0.00 0.56 0.00 0.00 36.38 36.35 2kwc s VAL 80 CO -0.00 0.11 0.31 0.59 -0.31 0.00 0.00 175.10 175.81 2kwc n ASN 81 N 2.76 -1.13 -3.94 4.85 5.03 -1.26 0.14 115.26 121.71 2kwc n ASN 81 Ca -0.14 -1.23 -0.28 0.00 0.87 0.00 0.00 54.58 53.80 2kwc n ASN 81 Cb 0.57 -1.93 0.00 0.00 -1.02 0.00 0.00 39.78 37.40 2kwc n ASN 81 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kwc n ASP 82 N -2.67 -2.06 -1.85 6.41 9.92 -1.26 -4.94 116.55 120.10 2kwc n ASP 82 Ca -0.25 -0.92 -0.07 0.00 -0.53 0.00 0.00 54.79 53.02 2kwc n ASP 82 Cb 0.65 -3.40 -0.03 0.00 -0.64 0.00 0.00 41.12 37.70 2kwc n ASP 82 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2kwc n THR 83 N -4.44 0.00 -3.43 -3.53 5.66 0.37 -4.96 114.28 103.95 2kwc n THR 83 Ca -0.16 -0.91 -0.23 0.00 -3.05 0.00 0.00 64.05 59.70 2kwc n THR 83 Cb 0.61 0.45 -0.11 0.00 -1.55 0.00 0.00 70.33 69.73 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 0.36 0.60 1.09 0.20 -1.26 -2.01 118.68 117.66 2kwc s LEU 84 Ca 0.15 -1.59 -0.15 0.00 0.69 0.00 0.00 54.13 53.23 2kwc s LEU 84 Cb 0.01 0.07 -0.03 0.00 -0.43 0.00 0.00 46.19 45.81 2kwc s LEU 84 CO 0.10 -0.33 1.05 -2.16 -0.29 0.00 0.00 176.35 174.72 2kwc s PRO 85 N 1.59 3.32 0.87 0.98 0.04 -1.25 -5.02 135.00 135.53 2kwc s PRO 85 Ca 0.15 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 2kwc s PRO 85 Cb -0.18 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 32.44 2kwc s PRO 85 CO -0.13 -0.80 1.12 -1.25 0.04 0.00 0.00 177.00 175.98 2kwc s PRO 86 N -4.26 1.48 0.17 0.56 0.04 -1.26 -4.78 135.00 126.95 2kwc s PRO 86 Ca 0.62 0.41 0.26 0.00 0.04 0.00 0.00 61.00 62.34 2kwc s PRO 86 Cb -0.15 -1.87 0.83 0.00 0.04 0.00 0.00 34.50 33.36 2kwc s PRO 86 CO 0.40 -1.99 1.76 -2.37 0.04 0.00 0.00 177.00 174.83 2kwc n THR 87 N -3.65 0.48 0.05 1.26 5.66 -1.26 -3.05 114.28 113.77 2kwc n THR 87 Ca 0.07 -0.24 -0.02 0.00 -3.05 0.00 0.00 64.05 60.81 2kwc n THR 87 Cb 0.58 -0.52 -0.08 0.00 -1.55 0.00 0.00 70.33 68.76 2kwc n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kwc h ALA 88 N 2.60 0.65 -1.68 1.79 0.00 -1.94 0.61 119.26 121.28 2kwc h ALA 88 Ca 0.00 -0.89 -0.63 0.00 0.00 0.00 0.00 54.91 53.39 2kwc h ALA 88 Cb 0.70 0.20 0.11 0.00 0.00 0.00 0.00 17.79 18.80 2kwc h ALA 88 CO 0.00 1.02 -0.03 0.00 0.00 0.00 0.00 179.25 180.24 2kwc n ALA 89 N -2.39 -1.02 -2.63 0.00 0.00 -1.17 -4.62 120.51 108.68 2kwc n ALA 89 Ca -0.08 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 2kwc n ALA 89 Cb 0.87 -1.91 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 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 1.14 4.34 0.15 0.00 2.96 -1.26 -0.58 118.68 125.42 2kwc s LEU 90 Ca 0.62 1.06 0.13 0.00 -0.22 0.00 0.00 54.13 55.71 2kwc s LEU 90 Cb -0.78 -2.90 0.62 0.00 0.50 0.00 0.00 46.19 43.63 2kwc s LEU 90 CO 0.58 0.00 1.39 0.23 -1.32 0.00 0.00 176.35 177.23 2kwc n MET 91 N 3.35 0.07 0.07 1.98 2.81 -0.58 -0.53 117.12 124.29 2kwc n MET 91 Ca -0.05 0.51 -0.23 0.00 -1.81 0.00 0.00 57.70 56.12 2kwc n MET 91 Cb 0.51 -1.71 -0.15 0.00 -0.71 0.00 0.00 33.22 31.16 2kwc n MET 91 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2kwc h SER 92 N 0.00 0.58 0.34 7.83 0.87 -1.79 -2.40 113.55 118.98 2kwc h SER 92 Ca 0.00 -0.91 -0.24 0.00 -1.23 0.00 0.00 61.79 59.40 2kwc h SER 92 Cb 0.08 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2kwc h SER 92 CO 0.00 1.69 -1.03 0.00 -0.53 0.00 0.00 176.83 176.96 2kwc h ALA 93 N 0.07 0.27 0.63 6.23 0.00 -1.59 -1.83 119.26 123.04 2kwc h ALA 93 Ca -0.30 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 53.84 2kwc h ALA 93 Cb 1.97 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.77 2kwc h ALA 93 CO 0.16 0.82 -0.30 0.82 0.00 0.00 0.00 179.25 180.74 2kwc h ILE 94 N 0.22 0.00 -0.08 0.00 1.08 -0.95 -2.76 117.51 115.03 2kwc h ILE 94 Ca -0.10 -0.25 0.02 0.00 -0.39 0.00 0.00 64.86 64.14 2kwc h ILE 94 Cb 1.68 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.43 2kwc h ILE 94 CO 0.18 0.00 0.12 0.22 -0.69 0.00 0.00 178.15 177.98 2kwc h TYR 95 N -1.10 0.00 -0.50 1.37 5.03 -1.54 1.37 116.97 121.59 2kwc h TYR 95 Ca -0.09 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.15 2kwc h TYR 95 Cb 0.65 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.91 2kwc h TYR 95 CO 0.02 0.00 0.02 1.96 -1.32 0.00 0.00 178.16 178.84 2kwc h GLN 96 N 0.00 0.83 -0.01 1.82 4.20 -1.12 1.44 115.11 122.26 2kwc h GLN 96 Ca 0.04 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2kwc h GLN 96 Cb 0.28 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2kwc h GLN 96 CO -0.00 0.82 -0.03 0.39 -0.67 0.00 0.00 178.83 179.33 2kwc n GLU 97 N -4.22 0.84 0.00 1.46 1.02 0.02 -4.35 120.64 115.41 2kwc n GLU 97 Ca 0.03 -1.12 0.04 0.00 -0.02 0.00 0.00 57.16 56.09 2kwc n GLU 97 Cb 0.29 -1.21 -0.04 0.00 -0.02 0.00 0.00 31.44 30.47 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 0.53 0.00 -1.56 -0.32 8.25 0.45 -5.03 115.22 117.54 2kwc n HIS 98 Ca 0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 2kwc n HIS 98 Cb 0.29 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.40 2kwc n HIS 98 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2kwc n LYS 99 N -1.10 1.09 -2.98 -0.41 0.00 0.49 -4.61 118.16 110.64 2kwc n LYS 99 Ca 0.02 0.39 -0.21 0.00 0.00 0.00 0.00 58.31 58.51 2kwc n LYS 99 Cb 0.12 -1.84 0.08 0.00 0.00 0.00 0.00 35.03 33.39 2kwc n LYS 99 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2kwc s ASP 100 N -0.78 4.88 0.30 3.14 -1.08 -1.06 -4.97 116.67 117.11 2kwc s ASP 100 Ca 0.63 -0.86 0.26 0.00 -0.52 0.00 0.00 52.55 52.06 2kwc s ASP 100 Cb -0.60 0.43 0.79 0.00 -1.46 0.00 0.00 42.92 42.08 2kwc s ASP 100 CO 0.57 -1.52 1.75 0.11 0.52 0.00 0.00 175.17 176.60 2kwc h LYS 101 N -0.01 0.00 0.00 4.34 1.57 -1.94 -2.67 116.57 117.86 2kwc h LYS 101 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2kwc h LYS 101 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2kwc h LYS 101 CO 0.40 0.00 -0.88 -3.47 -0.57 0.00 0.00 179.45 174.92 2kwc n ASP 102 N -2.52 0.64 0.00 0.86 -0.08 -1.26 -4.99 116.55 109.21 2kwc n ASP 102 Ca 0.04 -0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 2kwc n ASP 102 Cb 0.40 0.56 0.00 0.00 2.34 0.00 0.00 41.12 44.42 2kwc n ASP 102 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kwc n GLY 103 N 1.35 2.80 3.03 0.27 0.00 -1.01 -4.52 105.19 107.11 2kwc n GLY 103 Ca 0.02 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 -2.19 -4.35 1.61 3.72 -1.26 -3.81 117.46 111.18 2kwc n PHE 104 Ca 0.00 0.05 -0.26 0.00 -0.05 0.00 0.00 57.45 57.20 2kwc n PHE 104 Cb 0.00 -1.40 -0.10 0.00 -0.94 0.00 0.00 39.48 37.04 2kwc n PHE 104 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2kwc s LEU 105 N 0.62 2.82 -0.28 4.37 2.96 -1.21 -2.55 118.68 125.41 2kwc s LEU 105 Ca 0.37 -0.74 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2kwc s LEU 105 Cb -0.06 -1.45 0.08 0.00 0.50 0.00 0.00 46.19 45.26 2kwc s LEU 105 CO 0.37 0.08 0.00 -0.72 -1.32 0.00 0.00 176.35 174.75 2kwc s TYR 106 N -1.97 2.68 0.14 5.38 1.13 -1.26 -1.71 117.35 121.75 2kwc s TYR 106 Ca 0.26 -2.12 0.02 0.00 -1.41 0.00 0.00 57.07 53.81 2kwc s TYR 106 Cb -0.07 -1.99 -0.04 0.00 -1.10 0.00 0.00 41.96 38.75 2kwc s TYR 106 CO 0.15 -0.85 -0.02 0.54 -2.51 0.00 0.00 175.55 172.86 2kwc s VAL 107 N 1.29 0.63 -0.08 -3.49 0.11 -1.18 -4.35 120.40 113.33 2kwc s VAL 107 Ca 0.02 -1.96 -0.06 0.00 -2.93 0.00 0.00 61.98 57.05 2kwc s VAL 107 Cb -0.19 -1.96 0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2kwc s VAL 107 CO -0.10 -0.61 0.20 -0.89 -3.33 0.00 0.00 175.10 170.36 2kwc s THR 108 N -3.68 -0.01 0.05 5.04 2.01 0.77 0.17 115.64 119.98 2kwc s THR 108 Ca 0.20 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.27 2kwc s THR 108 Cb 0.06 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 2kwc s THR 108 CO 0.01 0.02 0.05 -0.72 -0.69 0.00 0.00 174.62 173.29 2kwc s TYR 109 N 0.43 3.16 -0.08 4.92 -0.85 -1.25 0.81 117.35 124.49 2kwc s TYR 109 Ca -0.03 0.09 -0.05 0.00 -0.52 0.00 0.00 57.07 56.56 2kwc s TYR 109 Cb -0.04 -1.64 0.03 0.00 0.38 0.00 0.00 41.96 40.69 2kwc s TYR 109 CO -0.02 0.51 0.20 0.45 -1.52 0.00 0.00 175.55 175.17 2kwc s SER 110 N -2.09 -0.20 0.29 -0.18 0.15 0.59 -3.44 113.70 108.81 2kwc s SER 110 Ca 0.26 0.42 0.19 0.00 0.70 0.00 0.00 55.95 57.52 2kwc s SER 110 Cb -0.12 0.35 1.05 0.00 -1.71 0.00 0.00 66.02 65.59 2kwc s SER 110 CO 0.18 -0.12 1.59 0.61 1.20 0.00 0.00 173.24 176.70 2kwc n GLY 111 N 3.68 -0.84 3.73 9.45 0.00 -1.26 -0.29 105.19 119.67 2kwc n GLY 111 Ca -0.20 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.48 2.44 -1.13 1.61 2.12 -1.26 -4.46 118.70 114.53 2kwc s GLU 112 Ca -0.02 -1.45 -0.07 0.00 0.36 0.00 0.00 54.97 53.79 2kwc s GLU 112 Cb 0.06 -2.24 0.27 0.00 0.26 0.00 0.00 34.13 32.48 2kwc s GLU 112 CO 0.18 0.19 1.44 -1.71 -0.54 0.00 0.00 175.26 174.82 2kwc n ASN 113 N -1.12 5.86 -3.84 -1.70 4.05 -1.26 -4.54 115.26 112.72 2kwc n ASN 113 Ca -0.04 -3.22 -0.12 0.00 0.45 0.00 0.00 54.58 51.65 2kwc n ASN 113 Cb 0.60 -1.36 -0.12 0.00 1.23 0.00 0.00 39.78 40.13 2kwc n ASN 113 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2kwc s THR 114 N -1.49 0.02 -1.38 -0.44 -4.23 -1.26 -5.02 115.64 101.84 2kwc s THR 114 Ca 0.33 -0.19 0.25 0.00 -1.18 0.00 0.00 61.69 60.91 2kwc s THR 114 Cb 0.01 -0.26 0.12 0.00 1.34 0.00 0.00 72.50 73.71 2kwc s THR 114 CO 0.03 -0.10 1.46 0.49 -0.54 0.00 0.00 174.62 175.96 2kwc n PHE 115 N 2.60 0.00 0.00 3.99 3.72 -1.26 -4.97 117.46 121.55 2kwc n PHE 115 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 2kwc n PHE 115 Cb 0.58 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12