#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwc n LYS 2 N 0.00 -2.70 -2.22 0.03 5.02 -1.26 -4.94 118.16 112.09 2kwc n LYS 2 Ca 0.00 -1.43 -0.42 0.00 -2.02 0.00 0.00 58.31 54.44 2kwc n LYS 2 Cb 0.00 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 2kwc n LYS 2 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2kwc s SER 3 N -3.95 6.89 0.24 4.39 0.01 -1.26 -4.91 113.70 115.12 2kwc s SER 3 Ca 0.58 2.33 0.23 0.00 1.31 0.00 0.00 55.95 60.40 2kwc s SER 3 Cb -0.06 -2.60 0.18 0.00 0.21 0.00 0.00 66.02 63.76 2kwc s SER 3 CO 0.44 -0.57 1.26 0.71 0.41 0.00 0.00 173.24 175.49 2kwc h THR 4 N 4.04 0.00 -0.06 1.44 1.35 -1.96 -2.64 112.91 115.08 2kwc h THR 4 Ca -0.43 -0.88 -0.16 0.00 -0.55 0.00 0.00 66.41 64.39 2kwc h THR 4 Cb 1.21 1.54 0.01 0.00 -1.73 0.00 0.00 68.15 69.18 2kwc h THR 4 CO 0.82 0.00 -0.58 0.15 -0.25 0.00 0.00 175.52 175.65 2kwc h PHE 5 N 0.00 0.70 0.00 4.73 3.04 -1.91 1.46 116.94 124.97 2kwc h PHE 5 Ca 0.00 -0.34 0.00 0.00 3.98 0.00 0.00 57.97 61.61 2kwc h PHE 5 Cb 0.94 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.35 2kwc h PHE 5 CO 0.00 1.14 -0.32 1.57 -2.02 0.00 0.00 178.31 178.68 2kwc h LYS 6 N 0.07 0.00 0.00 1.11 5.09 -1.68 -2.18 116.57 118.98 2kwc h LYS 6 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.68 2kwc h LYS 6 Cb 1.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.58 2kwc h LYS 6 CO 0.12 0.00 -0.20 0.45 -2.09 0.00 0.00 179.45 177.73 2kwc n SER 7 N -2.96 0.47 -0.04 7.07 2.88 -0.99 -4.63 113.62 115.41 2kwc n SER 7 Ca 0.03 0.20 -0.10 0.00 -1.33 0.00 0.00 58.87 57.67 2kwc n SER 7 Cb 0.54 -0.57 -0.04 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.25 0.26 -6.26 -1.46 4.81 0.18 -3.44 114.58 108.42 2kwc h GLU 8 Ca 0.00 -0.02 -0.47 0.00 -0.13 0.00 0.00 59.36 58.75 2kwc h GLU 8 Cb 0.20 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2kwc h GLU 8 CO 0.00 0.19 -0.39 0.71 -0.73 0.00 0.00 179.01 178.79 2kwc s TYR 9 N -6.11 3.01 0.94 0.92 1.51 -0.53 -5.00 117.35 112.09 2kwc s TYR 9 Ca -0.13 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.53 2kwc s TYR 9 Cb 0.08 -1.91 0.15 0.00 -0.11 0.00 0.00 41.96 40.18 2kwc s TYR 9 CO 0.69 0.07 1.15 -1.25 -1.11 0.00 0.00 175.55 175.11 2kwc s PRO 10 N -4.09 0.91 0.15 -1.71 0.04 -1.24 -3.79 135.00 125.28 2kwc s PRO 10 Ca 0.43 0.20 0.05 0.00 0.04 0.00 0.00 61.00 61.72 2kwc s PRO 10 Cb -0.08 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 2kwc s PRO 10 CO 0.29 -2.33 1.35 0.35 0.04 0.00 0.00 177.00 176.69 2kwc h PHE 11 N -1.59 0.13 0.00 0.56 3.04 -1.85 -3.07 116.94 114.16 2kwc h PHE 11 Ca -0.49 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.38 2kwc h PHE 11 Cb 1.32 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.82 2kwc h PHE 11 CO -0.04 0.96 0.00 0.93 -2.02 0.00 0.00 178.31 178.14 2kwc h GLU 12 N 0.04 0.00 0.00 1.11 5.08 -1.96 -2.84 114.58 116.01 2kwc h GLU 12 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kwc h GLU 12 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2kwc h GLU 12 CO 0.13 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.31 2kwc n LYS 13 N -2.73 0.00 0.14 2.33 3.00 -1.16 0.56 118.16 120.31 2kwc n LYS 13 Ca 0.02 0.46 0.19 0.00 -0.00 0.00 0.00 58.31 58.97 2kwc n LYS 13 Cb 0.30 -1.28 0.73 0.00 0.00 0.00 0.00 35.03 34.78 2kwc n LYS 13 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 2kwc h ARG 14 N 0.00 0.00 0.05 1.64 -0.00 -1.66 1.13 114.38 115.54 2kwc h ARG 14 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 59.98 59.73 2kwc h ARG 14 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.95 2kwc h ARG 14 CO 0.00 0.00 -1.21 -0.22 -0.00 0.00 0.00 179.97 178.54 2kwc h LYS 15 N 0.00 0.11 -0.10 0.08 3.64 -1.42 -3.08 116.57 115.80 2kwc h LYS 15 Ca 0.16 -0.19 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 2kwc h LYS 15 Cb 1.10 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2kwc h LYS 15 CO -0.00 1.03 -0.65 0.00 -2.27 0.00 0.00 179.45 177.56 2kwc h ALA 16 N 0.82 0.70 0.37 5.00 0.00 0.67 -2.89 119.26 123.92 2kwc h ALA 16 Ca -0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 2kwc h ALA 16 Cb 1.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2kwc h ALA 16 CO 0.15 0.74 -0.18 1.49 0.00 0.00 0.00 179.25 181.45 2kwc h GLU 17 N 0.27 -0.47 -0.69 0.00 4.22 -0.91 -2.11 114.58 114.88 2kwc h GLU 17 Ca -0.01 0.03 0.16 0.00 0.08 0.00 0.00 59.36 59.62 2kwc h GLU 17 Cb 1.19 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 2kwc h GLU 17 CO 0.11 -0.26 0.47 0.66 -2.18 0.00 0.00 179.01 177.81 2kwc h SER 18 N -0.58 0.22 0.58 1.04 4.64 -1.56 0.67 113.55 118.56 2kwc h SER 18 Ca -0.05 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 2kwc h SER 18 Cb 0.43 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2kwc h SER 18 CO 0.08 0.11 -0.30 -0.33 -0.87 0.00 0.00 176.83 175.52 2kwc h GLU 19 N 0.23 0.00 0.07 4.77 4.39 -1.19 -2.11 114.58 120.74 2kwc h GLU 19 Ca 0.34 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 2kwc h GLU 19 Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2kwc h GLU 19 CO -0.07 0.30 -0.03 0.00 -1.16 0.00 0.00 179.01 178.05 2kwc h ARG 20 N 0.00 -0.09 -0.22 2.33 3.08 0.94 -1.55 114.38 118.87 2kwc h ARG 20 Ca -0.00 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.12 2kwc h ARG 20 Cb 0.67 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2kwc h ARG 20 CO 0.04 -0.05 0.48 0.82 -1.07 0.00 0.00 179.97 180.18 2kwc h ILE 21 N -1.02 0.15 0.08 2.04 2.04 -1.27 1.32 117.51 120.84 2kwc h ILE 21 Ca -0.01 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.55 2kwc h ILE 21 Cb 0.08 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2kwc h ILE 21 CO 0.02 0.00 -1.56 0.00 0.00 0.00 0.00 178.15 176.61 2kwc h ALA 22 N 1.25 0.41 0.00 1.87 0.00 -1.42 0.60 119.26 121.98 2kwc h ALA 22 Ca 0.11 -1.20 -0.13 0.00 0.00 0.00 0.00 54.91 53.69 2kwc h ALA 22 Cb 1.06 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2kwc h ALA 22 CO -0.00 1.27 -0.63 0.22 0.00 0.00 0.00 179.25 180.12 2kwc h ASP 23 N 0.04 0.00 0.00 0.00 1.82 0.25 -2.18 116.42 116.35 2kwc h ASP 23 Ca -0.24 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.13 2kwc h ASP 23 Cb 1.99 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.96 2kwc h ASP 23 CO 0.13 0.63 -1.61 -1.14 -1.61 0.00 0.00 179.24 175.64 2kwc n ARG 24 N -3.76 0.56 -3.64 0.28 0.00 0.14 -4.78 116.66 105.46 2kwc n ARG 24 Ca -0.01 0.42 -0.27 0.00 -0.00 0.00 0.00 57.85 57.99 2kwc n ARG 24 Cb 0.63 -1.62 -0.11 0.00 0.00 0.00 0.00 32.46 31.37 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 -4.39 1.28 1.47 -0.14 3.72 0.21 -4.91 117.46 114.70 2kwc n PHE 25 Ca -0.35 -3.83 0.12 0.00 -0.05 0.00 0.00 57.45 53.33 2kwc n PHE 25 Cb 0.69 -0.21 0.70 0.00 -0.94 0.00 0.00 39.48 39.72 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 2.31 0.73 -0.74 -1.08 -0.04 -0.82 -2.25 135.00 133.11 2kwc n PRO 26 Ca 0.25 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.79 2kwc n PRO 26 Cb 0.41 -1.50 0.36 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 -1.02 5.13 -4.79 3.54 3.02 -1.26 -4.95 115.26 114.94 2kwc n ASN 27 Ca 0.18 -2.84 -0.33 0.00 -0.03 0.00 0.00 54.58 51.56 2kwc n ASN 27 Cb 0.09 -0.63 -0.07 0.00 -0.61 0.00 0.00 39.78 38.56 2kwc n ASN 27 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2kwc s ARG 28 N -2.56 2.22 -0.34 3.52 1.81 -0.95 -3.56 118.95 119.08 2kwc s ARG 28 Ca 0.51 -2.40 0.01 0.00 -1.72 0.00 0.00 55.73 52.13 2kwc s ARG 28 Cb 0.38 -1.57 0.14 0.00 -0.45 0.00 0.00 34.95 33.45 2kwc s ARG 28 CO 0.16 -0.41 0.28 0.42 -0.68 0.00 0.00 175.30 175.07 2kwc s ILE 29 N -2.88 -0.17 -0.88 1.52 1.01 0.51 -4.82 121.20 115.48 2kwc s ILE 29 Ca 0.06 -1.09 -0.25 0.00 0.00 0.00 0.00 60.65 59.37 2kwc s ILE 29 Cb 0.01 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2kwc s ILE 29 CO 0.03 -0.71 1.66 -2.16 0.00 0.00 0.00 174.94 173.76 2kwc s PRO 30 N 1.59 3.04 0.24 2.79 0.04 -1.26 -0.66 135.00 140.77 2kwc s PRO 30 Ca 0.15 -0.47 -0.11 0.00 0.04 0.00 0.00 61.00 60.61 2kwc s PRO 30 Cb -0.18 -4.96 -0.07 0.00 0.04 0.00 0.00 34.50 29.33 2kwc s PRO 30 CO -0.12 -2.69 0.58 0.08 0.04 0.00 0.00 177.00 174.89 2kwc s VAL 31 N 7.45 4.89 -0.54 -0.36 1.01 -0.97 -3.69 120.40 128.19 2kwc s VAL 31 Ca 0.56 0.56 0.01 0.00 0.00 0.00 0.00 61.98 63.11 2kwc s VAL 31 Cb -0.05 -3.62 0.14 0.00 0.00 0.00 0.00 36.38 32.85 2kwc s VAL 31 CO 0.01 -0.08 0.31 -0.63 0.00 0.00 0.00 175.10 174.71 2kwc s ILE 32 N -1.83 3.06 0.71 2.22 -1.09 0.58 -3.21 121.20 121.63 2kwc s ILE 32 Ca 0.48 -2.99 -0.13 0.00 -2.23 0.00 0.00 60.65 55.78 2kwc s ILE 32 Cb -0.11 -3.07 0.02 0.00 -1.58 0.00 0.00 42.46 37.72 2kwc s ILE 32 CO 0.20 -0.80 1.10 0.00 -1.23 0.00 0.00 174.94 174.21 2kwc s GLU 34 N -4.48 0.35 0.27 0.00 0.41 0.08 -4.67 118.70 110.66 2kwc s GLU 34 Ca 0.64 0.92 -0.29 0.00 -0.41 0.00 0.00 54.97 55.83 2kwc s GLU 34 Cb -0.19 0.16 -0.09 0.00 -1.78 0.00 0.00 34.13 32.23 2kwc s GLU 34 CO 0.48 -0.21 1.22 0.21 -0.49 0.00 0.00 175.26 176.47 2kwc s LYS 35 N 2.06 4.48 -0.22 1.61 2.36 -1.26 -3.07 119.74 125.71 2kwc s LYS 35 Ca -0.05 1.99 -0.29 0.00 -2.55 0.00 0.00 55.97 55.07 2kwc s LYS 35 Cb -0.10 -3.16 -0.01 0.00 -1.05 0.00 0.00 37.83 33.51 2kwc s LYS 35 CO -0.13 -0.04 1.28 0.00 1.55 0.00 0.00 175.35 178.02 2kwc s ALA 36 N -0.76 3.55 0.27 3.13 0.00 -1.09 -4.89 121.76 121.96 2kwc s ALA 36 Ca 0.49 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2kwc s ALA 36 Cb -0.35 -3.68 0.53 0.00 0.00 0.00 0.00 23.12 19.61 2kwc s ALA 36 CO 0.44 -1.41 1.81 1.05 0.00 0.00 0.00 175.76 177.65 2kwc h GLU 37 N 8.66 0.85 -0.27 0.00 4.11 -1.92 -0.81 114.58 125.20 2kwc h GLU 37 Ca -0.26 -0.05 0.05 0.00 0.07 0.00 0.00 59.36 59.16 2kwc h GLU 37 Cb 1.10 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 2kwc h GLU 37 CO 0.99 0.57 -0.01 0.87 0.07 0.00 0.00 179.01 181.50 2kwc h LYS 38 N 0.88 0.07 -6.08 1.06 1.79 -1.98 -3.43 116.57 108.88 2kwc h LYS 38 Ca 0.48 -0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.67 2kwc h LYS 38 Cb 0.51 -0.01 0.15 0.00 -1.58 0.00 0.00 32.23 31.30 2kwc h LYS 38 CO -0.28 0.04 -0.61 0.45 -1.08 0.00 0.00 179.45 177.97 2kwc n SER 39 N -5.17 -2.82 -0.66 0.86 2.88 -0.31 -4.95 113.62 103.45 2kwc n SER 39 Ca -0.01 -0.28 0.04 0.00 -1.33 0.00 0.00 58.87 57.29 2kwc n SER 39 Cb 0.14 -0.76 0.07 0.00 -0.75 0.00 0.00 64.21 62.92 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 -0.65 1.09 -4.88 -3.46 8.00 -1.26 -4.99 116.55 110.40 2kwc n ASP 40 Ca 0.04 -2.58 -0.30 0.00 0.71 0.00 0.00 54.79 52.66 2kwc n ASP 40 Cb 0.41 -0.34 0.03 0.00 -0.02 0.00 0.00 41.12 41.21 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2kwc s ILE 41 N -1.23 3.95 -0.02 0.53 -4.36 -1.26 -5.01 121.20 113.79 2kwc s ILE 41 Ca 0.22 0.55 -0.30 0.00 -0.26 0.00 0.00 60.65 60.86 2kwc s ILE 41 Cb 0.22 -3.61 -0.04 0.00 1.25 0.00 0.00 42.46 40.28 2kwc s ILE 41 CO -0.05 -0.79 1.21 -2.16 0.24 0.00 0.00 174.94 173.39 2kwc s PRO 42 N -5.24 4.37 1.24 0.37 0.04 -1.26 -5.01 135.00 129.50 2kwc s PRO 42 Ca 0.56 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 63.17 2kwc s PRO 42 Cb -0.11 -3.51 0.32 0.00 0.04 0.00 0.00 34.50 31.24 2kwc s PRO 42 CO 0.52 -0.40 0.99 -1.91 0.04 0.00 0.00 177.00 176.23 2kwc n GLU 43 N 4.90 -2.94 -4.50 4.56 2.13 -1.26 -4.81 120.64 118.72 2kwc n GLU 43 Ca 0.10 -0.84 -0.30 0.00 0.66 0.00 0.00 57.16 56.79 2kwc n GLU 43 Cb 0.46 -2.12 -0.07 0.00 0.27 0.00 0.00 31.44 29.98 2kwc n GLU 43 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2kwc s ILE 44 N -2.35 1.54 0.04 6.31 -4.36 -1.26 -4.88 121.20 116.24 2kwc s ILE 44 Ca 0.69 -1.87 -0.25 0.00 -0.26 0.00 0.00 60.65 58.96 2kwc s ILE 44 Cb -0.24 -2.41 -0.14 0.00 1.25 0.00 0.00 42.46 40.92 2kwc s ILE 44 CO 0.65 0.00 1.37 0.44 0.24 0.00 0.00 174.94 177.64 2kwc h ASP 45 N 1.32 -0.77 -1.14 4.36 5.19 -1.97 -3.48 116.42 119.94 2kwc h ASP 45 Ca -0.43 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2kwc h ASP 45 Cb 1.29 0.20 0.00 0.00 0.18 0.00 0.00 39.33 41.00 2kwc h ASP 45 CO 0.72 -0.55 0.00 2.29 -3.12 0.00 0.00 179.24 178.58 2kwc n LYS 46 N -4.45 0.00 -3.85 3.56 0.00 -1.26 -5.13 118.16 107.04 2kwc n LYS 46 Ca -0.11 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.85 2kwc n LYS 46 Cb 0.36 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.26 2kwc n LYS 46 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2kwc s ARG 47 N -1.57 1.94 -0.29 -1.58 1.70 -1.26 -4.99 118.95 112.89 2kwc s ARG 47 Ca 0.00 -1.76 0.01 0.00 -0.47 0.00 0.00 55.73 53.52 2kwc s ARG 47 Cb 0.00 -3.44 0.19 0.00 -0.57 0.00 0.00 34.95 31.13 2kwc s ARG 47 CO 0.00 -0.98 0.58 0.21 -1.08 0.00 0.00 175.30 174.03 2kwc s LYS 48 N 1.10 0.55 -0.28 3.89 2.20 -1.26 -4.78 119.74 121.16 2kwc s LYS 48 Ca 0.07 0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 56.46 2kwc s LYS 48 Cb -0.22 0.38 0.11 0.00 -1.51 0.00 0.00 37.83 36.59 2kwc s LYS 48 CO -0.05 -0.78 0.18 0.71 -0.36 0.00 0.00 175.35 175.06 2kwc s TYR 49 N 2.83 0.06 -0.94 4.03 1.51 -1.20 -5.06 117.35 118.58 2kwc s TYR 49 Ca 0.17 -0.60 -0.24 0.00 -1.01 0.00 0.00 57.07 55.39 2kwc s TYR 49 Cb -0.13 -0.74 0.04 0.00 -0.11 0.00 0.00 41.96 41.01 2kwc s TYR 49 CO -0.23 -0.83 1.47 -0.51 -1.11 0.00 0.00 175.55 174.35 2kwc s LEU 50 N 2.19 3.40 -0.15 -1.29 1.43 -1.26 -2.30 118.68 120.69 2kwc s LEU 50 Ca 0.09 -1.14 -0.20 0.00 -1.03 0.00 0.00 54.13 51.85 2kwc s LEU 50 Cb -0.15 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 2kwc s LEU 50 CO -0.33 -1.71 0.57 -0.69 0.23 0.00 0.00 176.35 174.41 2kwc s VAL 51 N 5.71 5.10 0.97 -1.59 1.01 0.17 -4.78 120.40 126.98 2kwc s VAL 51 Ca 0.47 1.10 -0.14 0.00 0.00 0.00 0.00 61.98 63.40 2kwc s VAL 51 Cb -0.03 -3.89 0.18 0.00 0.00 0.00 0.00 36.38 32.64 2kwc s VAL 51 CO -0.03 0.21 1.17 -2.16 0.00 0.00 0.00 175.10 174.29 2kwc s PRO 52 N 1.28 0.60 0.00 2.72 0.04 -1.26 0.19 135.00 138.57 2kwc s PRO 52 Ca 0.28 0.09 0.11 0.00 0.04 0.00 0.00 61.00 61.51 2kwc s PRO 52 Cb -0.16 -1.80 0.44 0.00 0.04 0.00 0.00 34.50 33.03 2kwc s PRO 52 CO 0.11 -2.52 1.31 0.00 0.04 0.00 0.00 177.00 175.95 2kwc n ALA 53 N -3.95 2.51 -0.00 8.56 0.00 -1.23 -2.94 120.51 123.45 2kwc n ALA 53 Ca 0.09 -0.30 0.05 0.00 0.00 0.00 0.00 53.44 53.28 2kwc n ALA 53 Cb 0.59 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 2kwc n ALA 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kwc n ASP 54 N -0.10 2.74 -4.83 0.00 4.64 -1.26 -4.50 116.55 113.24 2kwc n ASP 54 Ca 0.09 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 53.18 2kwc n ASP 54 Cb 0.16 1.45 -0.01 0.00 -1.04 0.00 0.00 41.12 41.68 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2kwc s LEU 55 N -3.69 3.53 0.45 -2.67 0.20 -1.15 -4.95 118.68 110.41 2kwc s LEU 55 Ca -0.04 1.64 0.06 0.00 0.69 0.00 0.00 54.13 56.48 2kwc s LEU 55 Cb 0.06 -4.51 -0.03 0.00 -0.43 0.00 0.00 46.19 41.28 2kwc s LEU 55 CO 0.41 -0.83 0.15 0.42 -0.29 0.00 0.00 176.35 176.21 2kwc s THR 56 N -2.64 1.90 0.10 3.68 -4.23 -1.26 -2.11 115.64 111.09 2kwc s THR 56 Ca 0.60 -1.78 -0.27 0.00 -1.18 0.00 0.00 61.69 59.06 2kwc s THR 56 Cb -0.12 -2.68 -0.12 0.00 1.34 0.00 0.00 72.50 70.92 2kwc s THR 56 CO 0.36 0.00 1.66 0.58 -0.54 0.00 0.00 174.62 176.68 2kwc h VAL 57 N 1.36 0.56 -0.68 2.29 2.07 -1.33 -2.61 116.25 117.92 2kwc h VAL 57 Ca -0.42 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.16 2kwc h VAL 57 Cb 1.27 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 2kwc h VAL 57 CO 0.71 0.00 -0.46 1.23 0.02 0.00 0.00 177.57 179.07 2kwc h GLY 58 N -0.43 -1.25 -0.43 2.17 0.00 -1.45 0.46 103.07 102.15 2kwc h GLY 58 Ca 0.00 0.85 0.23 0.00 0.00 0.00 0.00 47.33 48.41 2kwc h GLY 58 CO -0.05 -0.20 0.22 1.46 0.00 0.00 0.00 176.54 177.96 2kwc h GLN 59 N -0.07 0.20 -0.69 4.80 1.08 -1.78 1.00 115.11 119.65 2kwc h GLN 59 Ca 0.11 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.38 2kwc h GLN 59 Cb 0.35 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 2kwc h GLN 59 CO -0.67 0.13 0.45 0.35 -0.95 0.00 0.00 178.83 178.14 2kwc h PHE 60 N 0.20 0.63 0.00 2.96 3.57 0.26 0.54 116.94 125.10 2kwc h PHE 60 Ca 0.54 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.05 2kwc h PHE 60 Cb 1.07 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2kwc h PHE 60 CO -0.28 0.31 0.00 0.28 -2.23 0.00 0.00 178.31 176.39 2kwc h VAL 61 N 0.60 0.00 0.00 1.41 2.07 0.23 -2.85 116.25 117.70 2kwc h VAL 61 Ca 0.31 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2kwc h VAL 61 Cb 0.42 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2kwc h VAL 61 CO -0.10 0.00 -0.07 0.22 0.02 0.00 0.00 177.57 177.64 2kwc h TYR 62 N 0.00 0.00 -0.68 1.57 5.03 0.68 -3.07 116.97 120.49 2kwc h TYR 62 Ca 0.00 0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.42 2kwc h TYR 62 Cb 0.48 0.00 -0.12 0.00 1.55 0.00 0.00 36.73 38.64 2kwc h TYR 62 CO 0.00 0.00 -0.37 -0.39 -1.32 0.00 0.00 178.16 176.08 2kwc h VAL 63 N -0.61 0.12 -0.25 1.81 -1.51 -1.40 0.84 116.25 115.24 2kwc h VAL 63 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.52 2kwc h VAL 63 Cb 0.07 0.12 -0.08 0.00 -2.13 0.00 0.00 31.29 29.26 2kwc h VAL 63 CO 0.00 0.00 -0.47 0.40 -1.23 0.00 0.00 177.57 176.27 2kwc h ILE 64 N -0.14 0.08 -1.33 7.19 5.03 -1.68 0.71 117.51 127.37 2kwc h ILE 64 Ca 0.25 0.00 0.39 0.00 -0.12 0.00 0.00 64.86 65.37 2kwc h ILE 64 Cb 0.56 0.08 -0.05 0.00 -3.03 0.00 0.00 36.82 34.38 2kwc h ILE 64 CO -0.75 0.00 1.17 -0.09 -0.68 0.00 0.00 178.15 177.79 2kwc h ARG 65 N -0.45 0.00 0.04 2.37 2.43 -0.75 1.51 114.38 119.53 2kwc h ARG 65 Ca 0.09 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2kwc h ARG 65 Cb 0.62 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2kwc h ARG 65 CO -0.49 0.00 -0.34 0.87 -1.51 0.00 0.00 179.97 178.50 2kwc h LYS 66 N 0.00 0.16 -0.20 0.20 1.79 0.10 1.47 116.57 120.09 2kwc h LYS 66 Ca 0.63 -0.22 0.06 0.00 -2.18 0.00 0.00 60.65 58.94 2kwc h LYS 66 Cb 2.96 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 33.68 2kwc h LYS 66 CO -0.01 1.05 0.19 0.00 -1.08 0.00 0.00 179.45 179.59 2kwc h ARG 67 N -0.62 0.00 0.00 3.15 2.47 0.31 0.60 114.38 120.28 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 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2kwc h ARG 67 CO 0.06 0.00 -0.97 0.44 0.56 0.00 0.00 179.97 180.07 2kwc n ILE 68 N -4.00 0.00 -4.27 2.04 -5.35 -0.07 -4.78 119.36 102.94 2kwc n ILE 68 Ca 0.02 -0.23 -0.31 0.00 -0.27 0.00 0.00 62.75 61.96 2kwc n ILE 68 Cb 0.32 0.73 -0.09 0.00 -1.74 0.00 0.00 39.64 38.86 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 -1.54 -1.33 -0.88 6.28 0.00 0.50 -4.87 117.12 115.28 2kwc n MET 69 Ca 0.01 0.15 -0.30 0.00 0.00 0.00 0.00 57.70 57.56 2kwc n MET 69 Cb 0.26 -3.82 0.17 0.00 0.00 0.00 0.00 33.22 29.84 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 -7.31 2.09 0.67 3.17 1.43 -0.89 -5.00 118.68 112.84 2kwc s LEU 70 Ca 0.06 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 54.77 2kwc s LEU 70 Cb -0.03 -4.01 -0.00 0.00 0.03 0.00 0.00 46.19 42.17 2kwc s LEU 70 CO 0.98 -3.17 1.06 -2.16 0.23 0.00 0.00 176.35 173.29 2kwc s PRO 71 N -4.72 3.04 0.00 1.29 0.04 -1.26 -4.93 135.00 128.46 2kwc s PRO 71 Ca 0.66 1.00 0.24 0.00 0.04 0.00 0.00 61.00 62.93 2kwc s PRO 71 Cb -0.21 -2.00 1.34 0.00 0.04 0.00 0.00 34.50 33.67 2kwc s PRO 71 CO 0.59 -1.02 1.78 -0.35 0.04 0.00 0.00 177.00 178.05 2kwc n PRO 72 N -2.88 0.61 -0.00 0.56 -0.04 -1.26 -2.09 135.00 129.90 2kwc n PRO 72 Ca 0.08 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 2kwc n PRO 72 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.10 0.21 -3.16 0.54 0.28 -1.26 -4.95 120.64 111.21 2kwc n GLU 73 Ca 0.16 -0.06 -0.20 0.00 -0.16 0.00 0.00 57.16 56.90 2kwc n GLU 73 Cb 0.12 -1.51 0.01 0.00 1.43 0.00 0.00 31.44 31.48 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 -3.16 3.00 -0.23 3.44 1.02 -0.89 -5.10 119.74 117.83 2kwc s LYS 74 Ca 0.03 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.16 2kwc s LYS 74 Cb 0.15 -2.68 0.09 0.00 -0.52 0.00 0.00 37.83 34.87 2kwc s LYS 74 CO 0.87 -0.18 0.17 0.00 -0.92 0.00 0.00 175.35 175.29 2kwc s ALA 75 N -2.39 0.15 0.11 5.17 0.00 -1.26 -4.88 121.76 118.66 2kwc s ALA 75 Ca 0.49 -0.34 -0.14 0.00 0.00 0.00 0.00 51.96 51.97 2kwc s ALA 75 Cb -0.10 -1.31 -0.07 0.00 0.00 0.00 0.00 23.12 21.65 2kwc s ALA 75 CO 0.34 -1.37 0.51 -1.50 0.00 0.00 0.00 175.76 173.74 2kwc s ILE 76 N 2.21 4.90 0.31 0.00 2.07 -1.26 -4.19 121.20 125.25 2kwc s ILE 76 Ca 0.06 0.81 0.10 0.00 -1.41 0.00 0.00 60.65 60.22 2kwc s ILE 76 Cb -0.16 -3.74 -0.06 0.00 0.13 0.00 0.00 42.46 38.64 2kwc s ILE 76 CO -0.20 0.32 -0.10 -0.36 -1.91 0.00 0.00 174.94 172.69 2kwc s PHE 77 N -1.37 2.42 -0.12 3.50 0.08 -1.07 -4.94 117.98 116.48 2kwc s PHE 77 Ca 0.34 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 57.02 2kwc s PHE 77 Cb -0.16 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.05 2kwc s PHE 77 CO 0.18 0.61 -0.22 0.42 -0.10 0.00 0.00 175.22 176.12 2kwc s ILE 78 N -2.53 2.20 -0.05 0.64 -1.09 -1.26 -2.10 121.20 117.00 2kwc s ILE 78 Ca 0.32 -0.95 0.06 0.00 -2.23 0.00 0.00 60.65 57.85 2kwc s ILE 78 Cb -0.02 -1.87 -0.01 0.00 -1.58 0.00 0.00 42.46 38.99 2kwc s ILE 78 CO 0.17 0.55 -0.25 -0.36 -1.23 0.00 0.00 174.94 173.82 2kwc s PHE 79 N 0.53 2.40 -0.01 3.97 0.40 0.12 -4.57 117.98 120.81 2kwc s PHE 79 Ca -0.13 -0.69 0.02 0.00 -0.60 0.00 0.00 56.93 55.53 2kwc s PHE 79 Cb -0.17 -1.57 -0.00 0.00 0.51 0.00 0.00 43.02 41.79 2kwc s PHE 79 CO 0.05 -0.20 -0.08 0.54 0.70 0.00 0.00 175.22 176.23 2kwc s VAL 80 N -0.20 0.62 -1.08 -0.44 0.11 -0.59 -0.67 120.40 118.16 2kwc s VAL 80 Ca -0.02 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 2kwc s VAL 80 Cb -0.13 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 2kwc s VAL 80 CO 0.03 0.19 0.00 0.59 -3.33 0.00 0.00 175.10 172.58 2kwc n ASN 81 N 3.09 -3.88 -1.88 3.54 3.02 -1.26 0.14 115.26 118.03 2kwc n ASN 81 Ca -0.15 0.20 -0.13 0.00 -0.03 0.00 0.00 54.58 54.46 2kwc n ASN 81 Cb 0.56 -3.32 0.02 0.00 -0.61 0.00 0.00 39.78 36.43 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 -1.71 -4.30 -2.15 6.41 9.92 -1.26 -5.00 116.55 118.46 2kwc n ASP 82 Ca -0.15 -0.16 -0.09 0.00 -0.53 0.00 0.00 54.79 53.87 2kwc n ASP 82 Cb 0.60 -3.20 -0.03 0.00 -0.64 0.00 0.00 41.12 37.85 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 -4.01 0.00 -3.42 -3.53 5.66 0.36 -5.14 114.28 104.20 2kwc n THR 83 Ca -0.08 -0.94 -0.22 0.00 -3.05 0.00 0.00 64.05 59.76 2kwc n THR 83 Cb 0.58 0.40 -0.10 0.00 -1.55 0.00 0.00 70.33 69.66 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 0.26 0.99 1.09 2.96 -1.26 -1.54 118.68 121.17 2kwc s LEU 84 Ca 0.12 -1.55 -0.15 0.00 -0.22 0.00 0.00 54.13 52.33 2kwc s LEU 84 Cb 0.01 0.18 0.18 0.00 0.50 0.00 0.00 46.19 47.06 2kwc s LEU 84 CO 0.08 -0.32 1.17 -2.16 -1.32 0.00 0.00 176.35 173.80 2kwc s PRO 85 N 1.60 0.52 0.92 0.98 0.04 -1.26 -5.05 135.00 132.74 2kwc s PRO 85 Ca 0.15 0.05 -0.13 0.00 0.04 0.00 0.00 61.00 61.12 2kwc s PRO 85 Cb -0.17 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.72 2kwc s PRO 85 CO -0.12 -2.57 1.14 -1.25 0.04 0.00 0.00 177.00 174.24 2kwc s PRO 86 N -5.45 1.05 0.29 0.56 0.04 -1.26 -4.98 135.00 125.26 2kwc s PRO 86 Ca 0.68 0.26 0.23 0.00 0.04 0.00 0.00 61.00 62.20 2kwc s PRO 86 Cb -0.11 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.75 2kwc s PRO 86 CO 0.54 -2.25 1.28 0.00 0.04 0.00 0.00 177.00 176.60 2kwc h THR 87 N -1.54 0.00 0.00 1.26 1.03 -1.97 -3.27 112.91 108.43 2kwc h THR 87 Ca -0.50 -0.98 -0.18 0.00 -0.01 0.00 0.00 66.41 64.74 2kwc h THR 87 Cb 1.33 1.68 -0.03 0.00 -1.07 0.00 0.00 68.15 70.06 2kwc h THR 87 CO 0.60 0.00 -1.06 0.00 -0.01 0.00 0.00 175.52 175.05 2kwc h ALA 88 N 2.02 0.58 -1.18 0.00 0.00 -1.96 -1.16 119.26 117.56 2kwc h ALA 88 Ca 0.00 -0.86 -0.78 0.00 0.00 0.00 0.00 54.91 53.28 2kwc h ALA 88 Cb 0.99 0.07 0.04 0.00 0.00 0.00 0.00 17.79 18.89 2kwc h ALA 88 CO 0.00 1.05 0.29 0.00 0.00 0.00 0.00 179.25 180.59 2kwc n ALA 89 N -2.36 -2.53 -2.61 0.00 0.00 -1.23 -4.69 120.51 107.10 2kwc n ALA 89 Ca -0.04 0.55 -0.42 0.00 0.00 0.00 0.00 53.44 53.53 2kwc n ALA 89 Cb 0.88 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 0.77 4.31 0.47 0.00 1.98 -1.26 -1.83 118.68 123.11 2kwc s LEU 90 Ca 0.92 1.70 0.25 0.00 -2.89 0.00 0.00 54.13 54.11 2kwc s LEU 90 Cb -1.22 -3.56 1.37 0.00 0.66 0.00 0.00 46.19 43.44 2kwc s LEU 90 CO 0.59 -0.42 1.74 0.24 -1.89 0.00 0.00 176.35 176.62 2kwc h MET 91 N 7.03 0.00 0.02 1.98 2.86 -1.71 0.37 114.93 125.48 2kwc h MET 91 Ca -0.36 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.18 2kwc h MET 91 Cb 1.18 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.85 2kwc h MET 91 CO 0.82 0.00 -0.37 0.66 1.06 0.00 0.00 176.91 179.08 2kwc h SER 92 N 0.00 0.29 1.11 1.22 4.64 -1.79 -1.03 113.55 117.99 2kwc h SER 92 Ca 0.00 -0.83 -0.12 0.00 -0.47 0.00 0.00 61.79 60.36 2kwc h SER 92 Cb 0.35 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 2kwc h SER 92 CO 0.00 1.09 -0.59 0.00 -0.87 0.00 0.00 176.83 176.46 2kwc h ALA 93 N 0.21 0.72 0.42 5.18 0.00 -1.34 -2.30 119.26 122.15 2kwc h ALA 93 Ca -0.05 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 2kwc h ALA 93 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kwc h ALA 93 CO 0.07 0.73 -0.20 0.82 0.00 0.00 0.00 179.25 180.67 2kwc h ILE 94 N 0.00 0.00 0.00 0.00 1.08 -0.43 -2.77 117.51 115.39 2kwc h ILE 94 Ca -0.01 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 2kwc h ILE 94 Cb 1.30 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 2kwc h ILE 94 CO 0.08 0.00 0.00 0.22 -0.69 0.00 0.00 178.15 177.76 2kwc h TYR 95 N -1.07 0.00 -0.12 1.37 3.20 -1.27 0.81 116.97 119.89 2kwc h TYR 95 Ca -0.06 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.59 2kwc h TYR 95 Cb 0.44 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.71 2kwc h TYR 95 CO 0.01 0.00 -0.80 1.96 -1.64 0.00 0.00 178.16 177.69 2kwc h GLN 96 N 0.00 0.70 -0.02 1.82 4.20 -1.34 0.57 115.11 121.04 2kwc h GLN 96 Ca 0.00 -0.59 0.00 0.00 0.06 0.00 0.00 58.65 58.12 2kwc h GLN 96 Cb 0.01 0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2kwc h GLN 96 CO 0.00 1.20 -0.25 0.39 -0.67 0.00 0.00 178.83 179.50 2kwc n GLU 97 N -3.90 1.60 -0.07 1.46 1.02 -0.26 -4.30 120.64 116.18 2kwc n GLU 97 Ca -0.07 -1.20 -0.08 0.00 -0.02 0.00 0.00 57.16 55.79 2kwc n GLU 97 Cb 0.76 -1.38 -0.11 0.00 -0.02 0.00 0.00 31.44 30.69 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 0.37 0.00 -1.45 -0.32 8.25 0.27 -5.00 115.22 117.34 2kwc n HIS 98 Ca 0.09 0.00 -0.53 0.00 -0.26 0.00 0.00 57.72 57.03 2kwc n HIS 98 Cb 0.44 -0.71 -0.05 0.00 1.12 0.00 0.00 29.99 30.79 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 -2.59 0.06 -3.31 -0.41 0.00 0.20 -4.86 118.16 107.25 2kwc n LYS 99 Ca -0.24 0.02 -0.22 0.00 0.00 0.00 0.00 58.31 57.86 2kwc n LYS 99 Cb 0.95 -1.25 0.05 0.00 0.00 0.00 0.00 35.03 34.78 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 -0.54 4.88 0.40 3.14 3.68 -1.23 -4.94 116.67 122.07 2kwc s ASP 100 Ca 0.76 -1.04 0.28 0.00 2.13 0.00 0.00 52.55 54.68 2kwc s ASP 100 Cb -1.07 0.49 1.31 0.00 -1.45 0.00 0.00 42.92 42.20 2kwc s ASP 100 CO 0.56 -1.36 1.86 0.11 0.13 0.00 0.00 175.17 176.47 2kwc h LYS 101 N 0.28 0.00 0.00 4.34 1.57 -1.92 0.33 116.57 121.17 2kwc h LYS 101 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2kwc h LYS 101 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2kwc h LYS 101 CO 0.45 0.00 -0.46 -0.44 -0.57 0.00 0.00 179.45 178.43 2kwc h ASP 102 N 0.00 0.00 0.00 0.86 3.45 -1.98 -3.48 116.42 115.27 2kwc h ASP 102 Ca 0.00 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.40 2kwc h ASP 102 Cb 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 2kwc h ASP 102 CO 0.00 0.03 0.00 0.61 -1.57 0.00 0.00 179.24 178.31 2kwc n GLY 103 N 1.22 2.54 3.09 2.75 0.00 0.10 -4.49 105.19 110.40 2kwc n GLY 103 Ca 0.03 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.95 -4.87 1.61 3.72 -1.26 -4.08 117.46 110.64 2kwc n PHE 104 Ca 0.00 0.11 -0.32 0.00 -0.05 0.00 0.00 57.45 57.19 2kwc n PHE 104 Cb 0.00 -1.44 -0.16 0.00 -0.94 0.00 0.00 39.48 36.94 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 2.16 -0.30 4.37 2.96 -1.24 -3.50 118.68 123.75 2kwc s LEU 105 Ca 0.41 -0.57 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 2kwc s LEU 105 Cb -0.06 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 2kwc s LEU 105 CO 0.46 0.11 0.25 -0.31 -1.32 0.00 0.00 176.35 175.54 2kwc s TYR 106 N 0.62 3.23 0.03 5.38 1.51 -1.26 -0.31 117.35 126.55 2kwc s TYR 106 Ca -0.12 0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 56.00 2kwc s TYR 106 Cb -0.16 -2.47 -0.02 0.00 -0.11 0.00 0.00 41.96 39.20 2kwc s TYR 106 CO 0.03 -0.24 0.06 0.54 -1.11 0.00 0.00 175.55 174.82 2kwc s VAL 107 N 1.84 0.14 -0.15 0.71 0.11 -1.20 -4.17 120.40 117.69 2kwc s VAL 107 Ca 0.09 -1.12 -0.11 0.00 -2.93 0.00 0.00 61.98 57.90 2kwc s VAL 107 Cb -0.16 -0.83 0.04 0.00 -1.53 0.00 0.00 36.38 33.90 2kwc s VAL 107 CO 0.11 -0.62 0.38 -0.89 -3.33 0.00 0.00 175.10 170.75 2kwc s THR 108 N -2.48 -0.01 0.46 5.04 2.01 0.15 -0.74 115.64 120.07 2kwc s THR 108 Ca -0.06 0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.05 2kwc s THR 108 Cb -0.02 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 2kwc s THR 108 CO -0.04 0.02 0.34 -0.72 -0.69 0.00 0.00 174.62 173.53 2kwc s TYR 109 N 0.68 2.29 -0.29 4.92 -0.85 -1.17 0.16 117.35 123.08 2kwc s TYR 109 Ca -0.04 -0.64 -0.13 0.00 -0.52 0.00 0.00 57.07 55.74 2kwc s TYR 109 Cb -0.05 -2.03 0.11 0.00 0.38 0.00 0.00 41.96 40.37 2kwc s TYR 109 CO -0.05 -0.18 0.68 -1.54 -1.52 0.00 0.00 175.55 172.95 2kwc s SER 110 N -4.13 -1.05 0.58 -0.18 1.04 -0.89 -2.67 113.70 106.40 2kwc s SER 110 Ca 0.41 1.52 0.39 0.00 0.48 0.00 0.00 55.95 58.76 2kwc s SER 110 Cb -0.01 1.91 1.38 0.00 0.10 0.00 0.00 66.02 69.40 2kwc s SER 110 CO 0.24 -0.22 1.49 1.23 0.98 0.00 0.00 173.24 176.96 2kwc h GLY 111 N 7.56 0.00 -3.02 7.32 0.00 -1.88 -2.85 103.07 110.20 2kwc h GLY 111 Ca -0.23 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.51 2kwc h GLY 111 CO 0.12 0.00 -0.69 1.85 0.00 0.00 0.00 176.54 177.83 2kwc s GLU 112 N -4.68 2.16 -1.43 4.80 2.12 -1.26 -4.08 118.70 116.32 2kwc s GLU 112 Ca -0.04 -1.35 -0.09 0.00 0.36 0.00 0.00 54.97 53.86 2kwc s GLU 112 Cb 0.21 -2.15 0.05 0.00 0.26 0.00 0.00 34.13 32.50 2kwc s GLU 112 CO 0.70 0.40 2.45 -1.71 -0.54 0.00 0.00 175.26 176.57 2kwc n ASN 113 N -0.39 7.14 -4.65 -1.70 2.85 -1.26 -4.69 115.26 112.57 2kwc n ASN 113 Ca -0.09 -2.91 -0.35 0.00 -0.11 0.00 0.00 54.58 51.13 2kwc n ASN 113 Cb 0.57 -1.49 -0.10 0.00 1.24 0.00 0.00 39.78 40.00 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 0.80 4.29 -2.65 -0.44 -4.23 -1.26 -4.99 115.64 107.17 2kwc s THR 114 Ca 0.55 -0.24 0.23 0.00 -1.18 0.00 0.00 61.69 61.05 2kwc s THR 114 Cb 0.16 -2.83 0.33 0.00 1.34 0.00 0.00 72.50 71.50 2kwc s THR 114 CO -0.06 0.57 1.34 0.49 -0.54 0.00 0.00 174.62 176.42 2kwc n PHE 115 N 2.52 0.31 0.00 3.99 3.01 -1.26 -4.98 117.46 121.04 2kwc n PHE 115 Ca -0.18 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.12 2kwc n PHE 115 Cb 0.53 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18