#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 0.32 -3.79 0.03 2.85 -1.26 -4.90 118.16 111.41 2kwc n LYS 2 Ca 0.00 0.12 -0.30 0.00 -1.05 0.00 0.00 58.31 57.08 2kwc n LYS 2 Cb 0.00 -1.09 -0.14 0.00 -0.65 0.00 0.00 35.03 33.15 2kwc n LYS 2 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2kwc s SER 3 N -6.00 4.00 0.33 -5.58 0.15 -1.26 -4.91 113.70 100.42 2kwc s SER 3 Ca -0.20 -2.27 0.06 0.00 0.70 0.00 0.00 55.95 54.24 2kwc s SER 3 Cb 0.07 -1.12 0.71 0.00 -1.71 0.00 0.00 66.02 63.97 2kwc s SER 3 CO 0.27 -0.33 1.86 0.71 1.20 0.00 0.00 173.24 176.95 2kwc h THR 4 N 5.88 0.87 -0.41 6.45 1.35 -2.01 0.16 112.91 125.20 2kwc h THR 4 Ca -0.06 -0.28 0.12 0.00 -0.55 0.00 0.00 66.41 65.64 2kwc h THR 4 Cb 0.97 -0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.35 2kwc h THR 4 CO 0.50 0.15 0.61 -0.26 -0.25 0.00 0.00 175.52 176.27 2kwc h PHE 5 N 0.82 0.00 0.12 4.73 -1.00 -1.93 1.31 116.94 120.99 2kwc h PHE 5 Ca 0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.25 2kwc h PHE 5 Cb 0.62 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 2kwc h PHE 5 CO -0.00 0.00 -0.25 -0.22 -1.61 0.00 0.00 178.31 176.23 2kwc h LYS 6 N 0.00 -0.38 0.00 1.51 3.11 -0.90 -2.93 116.57 116.98 2kwc h LYS 6 Ca 0.19 0.03 -0.43 0.00 -2.81 0.00 0.00 60.65 57.63 2kwc h LYS 6 Cb 1.41 0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 32.66 2kwc h LYS 6 CO -0.00 -0.26 -2.50 -1.13 -2.81 0.00 0.00 179.45 172.75 2kwc n SER 7 N -3.84 1.96 -0.35 4.20 3.41 -0.62 -4.47 113.62 113.92 2kwc n SER 7 Ca -0.05 0.13 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 2kwc n SER 7 Cb 0.20 -0.63 0.24 0.00 -0.26 0.00 0.00 64.21 63.76 2kwc n SER 7 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2kwc n GLU 8 N -3.81 -0.08 -4.39 4.33 4.07 0.44 -4.45 120.64 116.76 2kwc n GLU 8 Ca -0.50 1.50 -0.24 0.00 -0.06 0.00 0.00 57.16 57.85 2kwc n GLU 8 Cb 0.93 -2.33 -0.09 0.00 -0.06 0.00 0.00 31.44 29.88 2kwc n GLU 8 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 2kwc s TYR 9 N -6.06 2.47 0.86 4.31 2.02 -1.11 -4.97 117.35 114.87 2kwc s TYR 9 Ca -0.13 -0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.17 2kwc s TYR 9 Cb 0.28 -1.10 0.11 0.00 -0.40 0.00 0.00 41.96 40.84 2kwc s TYR 9 CO 0.77 0.65 1.12 -1.25 -1.57 0.00 0.00 175.55 175.27 2kwc s PRO 10 N -3.45 1.59 0.01 -1.71 0.04 -1.26 -4.48 135.00 125.74 2kwc s PRO 10 Ca 0.29 0.45 -0.10 0.00 0.04 0.00 0.00 61.00 61.69 2kwc s PRO 10 Cb -0.06 -1.88 -0.32 0.00 0.04 0.00 0.00 34.50 32.29 2kwc s PRO 10 CO 0.16 -1.92 0.92 0.35 0.04 0.00 0.00 177.00 176.55 2kwc h PHE 11 N -1.30 0.73 0.00 0.56 3.04 -1.88 -3.23 116.94 114.85 2kwc h PHE 11 Ca -0.49 -0.53 0.00 0.00 3.98 0.00 0.00 57.97 60.93 2kwc h PHE 11 Cb 1.30 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.78 2kwc h PHE 11 CO 0.37 1.50 0.00 1.49 -2.02 0.00 0.00 178.31 179.66 2kwc h GLU 12 N 0.11 0.00 -0.01 1.11 4.81 -1.99 -1.63 114.58 116.99 2kwc h GLU 12 Ca -0.25 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2kwc h GLU 12 Cb 2.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.47 2kwc h GLU 12 CO 0.22 0.00 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.20 2kwc h LYS 13 N 0.00 0.07 0.00 1.92 1.63 -1.95 0.21 116.57 118.44 2kwc h LYS 13 Ca 0.00 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2kwc h LYS 13 Cb 0.07 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2kwc h LYS 13 CO 0.00 0.77 -0.02 -0.09 -3.45 0.00 0.00 179.45 176.67 2kwc h ARG 14 N -0.62 0.00 0.18 1.90 9.65 -1.43 -1.77 114.38 122.29 2kwc h ARG 14 Ca -0.01 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.56 2kwc h ARG 14 Cb 0.79 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.39 2kwc h ARG 14 CO 0.02 0.02 -1.53 -0.22 2.80 0.00 0.00 179.97 181.05 2kwc h LYS 15 N 0.00 0.37 -0.29 0.20 3.64 -1.36 -2.83 116.57 116.30 2kwc h LYS 15 Ca -0.00 -0.64 0.01 0.00 -1.27 0.00 0.00 60.65 58.76 2kwc h LYS 15 Cb 0.34 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2kwc h LYS 15 CO 0.00 1.31 0.16 0.00 -2.27 0.00 0.00 179.45 178.64 2kwc h ALA 16 N 0.07 0.35 -0.31 5.00 0.00 -0.45 1.47 119.26 125.40 2kwc h ALA 16 Ca -0.30 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2kwc h ALA 16 Cb 1.98 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 2kwc h ALA 16 CO 0.16 -0.23 -0.02 1.05 0.00 0.00 0.00 179.25 180.21 2kwc h GLU 17 N 0.32 0.48 0.00 0.00 4.11 -1.47 -0.87 114.58 117.16 2kwc h GLU 17 Ca 0.12 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2kwc h GLU 17 Cb 0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2kwc h GLU 17 CO -0.07 0.53 -0.28 0.45 0.07 0.00 0.00 179.01 179.72 2kwc n SER 18 N -4.28 0.38 0.11 3.06 2.88 -0.62 -2.92 113.62 112.24 2kwc n SER 18 Ca 0.01 0.18 -0.17 0.00 -1.33 0.00 0.00 58.87 57.56 2kwc n SER 18 Cb 0.25 -0.16 -0.14 0.00 -0.75 0.00 0.00 64.21 63.41 2kwc n SER 18 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2kwc h GLU 19 N 0.00 0.32 0.08 -1.46 4.39 0.34 -2.09 114.58 116.16 2kwc h GLU 19 Ca 0.00 -0.54 -0.20 0.00 0.34 0.00 0.00 59.36 58.96 2kwc h GLU 19 Cb 0.56 0.20 0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2kwc h GLU 19 CO 0.00 1.26 -0.83 0.07 -1.16 0.00 0.00 179.01 178.35 2kwc h ARG 20 N 0.09 0.42 0.00 2.33 0.11 -1.47 -1.14 114.38 114.73 2kwc h ARG 20 Ca -0.15 -0.56 0.00 0.00 0.10 0.00 0.00 59.98 59.36 2kwc h ARG 20 Cb 2.00 0.19 0.00 0.00 1.11 0.00 0.00 29.97 33.27 2kwc h ARG 20 CO 0.22 1.22 0.00 0.82 0.10 0.00 0.00 179.97 182.33 2kwc h ILE 21 N -0.11 0.00 0.10 0.08 2.04 -1.64 0.17 117.51 118.15 2kwc h ILE 21 Ca -0.13 -0.41 -0.25 0.00 1.00 0.00 0.00 64.86 65.07 2kwc h ILE 21 Cb 1.58 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2kwc h ILE 21 CO 0.16 0.00 -1.28 0.00 0.00 0.00 0.00 178.15 177.03 2kwc h ALA 22 N 2.10 0.15 -0.41 1.87 0.00 -1.33 -0.97 119.26 120.66 2kwc h ALA 22 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 54.91 53.78 2kwc h ALA 22 Cb 0.46 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2kwc h ALA 22 CO 0.00 0.73 -0.12 0.22 0.00 0.00 0.00 179.25 180.08 2kwc h ASP 23 N -0.39 0.81 0.22 0.00 1.82 -0.96 0.11 116.42 118.03 2kwc h ASP 23 Ca -0.28 -0.37 -0.01 0.00 -0.39 0.00 0.00 57.03 55.98 2kwc h ASP 23 Cb 1.68 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.47 2kwc h ASP 23 CO 0.04 1.00 -0.10 -0.09 -1.61 0.00 0.00 179.24 178.48 2kwc h ARG 24 N 0.62 -0.28 -2.65 0.28 1.12 -0.82 -3.41 114.38 109.24 2kwc h ARG 24 Ca 0.10 0.02 -0.60 0.00 -1.11 0.00 0.00 59.98 58.39 2kwc h ARG 24 Cb 0.66 0.06 -0.39 0.00 -0.01 0.00 0.00 29.97 30.29 2kwc h ARG 24 CO 0.05 0.10 -0.84 -0.06 -3.11 0.00 0.00 179.97 176.11 2kwc s PHE 25 N -3.67 1.69 -2.00 2.20 0.08 -0.37 -4.93 117.98 110.99 2kwc s PHE 25 Ca -0.12 -2.45 0.24 0.00 0.12 0.00 0.00 56.93 54.71 2kwc s PHE 25 Cb 0.01 -1.45 1.42 0.00 -0.57 0.00 0.00 43.02 42.43 2kwc s PHE 25 CO 0.47 -0.76 1.79 -0.35 -0.10 0.00 0.00 175.22 176.26 2kwc n PRO 26 N 2.96 0.75 0.00 0.24 -0.04 0.39 -1.90 135.00 137.40 2kwc n PRO 26 Ca 0.22 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 2kwc n PRO 26 Cb 0.41 -1.49 0.10 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.99 1.58 -3.95 3.54 5.03 -1.26 -4.94 115.26 114.27 2kwc n ASN 27 Ca 0.18 -1.24 -0.20 0.00 0.87 0.00 0.00 54.58 54.19 2kwc n ASN 27 Cb 0.08 0.44 0.12 0.00 -1.02 0.00 0.00 39.78 39.39 2kwc n ASN 27 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kwc n ARG 28 N -0.42 -0.26 -3.37 3.52 5.12 -0.80 -2.24 116.66 118.22 2kwc n ARG 28 Ca 0.09 -2.09 -0.18 0.00 -1.93 0.00 0.00 57.85 53.75 2kwc n ARG 28 Cb 0.42 -0.69 -0.08 0.00 -1.16 0.00 0.00 32.46 30.94 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 -2.72 -0.31 -1.06 0.55 1.01 0.49 -4.70 121.20 114.47 2kwc s ILE 29 Ca 0.56 -0.98 -0.23 0.00 0.00 0.00 0.00 60.65 60.01 2kwc s ILE 29 Cb -0.03 -0.74 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 2kwc s ILE 29 CO 0.38 -0.60 1.74 -2.16 0.00 0.00 0.00 174.94 174.31 2kwc s PRO 30 N 1.52 3.14 0.24 2.79 0.04 -1.26 -2.68 135.00 138.78 2kwc s PRO 30 Ca 0.16 -1.01 -0.19 0.00 0.04 0.00 0.00 61.00 60.00 2kwc s PRO 30 Cb -0.16 -5.27 -0.08 0.00 0.04 0.00 0.00 34.50 29.03 2kwc s PRO 30 CO -0.07 -2.90 0.73 0.08 0.04 0.00 0.00 177.00 174.88 2kwc s VAL 31 N 7.54 4.59 -0.60 -0.36 1.01 -0.76 -3.93 120.40 127.88 2kwc s VAL 31 Ca 0.59 1.23 -0.03 0.00 0.00 0.00 0.00 61.98 63.77 2kwc s VAL 31 Cb -0.02 -3.82 0.16 0.00 0.00 0.00 0.00 36.38 32.70 2kwc s VAL 31 CO 0.00 0.15 0.42 -0.63 0.00 0.00 0.00 175.10 175.04 2kwc s ILE 32 N -1.59 3.74 0.70 2.22 -1.09 -0.93 -2.20 121.20 122.04 2kwc s ILE 32 Ca 0.45 -2.80 -0.13 0.00 -2.23 0.00 0.00 60.65 55.93 2kwc s ILE 32 Cb -0.16 -3.45 0.02 0.00 -1.58 0.00 0.00 42.46 37.29 2kwc s ILE 32 CO 0.20 -0.86 1.10 0.00 -1.23 0.00 0.00 174.94 174.15 2kwc s GLU 34 N -4.44 1.26 -0.15 0.00 8.01 0.49 -4.59 118.70 119.27 2kwc s GLU 34 Ca 0.64 -1.45 -0.12 0.00 0.01 0.00 0.00 54.97 54.05 2kwc s GLU 34 Cb -0.18 -1.20 -0.05 0.00 -4.31 0.00 0.00 34.13 28.39 2kwc s GLU 34 CO 0.47 0.23 0.24 0.21 0.01 0.00 0.00 175.26 176.41 2kwc s LYS 35 N -3.09 4.09 -0.44 1.61 2.47 -1.26 -2.52 119.74 120.59 2kwc s LYS 35 Ca 0.17 0.01 -0.16 0.00 -1.56 0.00 0.00 55.97 54.43 2kwc s LYS 35 Cb -0.04 -3.37 0.04 0.00 -1.46 0.00 0.00 37.83 33.00 2kwc s LYS 35 CO 0.06 0.38 0.40 0.00 0.16 0.00 0.00 175.35 176.35 2kwc s ALA 36 N 0.08 3.48 0.09 3.13 0.00 -1.20 -4.93 121.76 122.41 2kwc s ALA 36 Ca 0.15 -1.81 -0.16 0.00 0.00 0.00 0.00 51.96 50.14 2kwc s ALA 36 Cb -0.13 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 2kwc s ALA 36 CO 0.03 -1.64 1.43 1.05 0.00 0.00 0.00 175.76 176.63 2kwc h GLU 37 N 8.73 0.62 -1.38 0.00 4.11 -1.91 -2.78 114.58 121.98 2kwc h GLU 37 Ca -0.27 -0.30 0.40 0.00 0.07 0.00 0.00 59.36 59.26 2kwc h GLU 37 Cb 1.11 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.29 2kwc h GLU 37 CO 0.82 0.89 0.97 0.87 0.07 0.00 0.00 179.01 182.63 2kwc h LYS 38 N 0.35 0.06 -7.44 1.06 1.79 -1.95 -3.40 116.57 107.04 2kwc h LYS 38 Ca 0.05 -0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.06 2kwc h LYS 38 Cb 0.74 -0.01 0.14 0.00 -1.58 0.00 0.00 32.23 31.52 2kwc h LYS 38 CO 0.05 0.04 0.26 0.45 -1.08 0.00 0.00 179.45 179.17 2kwc s SER 39 N -4.78 3.21 -0.48 0.86 0.15 -1.05 -4.94 113.70 106.66 2kwc s SER 39 Ca -0.06 1.07 0.02 0.00 0.70 0.00 0.00 55.95 57.68 2kwc s SER 39 Cb 0.25 -1.68 0.59 0.00 -1.71 0.00 0.00 66.02 63.47 2kwc s SER 39 CO 0.83 -2.75 1.92 -0.67 1.20 0.00 0.00 173.24 173.76 2kwc n ASP 40 N -3.91 4.64 -4.72 5.45 2.03 -1.26 -4.94 116.55 113.84 2kwc n ASP 40 Ca 0.06 -3.59 -0.27 0.00 0.52 0.00 0.00 54.79 51.51 2kwc n ASP 40 Cb 0.58 -0.86 -0.07 0.00 -0.72 0.00 0.00 41.12 40.05 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 -3.50 4.05 0.73 5.18 -4.36 -1.26 -4.99 121.20 117.05 2kwc s ILE 41 Ca 0.56 -1.21 -0.11 0.00 -0.26 0.00 0.00 60.65 59.64 2kwc s ILE 41 Cb 0.47 -3.03 0.03 0.00 1.25 0.00 0.00 42.46 41.18 2kwc s ILE 41 CO 0.08 -0.06 1.07 -2.16 0.24 0.00 0.00 174.94 174.11 2kwc s PRO 42 N -2.86 2.67 0.78 0.37 0.04 -1.26 -4.88 135.00 129.86 2kwc s PRO 42 Ca 0.28 0.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 2kwc s PRO 42 Cb -0.10 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.53 2kwc s PRO 42 CO 0.20 -1.26 1.14 -2.00 0.04 0.00 0.00 177.00 175.12 2kwc s GLU 43 N -5.08 2.22 0.55 4.56 2.12 -1.26 -4.92 118.70 116.88 2kwc s GLU 43 Ca 0.59 0.29 0.05 0.00 0.36 0.00 0.00 54.97 56.26 2kwc s GLU 43 Cb -0.14 -1.96 0.04 0.00 0.26 0.00 0.00 34.13 32.32 2kwc s GLU 43 CO 0.55 -1.45 0.36 0.96 -0.54 0.00 0.00 175.26 175.14 2kwc s ILE 44 N -3.44 1.52 -0.11 -3.70 -4.36 -1.26 -4.82 121.20 105.03 2kwc s ILE 44 Ca 0.61 -1.55 -0.23 0.00 -0.26 0.00 0.00 60.65 59.21 2kwc s ILE 44 Cb -0.12 -2.08 -0.20 0.00 1.25 0.00 0.00 42.46 41.32 2kwc s ILE 44 CO 0.51 0.00 0.70 0.44 0.24 0.00 0.00 174.94 176.83 2kwc h ASP 45 N 0.79 -0.02 -2.10 4.36 3.45 -1.99 -3.49 116.42 117.41 2kwc h ASP 45 Ca -0.37 -0.72 -0.05 0.00 0.43 0.00 0.00 57.03 56.32 2kwc h ASP 45 Cb 1.31 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 40.08 2kwc h ASP 45 CO 0.59 0.80 0.07 2.29 -1.57 0.00 0.00 179.24 181.41 2kwc n LYS 46 N -4.69 0.44 -4.02 3.56 0.00 -1.26 -5.13 118.16 107.05 2kwc n LYS 46 Ca -0.08 -1.06 -0.31 0.00 -0.00 0.00 0.00 58.31 56.86 2kwc n LYS 46 Cb 0.36 1.21 -0.15 0.00 -0.00 0.00 0.00 35.03 36.45 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 -2.13 1.72 -0.29 -1.58 3.03 -1.26 -5.00 118.95 113.43 2kwc s ARG 47 Ca 0.09 -1.62 -0.02 0.00 2.03 0.00 0.00 55.73 56.20 2kwc s ARG 47 Cb -0.02 -3.02 0.18 0.00 -1.03 0.00 0.00 34.95 31.06 2kwc s ARG 47 CO 0.06 -0.80 0.57 0.21 -1.13 0.00 0.00 175.30 174.22 2kwc s LYS 48 N 1.02 0.54 -0.34 3.89 2.20 -1.26 -4.72 119.74 121.07 2kwc s LYS 48 Ca 0.03 1.00 -0.01 0.00 -0.36 0.00 0.00 55.97 56.63 2kwc s LYS 48 Cb -0.19 0.46 0.12 0.00 -1.51 0.00 0.00 37.83 36.71 2kwc s LYS 48 CO -0.08 -0.57 0.17 0.71 -0.36 0.00 0.00 175.35 175.22 2kwc s TYR 49 N 2.82 0.99 -0.84 4.03 1.51 -0.93 -5.01 117.35 119.92 2kwc s TYR 49 Ca 0.17 -1.55 -0.20 0.00 -1.01 0.00 0.00 57.07 54.48 2kwc s TYR 49 Cb -0.15 -1.22 0.11 0.00 -0.11 0.00 0.00 41.96 40.59 2kwc s TYR 49 CO -0.20 -0.83 1.09 -1.17 -1.11 0.00 0.00 175.55 173.32 2kwc s LEU 50 N 1.38 4.75 0.16 -1.29 1.98 -1.26 -1.83 118.68 122.57 2kwc s LEU 50 Ca 0.14 -1.66 0.08 0.00 -2.89 0.00 0.00 54.13 49.80 2kwc s LEU 50 Cb -0.20 -2.41 -0.04 0.00 0.66 0.00 0.00 46.19 44.20 2kwc s LEU 50 CO -0.16 -1.22 -0.04 0.68 -1.89 0.00 0.00 176.35 173.73 2kwc s VAL 51 N 3.27 3.56 0.98 1.68 -7.23 -1.09 -4.88 120.40 116.68 2kwc s VAL 51 Ca 0.30 -1.44 -0.14 0.00 -1.81 0.00 0.00 61.98 58.89 2kwc s VAL 51 Cb -0.09 -2.76 0.18 0.00 0.56 0.00 0.00 36.38 34.27 2kwc s VAL 51 CO -0.03 -0.07 1.17 -2.16 -0.31 0.00 0.00 175.10 173.70 2kwc s PRO 52 N -2.78 0.59 -0.11 4.82 0.04 -1.26 0.19 135.00 136.48 2kwc s PRO 52 Ca 0.26 0.08 0.08 0.00 0.04 0.00 0.00 61.00 61.45 2kwc s PRO 52 Cb -0.10 -1.79 0.42 0.00 0.04 0.00 0.00 34.50 33.07 2kwc s PRO 52 CO 0.17 -2.53 1.16 0.00 0.04 0.00 0.00 177.00 175.84 2kwc n ALA 53 N -3.96 3.15 -0.22 8.56 0.00 -0.95 -3.21 120.51 123.88 2kwc n ALA 53 Ca 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2kwc n ALA 53 Cb 0.59 -1.06 0.00 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 0.35 0.93 -4.91 0.00 8.00 -1.26 -4.31 116.55 115.34 2kwc n ASP 54 Ca 0.14 -1.15 -0.28 0.00 0.71 0.00 0.00 54.79 54.21 2kwc n ASP 54 Cb 0.70 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.78 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 4.03 0.26 0.64 0.20 -1.20 -4.97 118.68 117.50 2kwc s LEU 55 Ca 0.00 0.70 0.07 0.00 0.69 0.00 0.00 54.13 55.59 2kwc s LEU 55 Cb 0.00 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.20 2kwc s LEU 55 CO 0.00 -0.23 0.23 0.42 -0.29 0.00 0.00 176.35 176.49 2kwc s THR 56 N -2.14 4.42 0.26 3.68 -4.23 -1.26 -1.11 115.64 115.25 2kwc s THR 56 Ca 0.44 -1.35 -0.02 0.00 -1.18 0.00 0.00 61.69 59.58 2kwc s THR 56 Cb -0.11 -3.43 0.24 0.00 1.34 0.00 0.00 72.50 70.54 2kwc s THR 56 CO 0.31 -0.32 1.73 0.58 -0.54 0.00 0.00 174.62 176.38 2kwc h VAL 57 N 1.41 0.65 -0.38 2.29 2.07 -0.80 -2.13 116.25 119.37 2kwc h VAL 57 Ca -0.48 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 66.91 2kwc h VAL 57 Cb 1.24 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 2kwc h VAL 57 CO 0.60 0.09 -0.37 1.23 0.02 0.00 0.00 177.57 179.14 2kwc h GLY 58 N 0.49 -1.38 -0.52 2.17 0.00 -1.39 0.35 103.07 102.78 2kwc h GLY 58 Ca 0.45 0.81 0.19 0.00 0.00 0.00 0.00 47.33 48.78 2kwc h GLY 58 CO -0.41 -0.33 -0.03 1.46 0.00 0.00 0.00 176.54 177.23 2kwc h GLN 59 N -0.19 0.07 -0.94 4.80 1.08 -1.65 0.61 115.11 118.89 2kwc h GLN 59 Ca 0.06 -0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2kwc h GLN 59 Cb 0.36 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 2kwc h GLN 59 CO -0.46 0.04 0.62 0.35 -0.95 0.00 0.00 178.83 178.44 2kwc h PHE 60 N 0.07 1.17 0.00 2.96 3.57 -0.69 0.12 116.94 124.14 2kwc h PHE 60 Ca 0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.97 2kwc h PHE 60 Cb 0.79 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2kwc h PHE 60 CO -0.48 0.72 0.00 0.28 -2.23 0.00 0.00 178.31 176.60 2kwc h VAL 61 N 1.24 0.00 0.06 1.41 2.07 0.40 -1.43 116.25 120.00 2kwc h VAL 61 Ca 0.35 -0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.63 2kwc h VAL 61 Cb -0.10 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2kwc h VAL 61 CO -0.09 0.00 -1.26 0.22 0.02 0.00 0.00 177.57 176.46 2kwc h TYR 62 N 0.00 0.24 -0.92 1.57 3.20 -0.11 -2.94 116.97 118.02 2kwc h TYR 62 Ca 0.00 -0.18 0.09 0.00 3.14 0.00 0.00 58.73 61.78 2kwc h TYR 62 Cb 0.00 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 2kwc h TYR 62 CO 0.00 1.49 0.59 0.28 -1.64 0.00 0.00 178.16 178.88 2kwc h VAL 63 N -0.59 0.99 -0.13 1.81 2.07 -0.72 -1.14 116.25 118.54 2kwc h VAL 63 Ca -0.30 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 2kwc h VAL 63 Cb 1.54 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2kwc h VAL 63 CO -0.04 0.17 -0.10 0.40 0.02 0.00 0.00 177.57 178.02 2kwc h ILE 64 N 0.94 1.34 0.00 4.57 5.03 -1.49 -2.51 117.51 125.39 2kwc h ILE 64 Ca 0.42 -1.21 0.00 0.00 -0.12 0.00 0.00 64.86 63.95 2kwc h ILE 64 Cb 0.36 1.85 0.00 0.00 -3.03 0.00 0.00 36.82 36.01 2kwc h ILE 64 CO -0.18 0.35 0.27 -0.09 -0.68 0.00 0.00 178.15 177.82 2kwc h ARG 65 N -0.07 0.00 0.00 2.37 2.43 -1.05 0.66 114.38 118.71 2kwc h ARG 65 Ca 0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2kwc h ARG 65 Cb 0.60 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2kwc h ARG 65 CO 0.03 0.00 -0.02 0.87 -1.51 0.00 0.00 179.97 179.33 2kwc h LYS 66 N 0.00 0.00 -0.43 0.20 6.56 -0.88 1.52 116.57 123.55 2kwc h LYS 66 Ca 0.00 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.71 2kwc h LYS 66 Cb 0.54 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.18 2kwc h LYS 66 CO 0.00 0.95 0.39 0.00 -2.06 0.00 0.00 179.45 178.73 2kwc h ARG 67 N -1.00 0.00 0.00 3.15 2.47 -0.68 0.20 114.38 118.52 2kwc h ARG 67 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2kwc h ARG 67 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 2kwc h ARG 67 CO -0.00 0.00 -1.12 0.44 0.56 0.00 0.00 179.97 179.85 2kwc n ILE 68 N -3.95 0.00 -4.25 2.04 -5.35 -0.84 -4.70 119.36 102.30 2kwc n ILE 68 Ca 0.08 -0.25 -0.31 0.00 -0.27 0.00 0.00 62.75 62.00 2kwc n ILE 68 Cb 0.58 0.59 -0.08 0.00 -1.74 0.00 0.00 39.64 38.98 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 -1.64 -1.29 -0.92 6.28 0.00 0.52 -4.87 117.12 115.20 2kwc n MET 69 Ca -0.00 0.14 -0.31 0.00 0.00 0.00 0.00 57.70 57.53 2kwc n MET 69 Cb 0.27 -3.69 0.15 0.00 0.00 0.00 0.00 33.22 29.95 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 -7.32 2.66 0.70 3.17 1.43 -0.92 -5.00 118.68 113.40 2kwc s LEU 70 Ca 0.02 1.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 2kwc s LEU 70 Cb -0.01 -4.38 0.01 0.00 0.03 0.00 0.00 46.19 41.85 2kwc s LEU 70 CO 0.98 -2.81 1.06 -2.16 0.23 0.00 0.00 176.35 173.65 2kwc s PRO 71 N -4.75 2.87 0.00 1.29 0.04 -1.26 -4.93 135.00 128.27 2kwc s PRO 71 Ca 0.65 0.93 0.23 0.00 0.04 0.00 0.00 61.00 62.85 2kwc s PRO 71 Cb -0.21 -1.98 1.40 0.00 0.04 0.00 0.00 34.50 33.75 2kwc s PRO 71 CO 0.58 -1.14 1.77 -0.35 0.04 0.00 0.00 177.00 177.90 2kwc n PRO 72 N -3.15 0.75 0.00 0.56 -0.04 -1.26 -2.21 135.00 129.65 2kwc n PRO 72 Ca 0.07 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2kwc n PRO 72 Cb 0.54 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.65 -2.18 0.54 0.28 -1.26 -4.96 120.64 112.73 2kwc n GLU 73 Ca 0.18 -0.14 -0.26 0.00 -0.16 0.00 0.00 57.16 56.77 2kwc n GLU 73 Cb 0.08 -1.57 0.10 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 -3.44 1.84 -0.17 3.44 1.02 -0.94 -5.09 119.74 116.40 2kwc s LYS 74 Ca -0.07 -0.36 -0.04 0.00 0.02 0.00 0.00 55.97 55.52 2kwc s LYS 74 Cb 0.13 -2.11 0.08 0.00 -0.52 0.00 0.00 37.83 35.40 2kwc s LYS 74 CO 0.89 -1.50 0.17 0.00 -0.92 0.00 0.00 175.35 173.99 2kwc s ALA 75 N -3.37 -0.04 0.20 5.17 0.00 -1.26 -4.93 121.76 117.53 2kwc s ALA 75 Ca 0.63 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.78 2kwc s ALA 75 Cb -0.09 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2kwc s ALA 75 CO 0.46 -1.09 0.23 -1.50 0.00 0.00 0.00 175.76 173.87 2kwc s ILE 76 N 2.26 4.85 0.19 0.00 2.07 -1.26 -4.08 121.20 125.23 2kwc s ILE 76 Ca 0.05 -1.04 0.00 0.00 -1.41 0.00 0.00 60.65 58.25 2kwc s ILE 76 Cb -0.15 -3.55 -0.04 0.00 0.13 0.00 0.00 42.46 38.84 2kwc s ILE 76 CO -0.10 -0.21 0.07 -0.36 -1.91 0.00 0.00 174.94 172.43 2kwc s PHE 77 N -1.89 1.21 -0.06 3.50 0.40 0.14 -4.96 117.98 116.32 2kwc s PHE 77 Ca 0.33 -1.20 0.05 0.00 -0.60 0.00 0.00 56.93 55.50 2kwc s PHE 77 Cb -0.10 -0.67 -0.00 0.00 0.51 0.00 0.00 43.02 42.76 2kwc s PHE 77 CO 0.26 -0.42 -0.20 0.42 0.70 0.00 0.00 175.22 175.99 2kwc s ILE 78 N -3.89 1.66 0.15 0.64 -1.09 -1.26 -0.85 121.20 116.56 2kwc s ILE 78 Ca 0.31 -0.83 0.11 0.00 -2.23 0.00 0.00 60.65 58.01 2kwc s ILE 78 Cb 0.07 -1.43 -0.04 0.00 -1.58 0.00 0.00 42.46 39.48 2kwc s ILE 78 CO 0.08 0.47 -0.25 -0.36 -1.23 0.00 0.00 174.94 173.65 2kwc s PHE 79 N 0.10 2.21 -0.10 3.97 0.08 -0.02 -4.02 117.98 120.20 2kwc s PHE 79 Ca -0.07 -0.38 -0.04 0.00 0.12 0.00 0.00 56.93 56.55 2kwc s PHE 79 Cb -0.14 -1.16 0.05 0.00 -0.57 0.00 0.00 43.02 41.20 2kwc s PHE 79 CO 0.04 0.37 0.20 0.14 -0.10 0.00 0.00 175.22 175.87 2kwc s VAL 80 N -1.31 -0.26 -1.39 -0.44 -7.23 -0.90 -2.28 120.40 106.58 2kwc s VAL 80 Ca 0.15 0.28 -0.07 0.00 -1.81 0.00 0.00 61.98 60.53 2kwc s VAL 80 Cb -0.09 -0.35 0.01 0.00 0.56 0.00 0.00 36.38 36.51 2kwc s VAL 80 CO 0.07 0.12 0.99 0.59 -0.31 0.00 0.00 175.10 176.56 2kwc n ASN 81 N 5.06 -6.25 -2.71 4.85 3.02 -1.26 -1.38 115.26 116.61 2kwc n ASN 81 Ca -0.10 -0.45 -0.18 0.00 -0.03 0.00 0.00 54.58 53.81 2kwc n ASN 81 Cb 0.50 -4.93 0.05 0.00 -0.61 0.00 0.00 39.78 34.79 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 -2.77 -5.30 -2.26 6.41 8.00 -1.26 -5.00 116.55 114.37 2kwc n ASP 82 Ca -0.03 -0.35 -0.09 0.00 0.71 0.00 0.00 54.79 55.03 2kwc n ASP 82 Cb 0.58 -3.99 -0.03 0.00 -0.02 0.00 0.00 41.12 37.66 2kwc n ASP 82 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2kwc n THR 83 N -4.37 0.00 -3.46 -3.53 5.66 -0.48 -4.82 114.28 103.29 2kwc n THR 83 Ca -0.03 -0.93 -0.26 0.00 -3.05 0.00 0.00 64.05 59.78 2kwc n THR 83 Cb 0.56 0.37 -0.12 0.00 -1.55 0.00 0.00 70.33 69.60 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 0.60 0.69 1.09 0.20 -1.26 -2.12 118.68 117.88 2kwc s LEU 84 Ca 0.10 -1.77 -0.11 0.00 0.69 0.00 0.00 54.13 53.04 2kwc s LEU 84 Cb 0.00 -0.15 0.01 0.00 -0.43 0.00 0.00 46.19 45.62 2kwc s LEU 84 CO 0.07 -0.34 1.06 -2.16 -0.29 0.00 0.00 176.35 174.69 2kwc s PRO 85 N 1.47 2.95 0.82 0.98 0.04 -1.26 -5.03 135.00 134.97 2kwc s PRO 85 Ca 0.15 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 2kwc s PRO 85 Cb -0.19 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.44 2kwc s PRO 85 CO -0.11 -1.09 1.11 -1.25 0.04 0.00 0.00 177.00 175.70 2kwc s PRO 86 N -5.03 1.89 0.16 0.56 0.04 -1.26 -4.90 135.00 126.46 2kwc s PRO 86 Ca 0.58 0.56 0.27 0.00 0.04 0.00 0.00 61.00 62.45 2kwc s PRO 86 Cb -0.14 -1.90 0.89 0.00 0.04 0.00 0.00 34.50 33.39 2kwc s PRO 86 CO 0.55 -1.74 1.80 -2.37 0.04 0.00 0.00 177.00 175.28 2kwc n THR 87 N -3.50 0.47 0.03 1.26 5.66 -1.26 -3.02 114.28 113.92 2kwc n THR 87 Ca 0.07 -0.23 -0.05 0.00 -3.05 0.00 0.00 64.05 60.79 2kwc n THR 87 Cb 0.57 -0.56 -0.11 0.00 -1.55 0.00 0.00 70.33 68.68 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 2.62 0.60 -1.41 1.79 0.00 -1.94 -0.80 119.26 120.11 2kwc h ALA 88 Ca 0.00 -1.06 -0.66 0.00 0.00 0.00 0.00 54.91 53.19 2kwc h ALA 88 Cb 0.69 0.17 0.10 0.00 0.00 0.00 0.00 17.79 18.74 2kwc h ALA 88 CO 0.00 1.26 -0.16 0.00 0.00 0.00 0.00 179.25 180.36 2kwc n ALA 89 N -2.42 -1.82 -2.32 0.00 0.00 -1.17 -4.61 120.51 108.17 2kwc n ALA 89 Ca -0.08 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 2kwc n ALA 89 Cb 0.94 -1.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 1.61 4.49 0.00 0.00 2.96 -1.26 -0.61 118.68 125.87 2kwc s LEU 90 Ca 0.66 1.29 0.11 0.00 -0.22 0.00 0.00 54.13 55.97 2kwc s LEU 90 Cb -0.88 -2.98 0.51 0.00 0.50 0.00 0.00 46.19 43.35 2kwc s LEU 90 CO 0.57 0.18 1.32 0.23 -1.32 0.00 0.00 176.35 177.33 2kwc n MET 91 N 2.15 0.07 0.01 1.98 2.81 -0.27 -0.39 117.12 123.49 2kwc n MET 91 Ca -0.08 0.26 -0.22 0.00 -1.81 0.00 0.00 57.70 55.85 2kwc n MET 91 Cb 0.51 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.38 2kwc n MET 91 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kwc h SER 92 N 0.00 0.43 0.64 7.83 4.64 -1.79 -2.98 113.55 122.33 2kwc h SER 92 Ca 0.00 -0.94 -0.27 0.00 -0.47 0.00 0.00 61.79 60.11 2kwc h SER 92 Cb 0.16 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2kwc h SER 92 CO 0.00 1.83 -1.24 0.00 -0.87 0.00 0.00 176.83 176.55 2kwc h ALA 93 N 0.05 0.10 0.64 5.18 0.00 -1.75 -2.27 119.26 121.22 2kwc h ALA 93 Ca -0.41 -0.89 -0.03 0.00 0.00 0.00 0.00 54.91 53.58 2kwc h ALA 93 Cb 2.01 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.81 2kwc h ALA 93 CO 0.09 0.98 -0.31 0.82 0.00 0.00 0.00 179.25 180.84 2kwc h ILE 94 N 0.07 0.00 -0.02 0.00 1.08 -0.88 -2.72 117.51 115.04 2kwc h ILE 94 Ca -0.13 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 2kwc h ILE 94 Cb 1.97 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 2kwc h ILE 94 CO 0.20 0.00 0.03 0.22 -0.69 0.00 0.00 178.15 177.91 2kwc h TYR 95 N -1.09 0.00 -0.46 1.37 5.03 -1.66 1.13 116.97 121.29 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 0.66 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.92 2kwc h TYR 95 CO 0.02 0.00 0.01 1.96 -1.32 0.00 0.00 178.16 178.83 2kwc h GLN 96 N 0.00 0.75 -0.01 1.82 4.20 -1.20 1.43 115.11 122.10 2kwc h GLN 96 Ca 0.01 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2kwc h GLN 96 Cb 0.06 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2kwc h GLN 96 CO -0.00 0.76 -0.03 0.39 -0.67 0.00 0.00 178.83 179.27 2kwc n GLU 97 N -4.23 0.75 0.00 1.46 1.02 -0.21 -4.36 120.64 115.07 2kwc n GLU 97 Ca 0.02 -1.08 0.03 0.00 -0.02 0.00 0.00 57.16 56.12 2kwc n GLU 97 Cb 0.29 -1.19 -0.02 0.00 -0.02 0.00 0.00 31.44 30.50 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 0.49 0.00 -1.58 -0.32 8.25 0.37 -5.03 115.22 117.41 2kwc n HIS 98 Ca 0.06 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.08 2kwc n HIS 98 Cb 0.27 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.69 1.30 -2.87 -0.41 0.00 0.49 -4.63 118.16 111.35 2kwc n LYS 99 Ca 0.02 0.46 -0.21 0.00 0.00 0.00 0.00 58.31 58.57 2kwc n LYS 99 Cb 0.12 -1.83 0.09 0.00 0.00 0.00 0.00 35.03 33.42 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 -0.59 4.68 0.47 3.14 3.68 -0.83 -4.97 116.67 122.25 2kwc s ASP 100 Ca 0.59 -0.75 0.27 0.00 2.13 0.00 0.00 52.55 54.79 2kwc s ASP 100 Cb -0.69 0.36 0.92 0.00 -1.45 0.00 0.00 42.92 42.05 2kwc s ASP 100 CO 0.60 -1.66 1.82 0.11 0.13 0.00 0.00 175.17 176.17 2kwc h LYS 101 N -0.18 0.00 -0.59 4.34 1.57 -1.94 -2.15 116.57 117.62 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 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2kwc h LYS 101 CO 0.39 0.12 0.00 -0.40 -0.57 0.00 0.00 179.45 178.99 2kwc n ASP 102 N -3.21 2.91 0.00 0.86 3.85 -1.26 -4.92 116.55 114.79 2kwc n ASP 102 Ca 0.01 -2.26 0.00 0.00 -0.71 0.00 0.00 54.79 51.83 2kwc n ASP 102 Cb 0.42 -0.44 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 2kwc n ASP 102 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2kwc n GLY 103 N 0.74 1.20 1.77 6.12 0.00 -0.81 -4.43 105.19 109.77 2kwc n GLY 103 Ca 0.14 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.07 -4.46 1.61 3.01 -1.26 -3.89 117.46 110.41 2kwc n PHE 104 Ca 0.00 -0.10 -0.24 0.00 1.01 0.00 0.00 57.45 58.12 2kwc n PHE 104 Cb 0.00 -0.77 -0.10 0.00 -0.01 0.00 0.00 39.48 38.60 2kwc n PHE 104 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 2kwc s LEU 105 N 0.00 2.57 -0.30 4.37 2.96 -1.25 -1.96 118.68 125.06 2kwc s LEU 105 Ca 0.23 -1.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.13 2kwc s LEU 105 Cb -0.04 -1.09 0.09 0.00 0.50 0.00 0.00 46.19 45.65 2kwc s LEU 105 CO 0.19 0.04 0.07 -0.72 -1.32 0.00 0.00 176.35 174.61 2kwc s TYR 106 N -2.42 2.16 0.10 5.38 1.13 -1.26 -2.20 117.35 120.24 2kwc s TYR 106 Ca 0.29 -1.96 0.05 0.00 -1.41 0.00 0.00 57.07 54.04 2kwc s TYR 106 Cb -0.05 -1.92 -0.03 0.00 -1.10 0.00 0.00 41.96 38.85 2kwc s TYR 106 CO 0.14 -0.87 -0.13 0.54 -2.51 0.00 0.00 175.55 172.72 2kwc s VAL 107 N 1.46 1.20 -0.02 -3.49 0.11 -1.19 -4.51 120.40 113.95 2kwc s VAL 107 Ca 0.08 -1.59 0.00 0.00 -2.93 0.00 0.00 61.98 57.54 2kwc s VAL 107 Cb -0.18 -1.37 0.02 0.00 -1.53 0.00 0.00 36.38 33.32 2kwc s VAL 107 CO -0.19 -0.39 0.00 -0.89 -3.33 0.00 0.00 175.10 170.30 2kwc s THR 108 N -1.96 0.11 0.02 5.04 2.01 -0.97 0.18 115.64 120.07 2kwc s THR 108 Ca 0.05 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 2kwc s THR 108 Cb -0.06 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 2kwc s THR 108 CO 0.02 0.10 0.16 -0.72 -0.69 0.00 0.00 174.62 173.49 2kwc s TYR 109 N 0.75 3.44 0.00 4.92 -0.85 -1.05 -0.84 117.35 123.72 2kwc s TYR 109 Ca -0.07 0.27 -0.00 0.00 -0.52 0.00 0.00 57.07 56.74 2kwc s TYR 109 Cb -0.10 -1.77 -0.01 0.00 0.38 0.00 0.00 41.96 40.47 2kwc s TYR 109 CO -0.02 0.60 -0.00 -1.12 -1.52 0.00 0.00 175.55 173.49 2kwc s SER 110 N -2.09 0.07 0.00 -0.18 0.01 -0.03 -3.26 113.70 108.23 2kwc s SER 110 Ca 0.28 -0.16 0.11 0.00 1.31 0.00 0.00 55.95 57.50 2kwc s SER 110 Cb -0.13 0.05 0.52 0.00 0.21 0.00 0.00 66.02 66.67 2kwc s SER 110 CO 0.20 -0.11 1.31 0.61 0.41 0.00 0.00 173.24 175.66 2kwc n GLY 111 N 2.56 -0.77 3.86 3.44 0.00 -1.26 0.27 105.19 113.29 2kwc n GLY 111 Ca -0.16 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.79 2.72 -1.02 1.61 2.56 -1.26 -4.34 118.70 116.19 2kwc s GLU 112 Ca 0.08 -1.31 -0.01 0.00 0.00 0.00 0.00 54.97 53.73 2kwc s GLU 112 Cb 0.07 -2.48 0.32 0.00 2.00 0.00 0.00 34.13 34.04 2kwc s GLU 112 CO 0.19 0.06 1.69 -1.71 -0.56 0.00 0.00 175.26 174.93 2kwc n ASN 113 N -1.40 6.95 -4.58 -1.70 2.85 -1.26 -4.24 115.26 111.87 2kwc n ASN 113 Ca -0.01 -3.62 -0.32 0.00 -0.11 0.00 0.00 54.58 50.52 2kwc n ASN 113 Cb 0.60 -1.16 -0.07 0.00 1.24 0.00 0.00 39.78 40.39 2kwc n ASN 113 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2kwc n THR 114 N 0.28 0.00 0.68 -0.44 -2.24 -1.26 -5.05 114.28 106.25 2kwc n THR 114 Ca 0.41 -2.36 0.08 0.00 -2.27 0.00 0.00 64.05 59.91 2kwc n THR 114 Cb 0.29 0.49 0.03 0.00 -2.10 0.00 0.00 70.33 69.04 2kwc n THR 114 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2kwc n PHE 115 N -1.22 0.00 0.00 4.78 3.01 -1.26 -4.84 117.46 117.92 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 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.10 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18