#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 0.11 -3.78 0.03 2.85 -1.26 -5.00 118.16 111.11 2kwc n LYS 2 Ca 0.00 0.05 -0.14 0.00 -1.05 0.00 0.00 58.31 57.17 2kwc n LYS 2 Cb 0.00 -0.73 -0.15 0.00 -0.65 0.00 0.00 35.03 33.50 2kwc n LYS 2 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2kwc s SER 3 N -5.38 -0.02 0.22 -5.58 1.04 -1.26 -4.93 113.70 97.78 2kwc s SER 3 Ca -0.07 0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.46 2kwc s SER 3 Cb 0.03 0.06 0.19 0.00 0.10 0.00 0.00 66.02 66.41 2kwc s SER 3 CO 0.10 -0.11 1.65 0.71 0.98 0.00 0.00 173.24 176.57 2kwc h THR 4 N 5.91 1.26 -0.87 2.02 1.35 -1.99 -2.69 112.91 117.90 2kwc h THR 4 Ca -0.40 -1.25 0.25 0.00 -0.55 0.00 0.00 66.41 64.47 2kwc h THR 4 Cb 1.15 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 68.62 2kwc h THR 4 CO 0.46 0.43 0.94 -0.26 -0.25 0.00 0.00 175.52 176.84 2kwc h PHE 5 N 0.74 0.00 -0.31 4.73 0.04 -1.93 1.37 116.94 121.58 2kwc h PHE 5 Ca 0.12 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 2kwc h PHE 5 Cb 0.66 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 2kwc h PHE 5 CO 0.04 0.00 0.06 -0.22 -0.60 0.00 0.00 178.31 177.59 2kwc h LYS 6 N 0.00 0.50 0.00 1.51 3.11 -1.63 -2.60 116.57 117.46 2kwc h LYS 6 Ca 0.41 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 58.12 2kwc h LYS 6 Cb 2.29 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 33.46 2kwc h LYS 6 CO -0.00 0.59 -0.68 0.43 -2.81 0.00 0.00 179.45 176.97 2kwc n SER 7 N -4.64 1.34 -0.43 4.20 7.64 0.38 -4.45 113.62 117.66 2kwc n SER 7 Ca -0.02 0.24 0.38 0.00 1.01 0.00 0.00 58.87 60.47 2kwc n SER 7 Cb 0.20 -0.67 0.65 0.00 -1.01 0.00 0.00 64.21 63.38 2kwc n SER 7 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kwc n GLU 8 N -3.86 -0.04 -4.33 1.43 -0.58 0.37 -4.37 120.64 109.26 2kwc n GLU 8 Ca -0.10 1.27 -0.20 0.00 -0.42 0.00 0.00 57.16 57.72 2kwc n GLU 8 Cb 0.35 -2.44 -0.11 0.00 -0.57 0.00 0.00 31.44 28.68 2kwc n GLU 8 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2kwc s TYR 9 N -5.30 1.73 0.77 -0.32 2.02 -0.98 -4.98 117.35 110.30 2kwc s TYR 9 Ca -0.08 -0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 55.98 2kwc s TYR 9 Cb 0.31 -0.83 0.06 0.00 -0.40 0.00 0.00 41.96 41.09 2kwc s TYR 9 CO 0.80 0.33 1.09 -1.25 -1.57 0.00 0.00 175.55 174.95 2kwc s PRO 10 N -3.21 2.28 0.47 -1.71 0.04 -1.26 -4.15 135.00 127.47 2kwc s PRO 10 Ca 0.19 0.71 0.27 0.00 0.04 0.00 0.00 61.00 62.20 2kwc s PRO 10 Cb -0.03 -1.93 0.76 0.00 0.04 0.00 0.00 34.50 33.33 2kwc s PRO 10 CO 0.06 -1.50 1.76 0.35 0.04 0.00 0.00 177.00 177.71 2kwc h PHE 11 N -1.00 0.00 0.00 0.56 3.04 -1.85 -3.25 116.94 114.44 2kwc h PHE 11 Ca -0.46 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.48 2kwc h PHE 11 Cb 1.26 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.77 2kwc h PHE 11 CO 0.50 0.05 -0.01 1.49 -2.02 0.00 0.00 178.31 178.31 2kwc h GLU 12 N 0.00 0.01 -0.83 1.11 4.81 -1.98 -3.12 114.58 114.57 2kwc h GLU 12 Ca -0.00 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.36 2kwc h GLU 12 Cb 0.82 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.06 2kwc h GLU 12 CO 0.01 0.94 -0.35 0.87 -0.73 0.00 0.00 179.01 179.75 2kwc h LYS 13 N -0.93 -0.06 0.37 1.92 1.79 -1.95 0.30 116.57 118.00 2kwc h LYS 13 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kwc h LYS 13 Cb 0.95 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.58 2kwc h LYS 13 CO 0.00 -0.04 -0.51 0.00 -1.08 0.00 0.00 179.45 177.82 2kwc h ARG 14 N -0.06 -0.88 -1.21 3.15 2.47 -1.67 0.35 114.38 116.53 2kwc h ARG 14 Ca 0.32 0.06 0.35 0.00 -1.26 0.00 0.00 59.98 59.44 2kwc h ARG 14 Cb 0.59 0.20 -0.08 0.00 -1.65 0.00 0.00 29.97 29.02 2kwc h ARG 14 CO -0.86 -0.59 0.82 -0.22 0.56 0.00 0.00 179.97 179.68 2kwc h LYS 15 N -0.92 0.17 0.79 0.04 3.64 -0.90 0.13 116.57 119.52 2kwc h LYS 15 Ca -0.04 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2kwc h LYS 15 Cb 0.83 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2kwc h LYS 15 CO -0.14 0.11 -0.38 0.00 -2.27 0.00 0.00 179.45 176.77 2kwc h ALA 16 N 1.50 -1.08 -1.68 5.00 0.00 0.15 -0.29 119.26 122.88 2kwc h ALA 16 Ca 0.65 -0.23 0.52 0.00 0.00 0.00 0.00 54.91 55.85 2kwc h ALA 16 Cb 2.14 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 20.24 2kwc h ALA 16 CO -0.21 -1.00 1.16 -1.91 0.00 0.00 0.00 179.25 177.30 2kwc n GLU 17 N -5.44 -0.01 -0.06 0.00 4.07 0.43 0.12 120.64 119.75 2kwc n GLU 17 Ca -0.13 1.12 -0.11 0.00 -0.06 0.00 0.00 57.16 57.98 2kwc n GLU 17 Cb 0.42 -2.41 -0.10 0.00 -0.06 0.00 0.00 31.44 29.29 2kwc n GLU 17 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2kwc h SER 18 N 0.00 -0.01 -1.36 4.31 0.87 -1.09 -2.59 113.55 113.68 2kwc h SER 18 Ca 0.89 -0.75 0.40 0.00 -1.23 0.00 0.00 61.79 61.10 2kwc h SER 18 Cb 3.28 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 65.17 2kwc h SER 18 CO -0.20 0.85 0.95 -0.33 -0.53 0.00 0.00 176.83 177.57 2kwc h GLU 19 N -0.98 0.07 0.13 2.24 4.39 0.27 0.68 114.58 121.39 2kwc h GLU 19 Ca -0.00 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.51 2kwc h GLU 19 Cb 0.76 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.41 2kwc h GLU 19 CO 0.00 0.05 -0.80 0.00 -1.16 0.00 0.00 179.01 177.10 2kwc h ARG 20 N 0.07 0.28 0.00 2.33 3.08 -1.18 -2.52 114.38 116.45 2kwc h ARG 20 Ca 0.69 -0.49 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 2kwc h ARG 20 Cb 2.53 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 32.76 2kwc h ARG 20 CO -0.11 1.23 -0.02 0.82 -1.07 0.00 0.00 179.97 180.83 2kwc h ILE 21 N -0.40 0.50 0.19 2.04 2.04 0.54 -0.17 117.51 122.26 2kwc h ILE 21 Ca -0.14 -0.07 -0.31 0.00 1.00 0.00 0.00 64.86 65.33 2kwc h ILE 21 Cb 1.62 1.04 0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2kwc h ILE 21 CO 0.14 0.02 -1.43 0.00 0.00 0.00 0.00 178.15 176.88 2kwc h ALA 22 N 1.98 -0.01 -0.34 1.87 0.00 -0.29 0.43 119.26 122.91 2kwc h ALA 22 Ca -0.00 -0.91 0.01 0.00 0.00 0.00 0.00 54.91 54.00 2kwc h ALA 22 Cb 0.04 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2kwc h ALA 22 CO 0.00 0.86 0.22 0.22 0.00 0.00 0.00 179.25 180.55 2kwc h ASP 23 N 0.11 0.37 0.16 0.00 1.82 -0.61 0.83 116.42 119.10 2kwc h ASP 23 Ca -0.22 -0.01 -0.21 0.00 -0.39 0.00 0.00 57.03 56.20 2kwc h ASP 23 Cb 2.09 -0.09 0.02 0.00 0.68 0.00 0.00 39.33 42.03 2kwc h ASP 23 CO 0.23 0.27 -0.95 -0.09 -1.61 0.00 0.00 179.24 177.10 2kwc h ARG 24 N 0.45 0.33 -2.54 0.28 1.12 -1.35 -3.41 114.38 109.26 2kwc h ARG 24 Ca 0.13 -0.56 -0.60 0.00 -1.11 0.00 0.00 59.98 57.84 2kwc h ARG 24 Cb -0.04 0.21 -0.40 0.00 -0.01 0.00 0.00 29.97 29.74 2kwc h ARG 24 CO -0.04 1.27 -0.84 1.19 -3.11 0.00 0.00 179.97 178.44 2kwc n PHE 25 N -4.06 0.70 1.51 2.20 3.72 0.15 -4.91 117.46 116.77 2kwc n PHE 25 Ca -0.15 -3.69 0.12 0.00 -0.05 0.00 0.00 57.45 53.68 2kwc n PHE 25 Cb 0.87 -0.12 0.72 0.00 -0.94 0.00 0.00 39.48 40.00 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 2.30 0.75 -0.48 -1.08 -0.04 0.29 -2.08 135.00 134.67 2kwc n PRO 26 Ca 0.26 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.80 2kwc n PRO 26 Cb 0.44 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.67 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 4.06 -4.27 3.54 4.13 -1.26 -4.98 115.26 115.48 2kwc n ASN 27 Ca 0.18 -2.74 -0.23 0.00 1.68 0.00 0.00 54.58 53.47 2kwc n ASN 27 Cb 0.08 -0.51 -0.02 0.00 -1.54 0.00 0.00 39.78 37.80 2kwc n ASN 27 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kwc n ARG 28 N 0.04 0.88 -3.35 3.52 5.12 -0.88 -3.14 116.66 118.85 2kwc n ARG 28 Ca 0.21 -2.87 -0.15 0.00 -1.93 0.00 0.00 57.85 53.11 2kwc n ARG 28 Cb 0.84 0.46 -0.07 0.00 -1.16 0.00 0.00 32.46 32.53 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 -0.42 -0.75 0.55 1.01 0.47 -4.74 121.20 115.01 2kwc s ILE 29 Ca 0.18 -0.75 -0.26 0.00 0.00 0.00 0.00 60.65 59.82 2kwc s ILE 29 Cb -0.01 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.72 2kwc s ILE 29 CO 0.11 -0.49 1.60 -2.16 0.00 0.00 0.00 174.94 174.00 2kwc s PRO 30 N 1.78 2.96 -0.19 2.79 0.04 -1.26 -2.19 135.00 138.94 2kwc s PRO 30 Ca 0.14 -0.04 -0.15 0.00 0.04 0.00 0.00 61.00 60.99 2kwc s PRO 30 Cb -0.14 -4.51 -0.04 0.00 0.04 0.00 0.00 34.50 29.85 2kwc s PRO 30 CO -0.13 -2.52 0.37 0.08 0.04 0.00 0.00 177.00 174.84 2kwc s VAL 31 N 7.40 5.23 -0.79 -0.36 1.01 0.73 -3.61 120.40 130.01 2kwc s VAL 31 Ca 0.52 0.66 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 2kwc s VAL 31 Cb -0.09 -3.70 0.19 0.00 0.00 0.00 0.00 36.38 32.79 2kwc s VAL 31 CO 0.12 0.29 0.78 -0.63 0.00 0.00 0.00 175.10 175.67 2kwc s ILE 32 N 1.05 5.41 0.30 2.22 -1.09 0.38 -2.04 121.20 127.41 2kwc s ILE 32 Ca 0.18 -2.15 -0.01 0.00 -2.23 0.00 0.00 60.65 56.44 2kwc s ILE 32 Cb -0.14 -4.50 -0.04 0.00 -1.58 0.00 0.00 42.46 36.20 2kwc s ILE 32 CO 0.07 -1.08 0.51 0.00 -1.23 0.00 0.00 174.94 173.21 2kwc s GLU 34 N -3.89 1.51 -0.17 0.00 -1.05 -0.75 -4.60 118.70 109.76 2kwc s GLU 34 Ca 0.40 -1.84 -0.09 0.00 -0.15 0.00 0.00 54.97 53.30 2kwc s GLU 34 Cb -0.10 -0.41 -0.05 0.00 -0.44 0.00 0.00 34.13 33.13 2kwc s GLU 34 CO 0.33 -0.29 0.13 0.21 0.95 0.00 0.00 175.26 176.58 2kwc s LYS 35 N -3.96 3.87 -0.24 -4.83 2.36 -1.26 -2.59 119.74 113.08 2kwc s LYS 35 Ca 0.37 -0.19 -0.28 0.00 -2.55 0.00 0.00 55.97 53.31 2kwc s LYS 35 Cb 0.07 -3.32 -0.04 0.00 -1.05 0.00 0.00 37.83 33.50 2kwc s LYS 35 CO 0.15 0.50 1.95 0.00 1.55 0.00 0.00 175.35 179.49 2kwc s ALA 36 N -0.21 2.92 0.37 3.13 0.00 -1.02 -4.83 121.76 122.12 2kwc s ALA 36 Ca 0.11 0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.72 2kwc s ALA 36 Cb -0.11 -4.00 0.80 0.00 0.00 0.00 0.00 23.12 19.80 2kwc s ALA 36 CO 0.01 -2.52 1.93 1.05 0.00 0.00 0.00 175.76 176.22 2kwc h GLU 37 N 13.26 0.68 -0.41 0.00 4.11 -1.94 0.31 114.58 130.59 2kwc h GLU 37 Ca -0.38 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 58.88 2kwc h GLU 37 Cb 1.20 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2kwc h GLU 37 CO 0.99 0.45 -0.26 0.87 0.07 0.00 0.00 179.01 181.13 2kwc h LYS 38 N 0.70 0.86 -6.10 1.06 1.57 -1.99 -3.45 116.57 109.23 2kwc h LYS 38 Ca 0.36 -0.38 -0.29 0.00 -1.87 0.00 0.00 60.65 58.47 2kwc h LYS 38 Cb 0.46 -0.02 0.16 0.00 0.08 0.00 0.00 32.23 32.90 2kwc h LYS 38 CO -0.13 1.02 -0.75 -1.13 -0.57 0.00 0.00 179.45 177.89 2kwc n SER 39 N -4.09 -2.78 -0.25 0.86 3.41 0.10 -4.93 113.62 105.94 2kwc n SER 39 Ca -0.00 -0.25 0.08 0.00 -0.26 0.00 0.00 58.87 58.44 2kwc n SER 39 Cb 0.47 -0.76 0.13 0.00 -0.26 0.00 0.00 64.21 63.80 2kwc n SER 39 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kwc n ASP 40 N -0.44 1.94 -4.88 4.04 10.43 -1.26 -5.00 116.55 121.36 2kwc n ASP 40 Ca 0.03 -3.07 -0.30 0.00 2.57 0.00 0.00 54.79 54.02 2kwc n ASP 40 Cb 0.44 -0.42 -0.03 0.00 1.84 0.00 0.00 41.12 42.95 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2kwc s ILE 41 N -2.53 4.85 0.17 0.53 -4.36 -1.26 -5.04 121.20 113.55 2kwc s ILE 41 Ca 0.29 0.46 -0.30 0.00 -0.26 0.00 0.00 60.65 60.85 2kwc s ILE 41 Cb 0.27 -3.73 -0.07 0.00 1.25 0.00 0.00 42.46 40.17 2kwc s ILE 41 CO 0.00 -0.45 1.12 -2.16 0.24 0.00 0.00 174.94 173.70 2kwc s PRO 42 N -3.73 4.56 1.02 0.37 0.04 -1.26 -5.01 135.00 130.99 2kwc s PRO 42 Ca 0.49 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 63.14 2kwc s PRO 42 Cb -0.10 -3.28 0.12 0.00 0.04 0.00 0.00 34.50 31.28 2kwc s PRO 42 CO 0.30 0.01 0.59 -1.91 0.04 0.00 0.00 177.00 176.03 2kwc n GLU 43 N 2.55 -1.02 -4.23 4.56 2.13 -1.26 -4.82 120.64 118.55 2kwc n GLU 43 Ca 0.04 -0.26 -0.24 0.00 0.66 0.00 0.00 57.16 57.35 2kwc n GLU 43 Cb 0.46 -1.99 -0.08 0.00 0.27 0.00 0.00 31.44 30.10 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 -2.42 2.57 0.14 6.31 -4.36 -1.26 -4.84 121.20 117.34 2kwc s ILE 44 Ca 0.61 -1.82 -0.30 0.00 -0.26 0.00 0.00 60.65 58.87 2kwc s ILE 44 Cb -0.20 -2.91 -0.07 0.00 1.25 0.00 0.00 42.46 40.53 2kwc s ILE 44 CO 0.65 -0.12 1.56 -0.78 0.24 0.00 0.00 174.94 176.49 2kwc h ASP 45 N 1.62 -1.59 -0.72 4.36 -0.00 -1.96 -3.46 116.42 114.67 2kwc h ASP 45 Ca -0.43 0.21 0.00 0.00 -0.00 0.00 0.00 57.03 56.81 2kwc h ASP 45 Cb 1.25 0.65 0.00 0.00 -0.00 0.00 0.00 39.33 41.24 2kwc h ASP 45 CO 0.68 -0.42 0.00 2.29 -0.00 0.00 0.00 179.24 181.79 2kwc n LYS 46 N -5.42 0.00 -4.00 0.28 0.00 -1.26 -5.13 118.16 102.64 2kwc n LYS 46 Ca -0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.96 2kwc n LYS 46 Cb 0.36 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.24 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 -1.24 1.65 -0.29 -1.58 1.70 -1.26 -5.02 118.95 112.90 2kwc s ARG 47 Ca 0.00 -1.79 0.04 0.00 -0.47 0.00 0.00 55.73 53.50 2kwc s ARG 47 Cb 0.00 -3.21 0.19 0.00 -0.57 0.00 0.00 34.95 31.37 2kwc s ARG 47 CO 0.00 -0.90 0.58 0.21 -1.08 0.00 0.00 175.30 174.11 2kwc s LYS 48 N 0.96 0.55 -0.43 3.89 2.20 -1.26 -4.77 119.74 120.88 2kwc s LYS 48 Ca 0.08 0.64 0.03 0.00 -0.36 0.00 0.00 55.97 56.36 2kwc s LYS 48 Cb -0.20 0.28 0.12 0.00 -1.51 0.00 0.00 37.83 36.52 2kwc s LYS 48 CO -0.07 -0.93 0.18 0.71 -0.36 0.00 0.00 175.35 174.88 2kwc s TYR 49 N 2.81 2.80 -0.68 4.03 2.02 -0.87 -5.02 117.35 122.45 2kwc s TYR 49 Ca 0.13 -2.74 -0.18 0.00 -0.37 0.00 0.00 57.07 53.91 2kwc s TYR 49 Cb -0.12 -2.45 0.13 0.00 -0.40 0.00 0.00 41.96 39.13 2kwc s TYR 49 CO -0.25 -0.82 0.75 -1.17 -1.57 0.00 0.00 175.55 172.49 2kwc s LEU 50 N 0.43 5.70 0.16 -1.29 2.96 -1.26 -0.19 118.68 125.18 2kwc s LEU 50 Ca 0.15 -1.80 0.07 0.00 -0.22 0.00 0.00 54.13 52.34 2kwc s LEU 50 Cb -0.23 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 2kwc s LEU 50 CO -0.05 -0.98 -0.03 0.68 -1.32 0.00 0.00 176.35 174.65 2kwc s VAL 51 N 2.09 3.59 0.98 1.68 -7.23 -0.93 -4.84 120.40 115.75 2kwc s VAL 51 Ca 0.15 -1.42 -0.15 0.00 -1.81 0.00 0.00 61.98 58.75 2kwc s VAL 51 Cb -0.20 -2.78 0.18 0.00 0.56 0.00 0.00 36.38 34.15 2kwc s VAL 51 CO 0.01 -0.07 1.17 -2.16 -0.31 0.00 0.00 175.10 173.75 2kwc s PRO 52 N -2.78 0.54 -0.09 4.82 0.04 -1.26 0.18 135.00 136.44 2kwc s PRO 52 Ca 0.26 0.06 0.07 0.00 0.04 0.00 0.00 61.00 61.43 2kwc s PRO 52 Cb -0.10 -1.79 0.37 0.00 0.04 0.00 0.00 34.50 33.03 2kwc s PRO 52 CO 0.17 -2.56 1.11 0.00 0.04 0.00 0.00 177.00 175.77 2kwc n ALA 53 N -3.97 3.05 -0.22 8.56 0.00 -1.19 -3.13 120.51 123.61 2kwc n ALA 53 Ca 0.10 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2kwc n ALA 53 Cb 0.59 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 0.33 0.92 -4.92 0.00 2.03 -1.26 -4.26 116.55 109.39 2kwc n ASP 54 Ca 0.13 -1.14 -0.27 0.00 0.52 0.00 0.00 54.79 54.03 2kwc n ASP 54 Cb 0.64 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2kwc s LEU 55 N -0.14 4.08 0.16 -2.67 0.20 -1.19 -4.98 118.68 114.15 2kwc s LEU 55 Ca 0.00 0.59 0.05 0.00 0.69 0.00 0.00 54.13 55.46 2kwc s LEU 55 Cb 0.00 -3.40 -0.04 0.00 -0.43 0.00 0.00 46.19 42.32 2kwc s LEU 55 CO 0.00 -0.18 0.15 0.42 -0.29 0.00 0.00 176.35 176.44 2kwc s THR 56 N -2.09 4.54 0.27 3.68 -4.23 -1.26 -1.55 115.64 115.01 2kwc s THR 56 Ca 0.42 -1.05 -0.01 0.00 -1.18 0.00 0.00 61.69 59.87 2kwc s THR 56 Cb -0.11 -3.32 0.28 0.00 1.34 0.00 0.00 72.50 70.69 2kwc s THR 56 CO 0.31 -0.10 1.67 0.58 -0.54 0.00 0.00 174.62 176.54 2kwc h VAL 57 N 2.02 0.43 -0.94 2.29 2.07 -0.89 -0.88 116.25 120.35 2kwc h VAL 57 Ca -0.48 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.05 2kwc h VAL 57 Cb 1.20 0.13 -0.12 0.00 -1.52 0.00 0.00 31.29 30.97 2kwc h VAL 57 CO 0.64 0.05 -0.55 1.23 0.02 0.00 0.00 177.57 178.96 2kwc h GLY 58 N 0.28 -0.67 -0.56 2.17 0.00 -1.58 1.17 103.07 103.87 2kwc h GLY 58 Ca 0.50 0.74 0.34 0.00 0.00 0.00 0.00 47.33 48.90 2kwc h GLY 58 CO -0.57 -0.02 0.69 1.46 0.00 0.00 0.00 176.54 178.10 2kwc h GLN 59 N -0.04 0.27 -0.50 4.80 4.20 -1.43 1.24 115.11 123.66 2kwc h GLN 59 Ca 0.19 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 2kwc h GLN 59 Cb 0.46 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2kwc h GLN 59 CO -0.92 0.18 0.11 0.35 -0.67 0.00 0.00 178.83 177.89 2kwc h PHE 60 N 0.28 0.78 0.00 2.96 3.57 0.14 -0.28 116.94 124.39 2kwc h PHE 60 Ca 0.71 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 62.14 2kwc h PHE 60 Cb 1.88 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.39 2kwc h PHE 60 CO -0.01 0.67 0.00 0.28 -2.23 0.00 0.00 178.31 177.02 2kwc h VAL 61 N 0.73 0.00 0.00 1.41 2.07 0.22 -2.38 116.25 118.30 2kwc h VAL 61 Ca 0.16 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2kwc h VAL 61 Cb 0.29 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2kwc h VAL 61 CO -0.00 0.00 -0.21 0.22 0.02 0.00 0.00 177.57 177.60 2kwc h TYR 62 N 0.00 0.00 -0.81 1.57 3.20 -0.58 -3.07 116.97 117.28 2kwc h TYR 62 Ca 0.00 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.06 2kwc h TYR 62 Cb 0.35 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 38.48 2kwc h TYR 62 CO 0.00 0.00 -0.03 -0.39 -1.64 0.00 0.00 178.16 176.10 2kwc h VAL 63 N -0.64 0.25 0.36 1.81 -1.51 -1.30 -0.25 116.25 114.98 2kwc h VAL 63 Ca 0.00 -0.02 -0.01 0.00 -1.23 0.00 0.00 66.70 65.43 2kwc h VAL 63 Cb 0.21 0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 29.54 2kwc h VAL 63 CO 0.00 0.01 -0.28 0.40 -1.23 0.00 0.00 177.57 176.48 2kwc h ILE 64 N 0.07 0.00 -1.72 7.19 5.03 -1.61 0.23 117.51 126.70 2kwc h ILE 64 Ca 0.44 0.00 0.50 0.00 -0.12 0.00 0.00 64.86 65.68 2kwc h ILE 64 Cb 0.79 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.52 2kwc h ILE 64 CO -0.74 0.00 1.35 -0.09 -0.68 0.00 0.00 178.15 177.98 2kwc h ARG 65 N -0.62 0.00 0.02 2.37 2.43 -1.05 1.54 114.38 119.07 2kwc h ARG 65 Ca -0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2kwc h ARG 65 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2kwc h ARG 65 CO 0.01 0.00 -0.12 0.87 -1.51 0.00 0.00 179.97 179.23 2kwc h LYS 66 N 0.00 0.05 -0.18 0.20 6.56 0.24 0.26 116.57 123.69 2kwc h LYS 66 Ca 0.81 -0.08 0.05 0.00 -1.06 0.00 0.00 60.65 60.38 2kwc h LYS 66 Cb 3.50 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 35.18 2kwc h LYS 66 CO -0.01 1.02 0.53 0.00 -2.06 0.00 0.00 179.45 178.94 2kwc h ARG 67 N -0.89 0.00 0.00 3.15 2.47 0.54 0.88 114.38 120.52 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 1.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.39 2kwc h ARG 67 CO 0.02 0.00 -1.75 0.44 0.56 0.00 0.00 179.97 179.24 2kwc n ILE 68 N -3.06 0.29 -2.26 2.04 -5.35 -0.57 -4.48 119.36 105.98 2kwc n ILE 68 Ca 0.03 -0.41 -0.08 0.00 -0.27 0.00 0.00 62.75 62.01 2kwc n ILE 68 Cb 0.62 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 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 -0.98 -1.68 6.28 2.81 0.30 -4.91 117.12 116.77 2kwc n MET 69 Ca -0.09 0.39 -0.35 0.00 -1.81 0.00 0.00 57.70 55.84 2kwc n MET 69 Cb 0.56 -4.28 0.07 0.00 -0.71 0.00 0.00 33.22 28.85 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 -2.51 3.45 0.92 4.03 1.02 0.40 -4.99 118.68 120.99 2kwc s LEU 70 Ca 0.03 2.33 -0.12 0.00 0.02 0.00 0.00 54.13 56.38 2kwc s LEU 70 Cb -0.01 -4.59 0.14 0.00 0.02 0.00 0.00 46.19 41.75 2kwc s LEU 70 CO 0.04 -1.94 1.14 -2.16 0.02 0.00 0.00 176.35 173.45 2kwc s PRO 71 N -3.72 1.09 0.00 1.29 0.04 -1.26 -4.87 135.00 127.56 2kwc s PRO 71 Ca 0.75 0.27 0.23 0.00 0.04 0.00 0.00 61.00 62.28 2kwc s PRO 71 Cb -0.29 -1.84 1.37 0.00 0.04 0.00 0.00 34.50 33.79 2kwc s PRO 71 CO 0.40 -2.23 1.75 -0.35 0.04 0.00 0.00 177.00 176.62 2kwc n PRO 72 N -3.78 0.75 -0.07 0.56 -0.04 -1.26 -2.46 135.00 128.70 2kwc n PRO 72 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 2kwc n PRO 72 Cb 0.59 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.98 0.67 -1.15 0.54 0.28 -1.26 -4.96 120.64 113.78 2kwc n GLU 73 Ca 0.17 0.07 -0.29 0.00 -0.16 0.00 0.00 57.16 56.95 2kwc n GLU 73 Cb 0.08 -1.60 0.19 0.00 1.43 0.00 0.00 31.44 31.54 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 -2.55 0.21 -0.27 3.44 1.02 -1.03 -5.06 119.74 115.50 2kwc s LYS 74 Ca -0.08 0.45 -0.01 0.00 0.02 0.00 0.00 55.97 56.35 2kwc s LYS 74 Cb 0.07 -1.72 0.15 0.00 -0.52 0.00 0.00 37.83 35.81 2kwc s LYS 74 CO 0.83 -2.87 0.42 0.00 -0.92 0.00 0.00 175.35 172.81 2kwc s ALA 75 N -2.97 -1.28 -0.18 5.17 0.00 -1.26 -4.93 121.76 116.30 2kwc s ALA 75 Ca 0.66 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 53.30 2kwc s ALA 75 Cb -0.18 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 2kwc s ALA 75 CO 0.58 -1.46 0.08 -1.50 0.00 0.00 0.00 175.76 173.46 2kwc s ILE 76 N 2.58 4.97 -0.08 0.00 2.07 -1.26 -4.21 121.20 125.27 2kwc s ILE 76 Ca 0.12 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 2kwc s ILE 76 Cb -0.14 -3.24 -0.03 0.00 0.13 0.00 0.00 42.46 39.18 2kwc s ILE 76 CO -0.22 0.47 -0.07 -0.36 -1.91 0.00 0.00 174.94 172.85 2kwc s PHE 77 N 0.25 2.93 0.01 3.50 0.40 -0.84 -4.90 117.98 119.33 2kwc s PHE 77 Ca 0.05 -0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.22 2kwc s PHE 77 Cb -0.12 -1.74 -0.06 0.00 0.51 0.00 0.00 43.02 41.62 2kwc s PHE 77 CO -0.00 0.27 0.38 0.42 0.70 0.00 0.00 175.22 176.99 2kwc s ILE 78 N -0.65 5.10 -0.06 0.64 -1.09 -1.26 -1.06 121.20 122.81 2kwc s ILE 78 Ca 0.10 0.66 0.02 0.00 -2.23 0.00 0.00 60.65 59.20 2kwc s ILE 78 Cb -0.11 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 2kwc s ILE 78 CO 0.02 0.50 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.75 2kwc s PHE 79 N -1.17 1.40 -0.07 3.97 0.40 0.22 -4.61 117.98 118.12 2kwc s PHE 79 Ca 0.26 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 2kwc s PHE 79 Cb -0.15 -1.04 0.02 0.00 0.51 0.00 0.00 43.02 42.35 2kwc s PHE 79 CO 0.14 -0.28 -0.11 0.54 0.70 0.00 0.00 175.22 176.21 2kwc s VAL 80 N 0.71 1.07 -1.47 -0.44 0.11 -0.88 -0.09 120.40 119.41 2kwc s VAL 80 Ca -0.14 -0.42 -0.08 0.00 -2.93 0.00 0.00 61.98 58.41 2kwc s VAL 80 Cb -0.16 -0.99 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 2kwc s VAL 80 CO 0.03 0.34 0.85 0.59 -3.33 0.00 0.00 175.10 173.59 2kwc n ASN 81 N 3.96 -5.93 -2.91 3.54 3.02 -1.26 -0.58 115.26 115.10 2kwc n ASN 81 Ca -0.22 -0.44 -0.22 0.00 -0.03 0.00 0.00 54.58 53.67 2kwc n ASN 81 Cb 0.51 -4.74 0.03 0.00 -0.61 0.00 0.00 39.78 34.98 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 -2.72 -6.14 -2.35 6.41 9.92 -1.26 -4.96 116.55 115.45 2kwc n ASP 82 Ca -0.04 -0.24 -0.10 0.00 -0.53 0.00 0.00 54.79 53.88 2kwc n ASP 82 Cb 0.58 -4.98 -0.03 0.00 -0.64 0.00 0.00 41.12 36.05 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 -3.39 -3.53 5.66 0.25 -5.07 114.28 103.75 2kwc n THR 83 Ca -0.14 -0.95 -0.18 0.00 -3.05 0.00 0.00 64.05 59.74 2kwc n THR 83 Cb 0.63 0.36 -0.09 0.00 -1.55 0.00 0.00 70.33 69.69 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 -0.07 0.78 1.09 2.96 -1.26 -2.07 118.68 120.11 2kwc s LEU 84 Ca 0.09 -1.24 -0.11 0.00 -0.22 0.00 0.00 54.13 52.65 2kwc s LEU 84 Cb 0.00 0.47 0.06 0.00 0.50 0.00 0.00 46.19 47.22 2kwc s LEU 84 CO 0.07 -0.32 1.09 -2.16 -1.32 0.00 0.00 176.35 173.70 2kwc s PRO 85 N 1.84 2.21 0.69 0.98 0.04 -1.26 -5.04 135.00 134.46 2kwc s PRO 85 Ca 0.13 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 61.75 2kwc s PRO 85 Cb -0.15 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2kwc s PRO 85 CO -0.17 -1.54 1.06 -1.25 0.04 0.00 0.00 177.00 175.14 2kwc s PRO 86 N -5.14 2.95 0.37 0.56 0.04 -1.26 -4.95 135.00 127.57 2kwc s PRO 86 Ca 0.60 0.96 0.27 0.00 0.04 0.00 0.00 61.00 62.87 2kwc s PRO 86 Cb -0.14 -1.99 0.92 0.00 0.04 0.00 0.00 34.50 33.33 2kwc s PRO 86 CO 0.54 -1.09 1.78 0.00 0.04 0.00 0.00 177.00 178.28 2kwc h THR 87 N -0.69 0.00 0.00 1.26 1.03 -1.96 -2.68 112.91 109.88 2kwc h THR 87 Ca -0.44 -0.53 -0.15 0.00 -0.01 0.00 0.00 66.41 65.29 2kwc h THR 87 Cb 1.21 1.45 -0.02 0.00 -1.07 0.00 0.00 68.15 69.72 2kwc h THR 87 CO 0.57 0.00 -0.83 0.00 -0.01 0.00 0.00 175.52 175.25 2kwc h ALA 88 N 2.19 0.60 -1.84 0.00 0.00 -1.94 -1.75 119.26 116.52 2kwc h ALA 88 Ca 0.00 -0.68 -0.64 0.00 0.00 0.00 0.00 54.91 53.59 2kwc h ALA 88 Cb 0.62 -0.01 0.08 0.00 0.00 0.00 0.00 17.79 18.47 2kwc h ALA 88 CO 0.00 0.87 0.35 0.00 0.00 0.00 0.00 179.25 180.47 2kwc n ALA 89 N -2.30 -0.48 -2.36 0.00 0.00 -1.01 -4.69 120.51 109.66 2kwc n ALA 89 Ca -0.01 0.46 -0.39 0.00 0.00 0.00 0.00 53.44 53.49 2kwc n ALA 89 Cb 0.82 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 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 0.57 4.46 0.11 0.00 2.96 -1.26 -1.06 118.68 124.46 2kwc s LEU 90 Ca 0.74 1.38 0.11 0.00 -0.22 0.00 0.00 54.13 56.13 2kwc s LEU 90 Cb -0.83 -3.13 0.52 0.00 0.50 0.00 0.00 46.19 43.24 2kwc s LEU 90 CO 0.51 0.08 1.33 0.23 -1.32 0.00 0.00 176.35 177.18 2kwc n MET 91 N 2.58 0.06 0.01 1.98 2.81 -0.59 -0.31 117.12 123.65 2kwc n MET 91 Ca -0.05 0.48 -0.21 0.00 -1.81 0.00 0.00 57.70 56.12 2kwc n MET 91 Cb 0.50 -1.66 -0.14 0.00 -0.71 0.00 0.00 33.22 31.22 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 0.38 0.28 7.83 4.64 -1.81 -2.41 113.55 122.46 2kwc h SER 92 Ca 0.00 -0.87 -0.23 0.00 -0.47 0.00 0.00 61.79 60.22 2kwc h SER 92 Cb 0.09 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2kwc h SER 92 CO 0.00 1.53 -0.94 0.00 -0.87 0.00 0.00 176.83 176.55 2kwc h ALA 93 N -0.03 0.35 0.64 5.18 0.00 -1.65 -2.38 119.26 121.37 2kwc h ALA 93 Ca -0.25 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 53.93 2kwc h ALA 93 Cb 1.68 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.46 2kwc h ALA 93 CO 0.07 0.80 -0.31 0.82 0.00 0.00 0.00 179.25 180.63 2kwc h ILE 94 N 0.26 0.00 -0.11 0.00 1.08 -0.81 -2.70 117.51 115.23 2kwc h ILE 94 Ca -0.08 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.18 2kwc h ILE 94 Cb 1.57 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 2kwc h ILE 94 CO 0.17 0.00 0.28 0.22 -0.69 0.00 0.00 178.15 178.12 2kwc h TYR 95 N -1.10 0.00 -0.25 1.37 5.03 -1.54 1.50 116.97 121.99 2kwc h TYR 95 Ca -0.09 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.08 2kwc h TYR 95 Cb 0.66 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.93 2kwc h TYR 95 CO 0.02 0.00 -0.41 1.96 -1.32 0.00 0.00 178.16 178.41 2kwc h GLN 96 N 0.00 0.61 -0.02 1.82 4.20 -1.13 0.83 115.11 121.42 2kwc h GLN 96 Ca 0.05 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2kwc h GLN 96 Cb 0.60 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2kwc h GLN 96 CO -0.00 0.91 -0.04 0.39 -0.67 0.00 0.00 178.83 179.42 2kwc n GLU 97 N -4.03 1.01 -0.01 1.46 1.02 0.90 -4.37 120.64 116.62 2kwc n GLU 97 Ca -0.02 -1.19 0.04 0.00 -0.02 0.00 0.00 57.16 55.98 2kwc n GLU 97 Cb 0.52 -1.24 -0.09 0.00 -0.02 0.00 0.00 31.44 30.62 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 0.59 0.00 -1.45 -0.32 8.25 0.48 -5.02 115.22 117.75 2kwc n HIS 98 Ca 0.07 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.09 2kwc n HIS 98 Cb 0.32 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.97 0.52 -3.40 -0.41 0.00 0.29 -4.76 118.16 108.43 2kwc n LYS 99 Ca -0.04 0.19 -0.23 0.00 0.00 0.00 0.00 58.31 58.23 2kwc n LYS 99 Cb 0.38 -1.38 0.04 0.00 0.00 0.00 0.00 35.03 34.07 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 -0.88 4.85 0.46 3.14 2.15 -1.15 -4.94 116.67 120.31 2kwc s ASP 100 Ca 0.62 -1.07 0.31 0.00 0.43 0.00 0.00 52.55 52.84 2kwc s ASP 100 Cb -0.72 0.48 1.37 0.00 -0.30 0.00 0.00 42.92 43.75 2kwc s ASP 100 CO 0.58 -1.32 1.93 0.11 -0.17 0.00 0.00 175.17 176.30 2kwc h LYS 101 N 0.35 0.00 0.00 4.34 1.57 -1.93 -0.48 116.57 120.43 2kwc h LYS 101 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 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 0.47 0.00 -0.79 -0.40 -0.57 0.00 0.00 179.45 178.16 2kwc n ASP 102 N -2.77 0.66 0.00 0.86 5.75 -1.26 -4.97 116.55 114.82 2kwc n ASP 102 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 2kwc n ASP 102 Cb 0.23 0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 2kwc n ASP 102 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kwc n GLY 103 N 1.35 2.82 3.25 6.12 0.00 -0.19 -4.23 105.19 114.30 2kwc n GLY 103 Ca 0.03 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.47 -4.71 1.61 3.72 -1.26 -3.82 117.46 111.53 2kwc n PHE 104 Ca 0.00 0.14 -0.33 0.00 -0.05 0.00 0.00 57.45 57.21 2kwc n PHE 104 Cb 0.00 -1.54 -0.15 0.00 -0.94 0.00 0.00 39.48 36.85 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 -0.97 2.61 -0.30 4.37 2.96 -1.24 -2.91 118.68 123.20 2kwc s LEU 105 Ca 0.54 -0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 53.96 2kwc s LEU 105 Cb -0.10 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2kwc s LEU 105 CO 0.64 0.14 0.18 -0.31 -1.32 0.00 0.00 176.35 175.68 2kwc s TYR 106 N 0.52 3.20 0.15 5.38 1.51 -1.26 -0.47 117.35 126.37 2kwc s TYR 106 Ca -0.09 -0.19 -0.05 0.00 -1.01 0.00 0.00 57.07 55.73 2kwc s TYR 106 Cb -0.16 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.28 2kwc s TYR 106 CO 0.04 -0.30 0.18 0.14 -1.11 0.00 0.00 175.55 174.49 2kwc s VAL 107 N 1.70 0.08 -0.22 0.71 -7.23 -1.19 -4.30 120.40 109.96 2kwc s VAL 107 Ca 0.06 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.45 2kwc s VAL 107 Cb -0.16 -1.94 0.06 0.00 0.56 0.00 0.00 36.38 34.90 2kwc s VAL 107 CO 0.09 -0.37 0.55 -0.89 -0.31 0.00 0.00 175.10 174.16 2kwc s THR 108 N -4.01 -0.01 0.57 5.32 2.01 0.86 -1.82 115.64 118.57 2kwc s THR 108 Ca 0.20 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.30 2kwc s THR 108 Cb 0.05 -0.79 0.06 0.00 0.01 0.00 0.00 72.50 71.83 2kwc s THR 108 CO 0.01 0.01 0.51 0.00 -0.69 0.00 0.00 174.62 174.46 2kwc n TYR 109 N 3.81 -0.95 -3.64 4.92 0.18 -1.07 0.70 117.16 121.11 2kwc n TYR 109 Ca -0.19 -2.33 -0.03 0.00 1.88 0.00 0.00 57.90 57.23 2kwc n TYR 109 Cb 0.57 -0.48 -0.07 0.00 -0.38 0.00 0.00 39.34 38.98 2kwc n TYR 109 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2kwc s SER 110 N -4.38 -0.47 0.62 9.48 1.04 -0.23 -2.42 113.70 117.35 2kwc s SER 110 Ca 0.39 0.76 0.24 0.00 0.48 0.00 0.00 55.95 57.82 2kwc s SER 110 Cb -0.03 1.15 1.13 0.00 0.10 0.00 0.00 66.02 68.37 2kwc s SER 110 CO 0.25 -0.12 1.60 1.23 0.98 0.00 0.00 173.24 177.17 2kwc h GLY 111 N 5.79 0.00 -3.35 7.32 0.00 -1.87 -2.24 103.07 108.73 2kwc h GLY 111 Ca -0.28 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.52 2kwc h GLY 111 CO 0.19 0.00 -0.53 1.85 0.00 0.00 0.00 176.54 178.06 2kwc s GLU 112 N -4.36 3.01 -1.18 4.80 2.56 -1.26 -4.27 118.70 118.01 2kwc s GLU 112 Ca -0.03 -0.92 -0.07 0.00 0.00 0.00 0.00 54.97 53.96 2kwc s GLU 112 Cb 0.11 -2.66 0.24 0.00 2.00 0.00 0.00 34.13 33.82 2kwc s GLU 112 CO 0.38 0.44 1.68 -1.71 -0.56 0.00 0.00 175.26 175.50 2kwc n ASN 113 N -0.85 5.76 -4.26 -1.70 5.15 -1.26 -4.47 115.26 113.63 2kwc n ASN 113 Ca -0.08 -3.26 -0.17 0.00 -0.60 0.00 0.00 54.58 50.47 2kwc n ASN 113 Cb 0.56 -1.37 -0.11 0.00 -0.53 0.00 0.00 39.78 38.33 2kwc n ASN 113 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2kwc s THR 114 N -1.20 1.35 -2.75 -0.44 -4.23 -1.26 -5.03 115.64 102.07 2kwc s THR 114 Ca 0.35 -1.93 0.26 0.00 -1.18 0.00 0.00 61.69 59.19 2kwc s THR 114 Cb 0.07 -1.73 0.34 0.00 1.34 0.00 0.00 72.50 72.52 2kwc s THR 114 CO 0.06 -0.57 1.47 0.49 -0.54 0.00 0.00 174.62 175.53 2kwc n PHE 115 N 0.11 0.00 0.00 3.99 3.72 -1.26 -4.97 117.46 119.05 2kwc n PHE 115 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2kwc n PHE 115 Cb 0.59 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12