#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 0.00 -3.64 0.03 5.02 -1.26 -4.85 118.16 113.46 2kwc n LYS 2 Ca 0.00 0.37 -0.29 0.00 -2.02 0.00 0.00 58.31 56.36 2kwc n LYS 2 Cb 0.00 -0.85 -0.14 0.00 -0.02 0.00 0.00 35.03 34.02 2kwc n LYS 2 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2kwc s SER 3 N -2.91 3.58 0.32 4.39 1.04 -1.26 -4.95 113.70 113.92 2kwc s SER 3 Ca 0.00 -2.09 0.19 0.00 0.48 0.00 0.00 55.95 54.53 2kwc s SER 3 Cb 0.00 -0.76 0.15 0.00 0.10 0.00 0.00 66.02 65.52 2kwc s SER 3 CO 0.00 -0.34 1.43 0.71 0.98 0.00 0.00 173.24 176.03 2kwc h THR 4 N 5.68 0.44 -1.45 2.02 1.35 -2.00 -3.30 112.91 115.66 2kwc h THR 4 Ca -0.05 -1.64 0.42 0.00 -0.55 0.00 0.00 66.41 64.59 2kwc h THR 4 Cb 0.97 2.16 -0.06 0.00 -1.73 0.00 0.00 68.15 69.50 2kwc h THR 4 CO 0.42 0.25 1.23 2.19 -0.25 0.00 0.00 175.52 179.35 2kwc h PHE 5 N 0.00 0.00 -0.06 4.73 -0.00 -1.92 1.78 116.94 121.46 2kwc h PHE 5 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.94 2kwc h PHE 5 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.17 2kwc h PHE 5 CO 0.00 0.00 -0.04 -0.22 -0.00 0.00 0.00 178.31 178.05 2kwc h LYS 6 N 0.00 0.13 0.00 6.09 1.63 -1.69 -2.75 116.57 119.98 2kwc h LYS 6 Ca 0.69 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.43 2kwc h LYS 6 Cb 3.13 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 34.76 2kwc h LYS 6 CO -0.01 0.53 -0.36 0.45 -3.45 0.00 0.00 179.45 176.61 2kwc n SER 7 N -4.78 1.06 -0.31 4.20 2.88 0.49 -4.35 113.62 112.81 2kwc n SER 7 Ca -0.07 0.40 0.24 0.00 -1.33 0.00 0.00 58.87 58.12 2kwc n SER 7 Cb 0.26 -0.70 0.46 0.00 -0.75 0.00 0.00 64.21 63.48 2kwc n SER 7 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kwc n GLU 8 N -3.62 -0.06 -4.36 -1.46 4.07 0.48 -4.42 120.64 111.28 2kwc n GLU 8 Ca -0.05 1.34 -0.19 0.00 -0.06 0.00 0.00 57.16 58.19 2kwc n GLU 8 Cb 0.19 -2.30 -0.10 0.00 -0.06 0.00 0.00 31.44 29.17 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 -5.60 1.78 0.79 4.31 2.02 -1.04 -4.99 117.35 114.62 2kwc s TYR 9 Ca -0.10 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 55.95 2kwc s TYR 9 Cb 0.30 -0.82 0.06 0.00 -0.40 0.00 0.00 41.96 41.10 2kwc s TYR 9 CO 0.73 0.39 1.09 -1.25 -1.57 0.00 0.00 175.55 174.95 2kwc s PRO 10 N -3.53 2.17 0.22 -1.71 0.04 -1.26 -4.00 135.00 126.94 2kwc s PRO 10 Ca 0.22 0.67 0.25 0.00 0.04 0.00 0.00 61.00 62.19 2kwc s PRO 10 Cb -0.02 -1.93 0.67 0.00 0.04 0.00 0.00 34.50 33.27 2kwc s PRO 10 CO 0.08 -1.57 1.67 0.27 0.04 0.00 0.00 177.00 177.49 2kwc h PHE 11 N -1.05 0.00 0.00 0.56 -5.15 -1.84 -3.11 116.94 106.35 2kwc h PHE 11 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 2kwc h PHE 11 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.43 2kwc h PHE 11 CO 0.48 0.00 -0.47 0.93 -2.00 0.00 0.00 178.31 177.25 2kwc h GLU 12 N 0.00 0.00 -0.79 6.09 5.08 -1.96 -2.98 114.58 120.02 2kwc h GLU 12 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2kwc h GLU 12 Cb 0.77 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2kwc h GLU 12 CO 0.00 0.00 0.49 -0.22 -1.00 0.00 0.00 179.01 178.28 2kwc h LYS 13 N 0.00 0.92 0.02 2.33 1.63 -1.93 0.34 116.57 119.88 2kwc h LYS 13 Ca 0.00 -0.06 -0.29 0.00 -0.85 0.00 0.00 60.65 59.45 2kwc h LYS 13 Cb 0.81 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 32.19 2kwc h LYS 13 CO 0.00 0.61 -1.64 0.07 -3.45 0.00 0.00 179.45 175.04 2kwc h ARG 14 N 0.95 0.05 0.00 1.90 -0.00 -1.75 -3.04 114.38 112.48 2kwc h ARG 14 Ca 0.32 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.98 60.20 2kwc h ARG 14 Cb 0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 29.97 30.05 2kwc h ARG 14 CO -0.13 0.67 -0.11 -0.22 -0.00 0.00 0.00 179.97 180.19 2kwc h LYS 15 N 0.01 0.00 0.00 0.08 3.64 -1.29 0.11 116.57 119.12 2kwc h LYS 15 Ca -0.26 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.05 2kwc h LYS 15 Cb 1.99 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.80 2kwc h LYS 15 CO 0.09 0.11 -0.40 0.00 -2.27 0.00 0.00 179.45 176.98 2kwc h ALA 16 N 1.89 0.08 -0.72 5.00 0.00 -0.41 -2.98 119.26 122.11 2kwc h ALA 16 Ca -0.00 -0.63 0.14 0.00 0.00 0.00 0.00 54.91 54.43 2kwc h ALA 16 Cb 0.33 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2kwc h ALA 16 CO 0.01 0.25 0.48 1.49 0.00 0.00 0.00 179.25 181.48 2kwc h GLU 17 N -1.00 0.36 -0.28 0.00 4.81 -1.39 0.30 114.58 117.38 2kwc h GLU 17 Ca -0.10 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 2kwc h GLU 17 Cb 0.89 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 2kwc h GLU 17 CO -0.06 0.24 -0.28 0.66 -0.73 0.00 0.00 179.01 178.84 2kwc h SER 18 N 0.38 0.74 -0.98 1.04 4.64 -1.09 -2.02 113.55 116.25 2kwc h SER 18 Ca 0.35 -0.47 0.25 0.00 -0.47 0.00 0.00 61.79 61.45 2kwc h SER 18 Cb 0.84 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 62.65 2kwc h SER 18 CO -0.10 1.06 0.66 -0.33 -0.87 0.00 0.00 176.83 177.25 2kwc h GLU 19 N 0.43 0.25 0.01 4.77 4.39 -0.77 0.89 114.58 124.55 2kwc h GLU 19 Ca 0.05 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 2kwc h GLU 19 Cb 0.85 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2kwc h GLU 19 CO 0.07 0.17 -0.00 0.00 -1.16 0.00 0.00 179.01 178.08 2kwc h ARG 20 N 0.26 -0.01 -0.02 2.33 3.08 -1.28 -2.61 114.38 116.12 2kwc h ARG 20 Ca 0.51 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.57 2kwc h ARG 20 Cb 1.54 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.59 2kwc h ARG 20 CO -0.16 0.70 0.09 0.82 -1.07 0.00 0.00 179.97 180.35 2kwc h ILE 21 N -0.98 0.13 0.03 2.04 2.04 -0.48 0.90 117.51 121.19 2kwc h ILE 21 Ca -0.00 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.62 2kwc h ILE 21 Cb 0.72 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2kwc h ILE 21 CO 0.00 0.00 -1.20 0.00 0.00 0.00 0.00 178.15 176.95 2kwc h ALA 22 N 1.85 0.36 0.00 1.87 0.00 0.73 0.45 119.26 124.52 2kwc h ALA 22 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2kwc h ALA 22 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kwc h ALA 22 CO -0.00 1.24 -0.63 -3.47 0.00 0.00 0.00 179.25 176.39 2kwc n ASP 23 N -3.35 0.66 -0.10 0.00 -0.08 0.13 -3.23 116.55 110.59 2kwc n ASP 23 Ca -0.06 0.06 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 2kwc n ASP 23 Cb 0.98 0.20 -0.04 0.00 2.34 0.00 0.00 41.12 44.60 2kwc n ASP 23 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2kwc n ARG 24 N -2.02 0.54 -3.61 -0.67 3.00 0.27 -4.81 116.66 109.35 2kwc n ARG 24 Ca 0.03 0.23 -0.27 0.00 -0.00 0.00 0.00 57.85 57.84 2kwc n ARG 24 Cb 0.43 -1.45 -0.10 0.00 0.00 0.00 0.00 32.46 31.34 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 -4.43 2.90 1.50 -0.14 3.72 0.16 -4.88 117.46 116.29 2kwc n PHE 25 Ca -0.20 -4.13 0.12 0.00 -0.05 0.00 0.00 57.45 53.19 2kwc n PHE 25 Cb 0.57 -0.52 0.70 0.00 -0.94 0.00 0.00 39.48 39.30 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 1.51 0.75 0.00 -1.08 -0.04 -1.20 -1.80 135.00 133.14 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 0.40 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 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 1.45 -4.13 3.54 4.13 -1.26 -4.98 115.26 113.01 2kwc n ASN 27 Ca 0.18 -1.23 -0.18 0.00 1.68 0.00 0.00 54.58 55.03 2kwc n ASN 27 Cb 0.08 0.61 0.09 0.00 -1.54 0.00 0.00 39.78 39.02 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 -0.44 0.14 -3.36 3.52 5.12 -0.75 -2.87 116.66 118.03 2kwc n ARG 28 Ca 0.06 -2.28 -0.16 0.00 -1.93 0.00 0.00 57.85 53.54 2kwc n ARG 28 Cb 0.33 -0.48 -0.08 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 -2.38 -0.38 -0.72 0.55 1.01 0.50 -4.73 121.20 115.05 2kwc s ILE 29 Ca 0.53 -0.84 -0.26 0.00 0.00 0.00 0.00 60.65 60.08 2kwc s ILE 29 Cb -0.03 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.72 2kwc s ILE 29 CO 0.35 -0.53 1.58 -2.16 0.00 0.00 0.00 174.94 174.18 2kwc s PRO 30 N 1.66 2.94 0.52 2.79 0.04 -1.26 -2.40 135.00 139.30 2kwc s PRO 30 Ca 0.15 0.03 -0.06 0.00 0.04 0.00 0.00 61.00 61.15 2kwc s PRO 30 Cb -0.15 -4.43 -0.03 0.00 0.04 0.00 0.00 34.50 29.93 2kwc s PRO 30 CO -0.10 -2.49 0.85 0.54 0.04 0.00 0.00 177.00 175.84 2kwc s VAL 31 N 7.37 4.74 -0.37 -0.36 0.11 -1.07 -3.91 120.40 126.91 2kwc s VAL 31 Ca 0.52 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 2kwc s VAL 31 Cb -0.09 -3.82 0.13 0.00 -1.53 0.00 0.00 36.38 31.07 2kwc s VAL 31 CO 0.14 -0.87 0.20 -0.63 -3.33 0.00 0.00 175.10 170.61 2kwc s ILE 32 N -2.86 0.63 0.26 7.04 -1.09 -1.19 -3.60 121.20 120.38 2kwc s ILE 32 Ca 0.50 -1.87 -0.02 0.00 -2.23 0.00 0.00 60.65 57.02 2kwc s ILE 32 Cb -0.10 -1.46 -0.05 0.00 -1.58 0.00 0.00 42.46 39.27 2kwc s ILE 32 CO 0.47 -0.90 0.48 0.00 -1.23 0.00 0.00 174.94 173.76 2kwc s GLU 34 N -3.55 -0.06 0.28 0.00 2.02 -0.83 -4.70 118.70 111.86 2kwc s GLU 34 Ca 0.41 0.40 -0.30 0.00 0.02 0.00 0.00 54.97 55.49 2kwc s GLU 34 Cb -0.11 -0.45 -0.12 0.00 0.10 0.00 0.00 34.13 33.55 2kwc s GLU 34 CO 0.30 -0.31 1.56 1.17 0.02 0.00 0.00 175.26 177.99 2kwc n LYS 35 N 5.22 2.54 -2.19 1.61 0.00 -1.26 -3.61 118.16 120.47 2kwc n LYS 35 Ca -0.05 0.90 -0.42 0.00 0.00 0.00 0.00 58.31 58.74 2kwc n LYS 35 Cb 0.50 -2.66 -0.03 0.00 0.00 0.00 0.00 35.03 32.85 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 0.04 3.62 0.23 3.14 0.00 -1.09 -4.89 121.76 122.81 2kwc s ALA 36 Ca 0.66 0.80 -0.06 0.00 0.00 0.00 0.00 51.96 53.35 2kwc s ALA 36 Cb -0.53 -3.66 0.32 0.00 0.00 0.00 0.00 23.12 19.24 2kwc s ALA 36 CO 0.48 -1.16 1.83 1.05 0.00 0.00 0.00 175.76 177.96 2kwc h GLU 37 N 8.57 0.84 -0.06 0.00 4.11 -1.92 0.24 114.58 126.37 2kwc h GLU 37 Ca -0.35 -0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.04 2kwc h GLU 37 Cb 1.16 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2kwc h GLU 37 CO 0.94 0.56 0.07 0.87 0.07 0.00 0.00 179.01 181.52 2kwc h LYS 38 N 0.86 0.00 -7.02 1.06 1.79 -2.01 -3.42 116.57 107.84 2kwc h LYS 38 Ca 0.36 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.43 2kwc h LYS 38 Cb 0.20 0.00 0.22 0.00 -1.58 0.00 0.00 32.23 31.07 2kwc h LYS 38 CO -0.19 0.00 -0.12 0.45 -1.08 0.00 0.00 179.45 178.52 2kwc s SER 39 N -5.86 -0.84 -0.02 0.86 0.15 0.85 -4.98 113.70 103.87 2kwc s SER 39 Ca -0.05 1.06 0.03 0.00 0.70 0.00 0.00 55.95 57.69 2kwc s SER 39 Cb 0.15 -1.55 0.05 0.00 -1.71 0.00 0.00 66.02 62.96 2kwc s SER 39 CO 0.52 -5.25 0.87 -0.67 1.20 0.00 0.00 173.24 169.90 2kwc n ASP 40 N -5.58 0.76 -4.89 5.45 -0.08 -1.26 -5.03 116.55 105.92 2kwc n ASP 40 Ca 0.10 -1.88 -0.30 0.00 -1.51 0.00 0.00 54.79 51.21 2kwc n ASP 40 Cb 0.58 -0.14 0.03 0.00 2.34 0.00 0.00 41.12 43.93 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2kwc s ILE 41 N -0.68 3.90 -0.09 5.18 -4.36 -1.26 -5.00 121.20 118.88 2kwc s ILE 41 Ca 0.06 0.49 -0.30 0.00 -0.26 0.00 0.00 60.65 60.64 2kwc s ILE 41 Cb 0.05 -3.59 -0.03 0.00 1.25 0.00 0.00 42.46 40.14 2kwc s ILE 41 CO 0.01 -0.75 1.24 -2.16 0.24 0.00 0.00 174.94 173.52 2kwc s PRO 42 N -5.22 4.30 1.22 0.37 0.04 -1.26 -5.01 135.00 129.44 2kwc s PRO 42 Ca 0.56 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 63.15 2kwc s PRO 42 Cb -0.11 -3.64 0.30 0.00 0.04 0.00 0.00 34.50 31.09 2kwc s PRO 42 CO 0.51 -0.56 0.92 -1.91 0.04 0.00 0.00 177.00 176.00 2kwc n GLU 43 N 5.75 -2.81 -3.08 4.56 2.13 -1.26 -4.85 120.64 121.09 2kwc n GLU 43 Ca 0.12 -0.80 -0.14 0.00 0.66 0.00 0.00 57.16 57.00 2kwc n GLU 43 Cb 0.45 -2.09 -0.02 0.00 0.27 0.00 0.00 31.44 30.05 2kwc n GLU 43 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2kwc n ILE 44 N -5.10 0.00 0.01 6.31 -5.35 -1.26 -4.91 119.36 109.06 2kwc n ILE 44 Ca 0.03 -1.07 -0.06 0.00 -0.27 0.00 0.00 62.75 61.37 2kwc n ILE 44 Cb 0.55 0.11 -0.05 0.00 -1.74 0.00 0.00 39.64 38.51 2kwc n ILE 44 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2kwc h ASP 45 N 0.50 -0.12 -5.24 7.28 3.58 -1.97 -3.49 116.42 116.97 2kwc h ASP 45 Ca -0.19 -0.24 -0.06 0.00 0.42 0.00 0.00 57.03 56.96 2kwc h ASP 45 Cb 0.58 0.03 -0.10 0.00 1.72 0.00 0.00 39.33 41.57 2kwc h ASP 45 CO 0.30 0.47 -0.13 -1.59 -2.88 0.00 0.00 179.24 175.41 2kwc s LYS 46 N -2.36 1.50 -0.43 0.28 0.00 -1.26 -5.13 119.74 112.34 2kwc s LYS 46 Ca -0.07 -1.22 -0.07 0.00 0.00 0.00 0.00 55.97 54.60 2kwc s LYS 46 Cb -0.00 0.46 0.10 0.00 0.00 0.00 0.00 37.83 38.39 2kwc s LYS 46 CO 0.26 -0.62 0.27 1.03 0.00 0.00 0.00 175.35 176.29 2kwc s ARG 47 N -4.01 2.38 -0.29 1.78 0.52 -1.26 -5.00 118.95 113.07 2kwc s ARG 47 Ca 0.21 -1.68 -0.01 0.00 -0.52 0.00 0.00 55.73 53.74 2kwc s ARG 47 Cb -0.00 -3.77 0.18 0.00 0.52 0.00 0.00 34.95 31.88 2kwc s ARG 47 CO 0.08 -1.07 0.58 0.21 0.02 0.00 0.00 175.30 175.11 2kwc s LYS 48 N 1.32 0.55 -0.37 3.54 2.20 -1.26 -4.75 119.74 120.97 2kwc s LYS 48 Ca 0.05 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 2kwc s LYS 48 Cb -0.24 0.44 0.12 0.00 -1.51 0.00 0.00 37.83 36.64 2kwc s LYS 48 CO -0.01 -0.64 0.18 0.71 -0.36 0.00 0.00 175.35 175.23 2kwc s TYR 49 N 2.83 1.47 -0.75 4.03 2.02 -1.24 -5.04 117.35 120.66 2kwc s TYR 49 Ca 0.20 -1.90 -0.24 0.00 -0.37 0.00 0.00 57.07 54.76 2kwc s TYR 49 Cb -0.15 -1.53 0.06 0.00 -0.40 0.00 0.00 41.96 39.94 2kwc s TYR 49 CO -0.21 -0.83 1.16 -1.17 -1.57 0.00 0.00 175.55 172.93 2kwc s LEU 50 N 1.05 3.86 0.18 -1.29 2.96 -1.26 -2.59 118.68 121.59 2kwc s LEU 50 Ca 0.15 -0.92 0.07 0.00 -0.22 0.00 0.00 54.13 53.21 2kwc s LEU 50 Cb -0.21 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 2kwc s LEU 50 CO -0.10 -1.58 0.02 0.68 -1.32 0.00 0.00 176.35 174.05 2kwc s VAL 51 N 4.71 3.81 0.99 1.68 -7.23 -1.01 -4.84 120.40 118.52 2kwc s VAL 51 Ca 0.31 -1.41 -0.15 0.00 -1.81 0.00 0.00 61.98 58.92 2kwc s VAL 51 Cb -0.10 -2.93 0.19 0.00 0.56 0.00 0.00 36.38 34.09 2kwc s VAL 51 CO 0.08 -0.13 1.17 -2.16 -0.31 0.00 0.00 175.10 173.75 2kwc s PRO 52 N -3.04 0.49 -0.09 4.82 0.04 -1.26 0.19 135.00 136.16 2kwc s PRO 52 Ca 0.28 0.05 0.07 0.00 0.04 0.00 0.00 61.00 61.44 2kwc s PRO 52 Cb -0.09 -1.79 0.35 0.00 0.04 0.00 0.00 34.50 33.01 2kwc s PRO 52 CO 0.19 -2.59 1.08 0.00 0.04 0.00 0.00 177.00 175.73 2kwc n ALA 53 N -3.99 3.00 0.04 8.56 0.00 -1.14 -3.10 120.51 123.89 2kwc n ALA 53 Ca 0.10 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2kwc n ALA 53 Cb 0.59 -1.04 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 -0.25 0.00 0.00 0.00 177.50 177.25 2kwc n ASP 54 N 0.30 0.64 -4.89 0.00 8.00 -1.26 -4.21 116.55 115.13 2kwc n ASP 54 Ca 0.12 -0.82 -0.29 0.00 0.71 0.00 0.00 54.79 54.51 2kwc n ASP 54 Cb 0.60 0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 42.11 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 -0.89 3.61 0.22 0.64 0.20 -1.18 -4.95 118.68 116.33 2kwc s LEU 55 Ca 0.01 1.08 0.11 0.00 0.69 0.00 0.00 54.13 56.01 2kwc s LEU 55 Cb 0.01 -4.03 -0.05 0.00 -0.43 0.00 0.00 46.19 41.69 2kwc s LEU 55 CO 0.02 -0.58 -0.19 0.42 -0.29 0.00 0.00 176.35 175.73 2kwc s THR 56 N -2.72 2.60 0.26 3.68 -4.23 -1.26 -1.45 115.64 112.52 2kwc s THR 56 Ca 0.50 -2.06 -0.07 0.00 -1.18 0.00 0.00 61.69 58.88 2kwc s THR 56 Cb -0.10 -2.29 0.35 0.00 1.34 0.00 0.00 72.50 71.79 2kwc s THR 56 CO 0.43 -0.20 1.60 0.58 -0.54 0.00 0.00 174.62 176.48 2kwc h VAL 57 N 2.80 0.19 -0.74 2.29 2.07 -1.53 -0.28 116.25 121.04 2kwc h VAL 57 Ca -0.45 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.13 2kwc h VAL 57 Cb 1.22 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 31.06 2kwc h VAL 57 CO 0.53 0.01 -0.44 0.61 0.02 0.00 0.00 177.57 178.30 2kwc n GLY 58 N -1.50 -2.58 0.44 2.17 0.00 -1.12 -0.37 105.19 102.23 2kwc n GLY 58 Ca 0.15 1.01 -0.13 0.00 0.00 0.00 0.00 46.02 47.04 2kwc n GLY 58 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kwc h GLN 59 N 0.00 -0.42 -0.62 1.61 1.08 -1.33 -1.29 115.11 114.14 2kwc h GLN 59 Ca 0.12 0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.46 2kwc h GLN 59 Cb 0.30 0.10 -0.12 0.00 -0.05 0.00 0.00 27.48 27.71 2kwc h GLN 59 CO -0.70 -0.28 -0.32 0.35 -0.95 0.00 0.00 178.83 176.93 2kwc h PHE 60 N -0.44 -0.87 -1.35 2.96 3.57 -0.74 0.84 116.94 120.91 2kwc h PHE 60 Ca 0.08 0.07 0.43 0.00 3.53 0.00 0.00 57.97 62.08 2kwc h PHE 60 Cb 0.62 0.47 -0.11 0.00 2.79 0.00 0.00 35.95 39.72 2kwc h PHE 60 CO -0.64 -0.37 0.89 0.28 -2.23 0.00 0.00 178.31 176.24 2kwc h VAL 61 N -0.14 0.17 0.19 1.41 2.07 0.49 0.94 116.25 121.38 2kwc h VAL 61 Ca 0.25 -0.03 -0.28 0.00 0.82 0.00 0.00 66.70 67.45 2kwc h VAL 61 Cb 0.55 0.06 0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2kwc h VAL 61 CO -0.69 0.02 -1.28 0.22 0.02 0.00 0.00 177.57 175.85 2kwc h TYR 62 N 0.10 0.74 -0.83 1.57 3.20 0.92 -3.09 116.97 119.57 2kwc h TYR 62 Ca 0.80 -0.54 0.21 0.00 3.14 0.00 0.00 58.73 62.33 2kwc h TYR 62 Cb 2.58 -0.03 -0.14 0.00 1.54 0.00 0.00 36.73 40.68 2kwc h TYR 62 CO -0.00 1.49 0.17 0.28 -1.64 0.00 0.00 178.16 178.46 2kwc h VAL 63 N -0.09 0.34 -0.00 1.81 2.07 0.32 0.25 116.25 120.94 2kwc h VAL 63 Ca -0.24 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2kwc h VAL 63 Cb 1.94 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2kwc h VAL 63 CO 0.20 0.03 0.00 0.40 0.02 0.00 0.00 177.57 178.22 2kwc h ILE 64 N 0.19 1.24 -0.69 4.57 5.03 -1.36 -2.34 117.51 124.14 2kwc h ILE 64 Ca 0.50 -0.71 0.20 0.00 -0.12 0.00 0.00 64.86 64.73 2kwc h ILE 64 Cb 0.96 1.72 -0.03 0.00 -3.03 0.00 0.00 36.82 36.44 2kwc h ILE 64 CO -0.64 0.18 0.86 -0.09 -0.68 0.00 0.00 178.15 177.78 2kwc h ARG 65 N -0.29 0.00 0.00 2.37 2.43 -0.49 0.72 114.38 119.13 2kwc h ARG 65 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kwc h ARG 65 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2kwc h ARG 65 CO 0.00 0.00 -0.00 0.87 -1.51 0.00 0.00 179.97 179.33 2kwc h LYS 66 N 0.00 -0.00 -0.48 0.20 6.56 -0.68 1.52 116.57 123.69 2kwc h LYS 66 Ca 0.33 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 60.04 2kwc h LYS 66 Cb 2.04 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.68 2kwc h LYS 66 CO -0.00 0.88 0.34 0.00 -2.06 0.00 0.00 179.45 178.60 2kwc h ARG 67 N -0.94 0.09 0.00 3.15 2.47 0.60 0.13 114.38 119.88 2kwc h ARG 67 Ca -0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2kwc h ARG 67 Cb 0.89 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2kwc h ARG 67 CO 0.00 0.06 -1.13 0.44 0.56 0.00 0.00 179.97 179.90 2kwc n ILE 68 N -4.42 0.00 -4.27 2.04 -5.35 -0.03 -4.86 119.36 102.47 2kwc n ILE 68 Ca 0.08 -0.17 -0.31 0.00 -0.27 0.00 0.00 62.75 62.08 2kwc n ILE 68 Cb 0.48 0.74 -0.09 0.00 -1.74 0.00 0.00 39.64 39.03 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 -1.63 -1.33 -1.56 6.28 0.00 0.51 -4.88 117.12 114.52 2kwc n MET 69 Ca 0.01 0.14 -0.32 0.00 0.00 0.00 0.00 57.70 57.54 2kwc n MET 69 Cb 0.34 -3.78 0.06 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 -7.32 3.24 0.90 3.17 1.02 -0.77 -5.01 118.68 113.92 2kwc s LEU 70 Ca 0.03 1.91 -0.12 0.00 0.02 0.00 0.00 54.13 55.97 2kwc s LEU 70 Cb -0.02 -4.54 0.13 0.00 0.02 0.00 0.00 46.19 41.78 2kwc s LEU 70 CO 0.98 -1.78 1.13 -2.16 0.02 0.00 0.00 176.35 174.55 2kwc s PRO 71 N -4.45 1.24 0.00 1.29 0.04 -1.26 -4.93 135.00 126.93 2kwc s PRO 71 Ca 0.64 0.32 0.24 0.00 0.04 0.00 0.00 61.00 62.24 2kwc s PRO 71 Cb -0.19 -1.85 1.36 0.00 0.04 0.00 0.00 34.50 33.86 2kwc s PRO 71 CO 0.48 -2.13 1.78 -0.35 0.04 0.00 0.00 177.00 176.81 2kwc n PRO 72 N -3.73 0.64 -0.03 0.56 -0.04 -1.26 -2.42 135.00 128.73 2kwc n PRO 72 Ca 0.07 0.02 -0.05 0.00 -0.04 0.00 0.00 63.50 63.50 2kwc n PRO 72 Cb 0.59 -1.50 -0.13 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 -1.07 0.65 -0.94 0.54 0.28 -1.26 -4.95 120.64 113.90 2kwc n GLU 73 Ca 0.16 0.12 -0.30 0.00 -0.16 0.00 0.00 57.16 56.98 2kwc n GLU 73 Cb 0.11 -1.68 0.25 0.00 1.43 0.00 0.00 31.44 31.55 2kwc n GLU 73 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kwc s LYS 74 N -2.74 -1.57 -0.28 3.44 -0.14 -1.01 -5.07 119.74 112.36 2kwc s LYS 74 Ca -0.06 -0.02 0.01 0.00 -1.36 0.00 0.00 55.97 54.53 2kwc s LYS 74 Cb 0.08 -1.55 0.18 0.00 -1.68 0.00 0.00 37.83 34.86 2kwc s LYS 74 CO 0.83 -3.95 0.53 0.00 -0.76 0.00 0.00 175.35 172.00 2kwc s ALA 75 N -2.86 -1.91 0.33 5.17 0.00 -1.26 -4.97 121.76 116.25 2kwc s ALA 75 Ca 0.70 1.27 0.08 0.00 0.00 0.00 0.00 51.96 54.02 2kwc s ALA 75 Cb -0.11 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 2kwc s ALA 75 CO 0.57 -1.48 0.23 -1.50 0.00 0.00 0.00 175.76 173.57 2kwc s ILE 76 N 2.75 3.47 -0.19 0.00 2.07 -1.26 -3.98 121.20 124.06 2kwc s ILE 76 Ca 0.15 -1.49 -0.15 0.00 -1.41 0.00 0.00 60.65 57.75 2kwc s ILE 76 Cb -0.14 -3.13 0.05 0.00 0.13 0.00 0.00 42.46 39.38 2kwc s ILE 76 CO -0.22 -0.20 0.49 -0.36 -1.91 0.00 0.00 174.94 172.73 2kwc s PHE 77 N -2.32 -0.60 0.10 3.50 0.40 0.16 -4.95 117.98 114.28 2kwc s PHE 77 Ca 0.39 1.38 -0.10 0.00 -0.60 0.00 0.00 56.93 57.99 2kwc s PHE 77 Cb -0.05 0.24 -0.06 0.00 0.51 0.00 0.00 43.02 43.66 2kwc s PHE 77 CO 0.25 -0.30 0.43 0.42 0.70 0.00 0.00 175.22 176.71 2kwc s ILE 78 N 0.66 5.06 -0.04 0.64 -1.09 -1.26 -0.86 121.20 124.31 2kwc s ILE 78 Ca -0.03 0.47 0.03 0.00 -2.23 0.00 0.00 60.65 58.89 2kwc s ILE 78 Cb -0.05 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 2kwc s ILE 78 CO -0.04 0.25 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.44 2kwc s PHE 79 N -1.45 1.25 -0.09 3.97 0.08 0.04 -4.49 117.98 117.29 2kwc s PHE 79 Ca 0.35 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 57.05 2kwc s PHE 79 Cb -0.14 -0.90 -0.01 0.00 -0.57 0.00 0.00 43.02 41.40 2kwc s PHE 79 CO 0.19 -0.17 -0.19 0.54 -0.10 0.00 0.00 175.22 175.48 2kwc s VAL 80 N 0.36 2.54 -1.42 -0.44 0.11 0.55 -0.27 120.40 121.83 2kwc s VAL 80 Ca -0.07 -0.87 -0.03 0.00 -2.93 0.00 0.00 61.98 58.08 2kwc s VAL 80 Cb -0.12 -2.00 0.02 0.00 -1.53 0.00 0.00 36.38 32.75 2kwc s VAL 80 CO 0.02 0.55 0.54 0.59 -3.33 0.00 0.00 175.10 173.47 2kwc n ASN 81 N 3.23 -1.03 -2.35 3.54 5.03 -1.20 0.14 115.26 122.61 2kwc n ASN 81 Ca -0.18 -0.96 -0.17 0.00 0.87 0.00 0.00 54.58 54.14 2kwc n ASN 81 Cb 0.53 -3.28 -0.01 0.00 -1.02 0.00 0.00 39.78 36.00 2kwc n ASN 81 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2kwc n ASP 82 N -2.96 -5.00 -2.37 6.41 -0.08 -1.26 -4.93 116.55 106.36 2kwc n ASP 82 Ca -0.25 0.10 -0.09 0.00 -1.51 0.00 0.00 54.79 53.04 2kwc n ASP 82 Cb 0.66 -4.22 -0.03 0.00 2.34 0.00 0.00 41.12 39.87 2kwc n ASP 82 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2kwc n THR 83 N -3.62 0.00 -3.69 5.18 5.66 0.36 -4.50 114.28 113.66 2kwc n THR 83 Ca -0.20 -0.88 -0.30 0.00 -3.05 0.00 0.00 64.05 59.63 2kwc n THR 83 Cb 0.65 0.31 -0.15 0.00 -1.55 0.00 0.00 70.33 69.59 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 1.83 0.80 1.09 0.20 -1.26 -0.33 118.68 121.00 2kwc s LEU 84 Ca 0.07 -1.52 -0.11 0.00 0.69 0.00 0.00 54.13 53.26 2kwc s LEU 84 Cb 0.00 -0.74 0.07 0.00 -0.43 0.00 0.00 46.19 45.09 2kwc s LEU 84 CO 0.05 -0.41 1.10 -2.16 -0.29 0.00 0.00 176.35 174.64 2kwc s PRO 85 N 1.73 2.10 0.73 0.98 0.04 -1.26 -4.98 135.00 134.34 2kwc s PRO 85 Ca 0.09 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 2kwc s PRO 85 Cb -0.17 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2kwc s PRO 85 CO -0.27 -1.61 1.07 -1.25 0.04 0.00 0.00 177.00 174.99 2kwc s PRO 86 N -5.16 2.66 0.00 0.56 0.04 -1.26 -4.94 135.00 126.90 2kwc s PRO 86 Ca 0.61 0.85 0.19 0.00 0.04 0.00 0.00 61.00 62.69 2kwc s PRO 86 Cb -0.14 -1.97 0.90 0.00 0.04 0.00 0.00 34.50 33.33 2kwc s PRO 86 CO 0.54 -1.27 1.61 -2.37 0.04 0.00 0.00 177.00 175.56 2kwc n THR 87 N -3.23 0.11 0.13 1.26 5.66 -1.26 -3.06 114.28 113.89 2kwc n THR 87 Ca 0.07 -0.18 0.04 0.00 -3.05 0.00 0.00 64.05 60.94 2kwc n THR 87 Cb 0.54 0.05 -0.06 0.00 -1.55 0.00 0.00 70.33 69.31 2kwc n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kwc n ALA 88 N -0.21 2.60 -1.71 1.79 0.00 -1.26 -2.80 120.51 118.91 2kwc n ALA 88 Ca 0.15 -0.23 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 2kwc n ALA 88 Cb 0.20 -0.31 0.03 0.00 0.00 0.00 0.00 19.45 19.36 2kwc n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kwc n ALA 89 N -1.62 1.36 -2.72 0.00 0.00 -1.17 -4.81 120.51 111.55 2kwc n ALA 89 Ca -0.01 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.25 2kwc n ALA 89 Cb 0.20 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 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 -2.48 4.26 0.39 0.00 2.96 -1.26 -1.72 118.68 120.84 2kwc s LEU 90 Ca 0.67 0.60 0.24 0.00 -0.22 0.00 0.00 54.13 55.41 2kwc s LEU 90 Cb -0.46 -2.45 1.31 0.00 0.50 0.00 0.00 46.19 45.09 2kwc s LEU 90 CO 0.53 0.09 1.72 0.24 -1.32 0.00 0.00 176.35 177.62 2kwc h MET 91 N 6.57 0.00 -0.01 1.98 2.86 -1.55 0.15 114.93 124.93 2kwc h MET 91 Ca -0.42 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.21 2kwc h MET 91 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2kwc h MET 91 CO 0.75 0.00 -0.06 0.66 1.06 0.00 0.00 176.91 179.32 2kwc h SER 92 N 0.00 0.06 0.51 1.22 4.64 -1.79 0.30 113.55 118.49 2kwc h SER 92 Ca 0.00 -0.70 -0.14 0.00 -0.47 0.00 0.00 61.79 60.47 2kwc h SER 92 Cb 0.13 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2kwc h SER 92 CO 0.00 0.76 -0.64 0.00 -0.87 0.00 0.00 176.83 176.08 2kwc h ALA 93 N 0.31 0.87 0.53 5.18 0.00 -1.56 -1.85 119.26 122.75 2kwc h ALA 93 Ca -0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2kwc h ALA 93 Cb 0.76 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2kwc h ALA 93 CO 0.01 0.77 -0.26 0.82 0.00 0.00 0.00 179.25 180.60 2kwc h ILE 94 N 0.09 0.00 0.00 0.00 1.08 -1.06 -2.71 117.51 114.90 2kwc h ILE 94 Ca -0.01 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 2kwc h ILE 94 Cb 1.14 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 2kwc h ILE 94 CO 0.09 0.00 0.05 0.22 -0.69 0.00 0.00 178.15 177.82 2kwc h TYR 95 N -1.07 0.00 -0.04 1.37 5.03 -0.99 1.51 116.97 122.78 2kwc h TYR 95 Ca -0.07 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 61.02 2kwc h TYR 95 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.83 2kwc h TYR 95 CO 0.02 0.00 -0.87 1.96 -1.32 0.00 0.00 178.16 177.95 2kwc h GLN 96 N 0.00 0.47 -0.01 1.82 4.20 -1.14 -2.39 115.11 118.06 2kwc h GLN 96 Ca 0.00 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2kwc h GLN 96 Cb 0.10 0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2kwc h GLN 96 CO 0.00 1.10 -0.04 0.39 -0.67 0.00 0.00 178.83 179.61 2kwc n GLU 97 N -3.80 0.79 -0.21 1.46 1.02 0.16 -4.37 120.64 115.69 2kwc n GLU 97 Ca -0.06 -1.06 0.09 0.00 -0.02 0.00 0.00 57.16 56.11 2kwc n GLU 97 Cb 0.79 -1.19 0.18 0.00 -0.02 0.00 0.00 31.44 31.20 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 0.47 0.35 -3.16 -0.32 8.25 0.49 -4.99 115.22 116.31 2kwc n HIS 98 Ca 0.06 -0.94 -0.39 0.00 -0.26 0.00 0.00 57.72 56.18 2kwc n HIS 98 Cb 0.27 -0.21 -0.06 0.00 1.12 0.00 0.00 29.99 31.11 2kwc n HIS 98 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2kwc s LYS 99 N -2.82 4.32 0.67 -0.41 2.36 -0.90 -4.31 119.74 118.65 2kwc s LYS 99 Ca 0.35 0.64 0.05 0.00 -2.55 0.00 0.00 55.97 54.46 2kwc s LYS 99 Cb 0.30 -3.49 0.12 0.00 -1.05 0.00 0.00 37.83 33.71 2kwc s LYS 99 CO 0.05 -0.02 0.92 -0.51 1.55 0.00 0.00 175.35 177.35 2kwc s ASP 100 N 0.89 4.62 0.37 1.43 -0.00 -1.11 -4.95 116.67 117.92 2kwc s ASP 100 Ca 0.30 -0.72 0.10 0.00 -0.00 0.00 0.00 52.55 52.23 2kwc s ASP 100 Cb -0.16 0.34 0.74 0.00 -0.00 0.00 0.00 42.92 43.84 2kwc s ASP 100 CO 0.13 -1.70 1.87 0.11 -0.00 0.00 0.00 175.17 175.58 2kwc h LYS 101 N -0.24 0.20 0.00 8.23 1.57 -1.97 -0.61 116.57 123.75 2kwc h LYS 101 Ca -0.31 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2kwc h LYS 101 Cb 1.28 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2kwc h LYS 101 CO 0.39 0.40 0.00 -0.44 -0.57 0.00 0.00 179.45 179.23 2kwc h ASP 102 N 0.18 0.00 0.00 0.86 5.19 -1.94 -3.45 116.42 117.26 2kwc h ASP 102 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2kwc h ASP 102 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 2kwc h ASP 102 CO 0.03 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.76 2kwc n GLY 103 N -0.69 1.51 4.02 2.75 0.00 -0.24 -3.83 105.19 108.71 2kwc n GLY 103 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2kwc n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kwc s PHE 104 N -2.75 1.54 0.17 1.61 0.08 -1.26 -4.77 117.98 112.60 2kwc s PHE 104 Ca 0.00 -0.55 0.05 0.00 0.12 0.00 0.00 56.93 56.55 2kwc s PHE 104 Cb 0.00 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.92 2kwc s PHE 104 CO 0.00 -1.31 0.12 -0.51 -0.10 0.00 0.00 175.22 173.42 2kwc s LEU 105 N -4.81 3.73 -0.31 -0.37 2.01 -1.25 -2.76 118.68 114.92 2kwc s LEU 105 Ca 0.63 -0.17 0.03 0.00 0.01 0.00 0.00 54.13 54.63 2kwc s LEU 105 Cb -0.06 -2.34 0.09 0.00 0.01 0.00 0.00 46.19 43.88 2kwc s LEU 105 CO 0.40 0.07 -0.00 -0.31 1.01 0.00 0.00 176.35 177.52 2kwc s TYR 106 N -1.75 3.39 0.16 0.29 1.51 -1.26 -3.19 117.35 116.50 2kwc s TYR 106 Ca 0.30 -2.63 0.02 0.00 -1.01 0.00 0.00 57.07 53.75 2kwc s TYR 106 Cb -0.10 -2.46 -0.05 0.00 -0.11 0.00 0.00 41.96 39.25 2kwc s TYR 106 CO 0.23 -0.91 -0.01 0.54 -1.11 0.00 0.00 175.55 174.29 2kwc s VAL 107 N 1.04 0.67 -0.23 0.71 0.11 -1.12 -3.26 120.40 118.32 2kwc s VAL 107 Ca 0.04 -1.97 -0.07 0.00 -2.93 0.00 0.00 61.98 57.05 2kwc s VAL 107 Cb -0.19 -2.06 0.11 0.00 -1.53 0.00 0.00 36.38 32.71 2kwc s VAL 107 CO -0.08 -0.53 0.47 -0.89 -3.33 0.00 0.00 175.10 170.74 2kwc s THR 108 N -3.66 -0.73 0.16 5.04 2.01 0.63 -1.97 115.64 117.12 2kwc s THR 108 Ca 0.22 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.36 2kwc s THR 108 Cb 0.06 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 2kwc s THR 108 CO 0.03 0.03 0.25 -0.72 -0.69 0.00 0.00 174.62 173.52 2kwc s TYR 109 N 2.67 3.39 0.26 4.92 -0.85 -1.24 -0.78 117.35 125.72 2kwc s TYR 109 Ca 0.00 0.07 -0.16 0.00 -0.52 0.00 0.00 57.07 56.47 2kwc s TYR 109 Cb -0.13 -1.62 0.00 0.00 0.38 0.00 0.00 41.96 40.60 2kwc s TYR 109 CO -0.15 0.51 0.56 0.45 -1.52 0.00 0.00 175.55 175.41 2kwc s SER 110 N -3.23 -0.15 0.00 -0.18 0.15 -0.03 -2.66 113.70 107.59 2kwc s SER 110 Ca 0.34 -0.80 0.31 0.00 0.70 0.00 0.00 55.95 56.49 2kwc s SER 110 Cb -0.11 0.63 1.65 0.00 -1.71 0.00 0.00 66.02 66.49 2kwc s SER 110 CO 0.27 -1.21 2.10 0.61 1.20 0.00 0.00 173.24 176.22 2kwc n GLY 111 N -0.41 -1.04 3.87 9.45 0.00 -1.26 0.40 105.19 116.20 2kwc n GLY 111 Ca -0.03 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.25 2.69 -0.85 1.61 2.56 -1.26 -4.40 118.70 116.80 2kwc s GLU 112 Ca 0.39 -1.35 -0.00 0.00 0.00 0.00 0.00 54.97 54.00 2kwc s GLU 112 Cb 0.21 -2.47 0.34 0.00 2.00 0.00 0.00 34.13 34.22 2kwc s GLU 112 CO 0.41 0.00 1.75 -1.71 -0.56 0.00 0.00 175.26 175.16 2kwc n ASN 113 N -1.44 6.89 -4.84 -1.70 2.85 -1.26 -4.02 115.26 111.73 2kwc n ASN 113 Ca 0.00 -3.75 -0.22 0.00 -0.11 0.00 0.00 54.58 50.49 2kwc n ASN 113 Cb 0.60 -1.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.58 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 -4.78 2.46 -1.74 -0.44 -4.23 -1.26 -5.02 115.64 100.63 2kwc s THR 114 Ca 0.46 -1.45 0.26 0.00 -1.18 0.00 0.00 61.69 59.78 2kwc s THR 114 Cb 0.32 -2.91 0.22 0.00 1.34 0.00 0.00 72.50 71.47 2kwc s THR 114 CO -0.26 0.00 1.50 0.49 -0.54 0.00 0.00 174.62 175.81 2kwc n PHE 115 N -1.49 0.00 0.00 3.99 3.01 -1.26 -4.85 117.46 116.86 2kwc n PHE 115 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2kwc n PHE 115 Cb 0.63 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18