#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 -4.01 0.03 5.02 -1.26 -4.89 118.16 113.05 2kwc n LYS 2 Ca 0.00 0.20 -0.34 0.00 -2.02 0.00 0.00 58.31 56.16 2kwc n LYS 2 Cb 0.00 -0.64 -0.15 0.00 -0.02 0.00 0.00 35.03 34.22 2kwc n LYS 2 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2kwc s SER 3 N -2.61 4.30 0.00 4.39 0.15 -1.26 -4.94 113.70 113.73 2kwc s SER 3 Ca 0.00 -1.07 0.26 0.00 0.70 0.00 0.00 55.95 55.84 2kwc s SER 3 Cb 0.00 -1.61 0.71 0.00 -1.71 0.00 0.00 66.02 63.40 2kwc s SER 3 CO 0.00 -0.15 1.54 0.35 1.20 0.00 0.00 173.24 176.18 2kwc n THR 4 N 4.58 0.00 -0.11 6.45 -2.24 -1.26 -3.81 114.28 117.90 2kwc n THR 4 Ca -0.16 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 2kwc n THR 4 Cb 0.45 0.74 0.03 0.00 -2.10 0.00 0.00 70.33 69.45 2kwc n THR 4 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2kwc h PHE 5 N 2.50 1.01 0.06 4.78 0.04 -1.92 1.28 116.94 124.69 2kwc h PHE 5 Ca 0.00 -0.27 -0.29 0.00 2.80 0.00 0.00 57.97 60.21 2kwc h PHE 5 Cb 0.62 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 2kwc h PHE 5 CO 0.00 1.06 -1.55 1.57 -0.60 0.00 0.00 178.31 178.79 2kwc h LYS 6 N 0.73 0.12 0.01 1.51 5.09 -1.69 -2.44 116.57 119.90 2kwc h LYS 6 Ca 0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 60.65 60.62 2kwc h LYS 6 Cb 0.87 0.08 0.00 0.00 0.10 0.00 0.00 32.23 33.27 2kwc h LYS 6 CO 0.08 0.88 -0.00 1.03 -2.09 0.00 0.00 179.45 179.35 2kwc h SER 7 N 0.03 -0.01 -0.92 7.07 0.87 -1.64 -3.37 113.55 115.57 2kwc h SER 7 Ca -0.23 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.38 2kwc h SER 7 Cb 1.97 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.87 2kwc h SER 7 CO 0.12 0.16 0.59 -0.08 -0.53 0.00 0.00 176.83 177.09 2kwc h GLU 8 N -0.34 1.06 -5.69 2.24 4.57 0.14 -3.43 114.58 113.13 2kwc h GLU 8 Ca -0.00 -0.06 -0.55 0.00 -1.18 0.00 0.00 59.36 57.57 2kwc h GLU 8 Cb 0.01 -0.24 -0.14 0.00 -0.16 0.00 0.00 28.75 28.22 2kwc h GLU 8 CO 0.00 0.70 -0.68 0.71 -1.18 0.00 0.00 179.01 178.57 2kwc s TYR 9 N -6.06 2.14 0.76 0.92 2.02 -0.92 -5.02 117.35 111.19 2kwc s TYR 9 Ca -0.13 -0.61 -0.11 0.00 -0.37 0.00 0.00 57.07 55.85 2kwc s TYR 9 Cb 0.19 -1.22 0.05 0.00 -0.40 0.00 0.00 41.96 40.58 2kwc s TYR 9 CO 0.80 0.41 1.08 -1.25 -1.57 0.00 0.00 175.55 175.03 2kwc s PRO 10 N -3.68 2.40 0.33 -1.71 0.04 -1.24 -3.17 135.00 127.97 2kwc s PRO 10 Ca 0.31 0.76 0.14 0.00 0.04 0.00 0.00 61.00 62.25 2kwc s PRO 10 Cb 0.03 -1.94 0.55 0.00 0.04 0.00 0.00 34.50 33.17 2kwc s PRO 10 CO 0.14 -1.43 1.70 0.35 0.04 0.00 0.00 177.00 177.80 2kwc h PHE 11 N -0.95 0.00 -0.02 0.56 3.04 -1.81 -2.81 116.94 114.95 2kwc h PHE 11 Ca -0.46 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.38 2kwc h PHE 11 Cb 1.25 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.74 2kwc h PHE 11 CO 0.52 0.49 -0.50 0.93 -2.02 0.00 0.00 178.31 177.73 2kwc h GLU 12 N 0.00 0.04 0.24 1.11 5.08 -1.95 -3.09 114.58 116.01 2kwc h GLU 12 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2kwc h GLU 12 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2kwc h GLU 12 CO 0.06 0.53 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.22 2kwc h LYS 13 N 0.04 -0.37 -0.93 2.33 1.63 -1.88 0.37 116.57 117.77 2kwc h LYS 13 Ca -0.00 0.03 0.26 0.00 -0.85 0.00 0.00 60.65 60.09 2kwc h LYS 13 Cb 0.89 0.08 -0.16 0.00 -0.60 0.00 0.00 32.23 32.44 2kwc h LYS 13 CO 0.07 -0.25 0.15 -0.09 -3.45 0.00 0.00 179.45 175.88 2kwc h ARG 14 N -0.38 0.09 -0.69 1.90 9.65 -1.62 1.35 114.38 124.67 2kwc h ARG 14 Ca -0.03 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 2kwc h ARG 14 Cb 0.31 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 2kwc h ARG 14 CO 0.02 0.06 0.38 -0.22 2.80 0.00 0.00 179.97 183.01 2kwc h LYS 15 N 0.09 0.97 0.28 0.20 3.64 -1.38 -2.82 116.57 117.55 2kwc h LYS 15 Ca 0.59 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.85 2kwc h LYS 15 Cb 1.24 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 2kwc h LYS 15 CO -0.78 0.72 -0.43 0.00 -2.27 0.00 0.00 179.45 176.68 2kwc h ALA 16 N 1.19 -1.02 -0.95 5.00 0.00 0.60 -1.72 119.26 122.37 2kwc h ALA 16 Ca 0.24 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.19 2kwc h ALA 16 Cb 0.04 0.73 -0.16 0.00 0.00 0.00 0.00 17.79 18.40 2kwc h ALA 16 CO -0.04 -1.08 -0.32 -1.91 0.00 0.00 0.00 179.25 175.90 2kwc n GLU 17 N -4.97 -0.17 -0.22 0.00 4.07 -0.45 0.17 120.64 119.06 2kwc n GLU 17 Ca -0.09 1.47 0.03 0.00 -0.06 0.00 0.00 57.16 58.51 2kwc n GLU 17 Cb 0.37 -2.18 0.14 0.00 -0.06 0.00 0.00 31.44 29.70 2kwc n GLU 17 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 2kwc h SER 18 N 0.00 0.09 -0.29 4.31 0.02 -1.15 0.64 113.55 117.16 2kwc h SER 18 Ca 0.38 0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.53 2kwc h SER 18 Cb 0.62 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2kwc h SER 18 CO -0.96 0.03 0.28 -0.33 -1.14 0.00 0.00 176.83 174.72 2kwc h GLU 19 N 0.32 0.00 0.10 3.45 5.08 0.26 0.52 114.58 124.31 2kwc h GLU 19 Ca 0.36 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.45 2kwc h GLU 19 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2kwc h GLU 19 CO -0.42 0.00 -1.19 0.00 -1.00 0.00 0.00 179.01 176.40 2kwc h ARG 20 N 0.00 0.22 0.00 2.33 3.08 0.99 -2.30 114.38 118.71 2kwc h ARG 20 Ca 0.14 -0.38 -0.14 0.00 0.07 0.00 0.00 59.98 59.67 2kwc h ARG 20 Cb 0.70 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 2kwc h ARG 20 CO -0.00 1.18 -0.66 0.82 -1.07 0.00 0.00 179.97 180.24 2kwc h ILE 21 N 0.06 1.24 0.00 2.04 2.04 0.56 0.12 117.51 123.57 2kwc h ILE 21 Ca -0.11 -2.46 -0.04 0.00 1.00 0.00 0.00 64.86 63.25 2kwc h ILE 21 Cb 1.93 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 40.42 2kwc h ILE 21 CO 0.19 0.64 -0.21 0.00 0.00 0.00 0.00 178.15 178.78 2kwc h ALA 22 N 1.34 0.87 0.00 1.87 0.00 -0.17 0.93 119.26 124.10 2kwc h ALA 22 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kwc h ALA 22 Cb 1.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2kwc h ALA 22 CO 0.09 0.26 -1.26 -3.47 0.00 0.00 0.00 179.25 174.86 2kwc n ASP 23 N -3.15 0.55 -0.03 0.00 4.64 -0.87 -3.89 116.55 113.80 2kwc n ASP 23 Ca 0.03 0.05 -0.04 0.00 -1.38 0.00 0.00 54.79 53.46 2kwc n ASP 23 Cb 0.61 0.96 -0.01 0.00 -1.04 0.00 0.00 41.12 41.65 2kwc n ASP 23 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2kwc n ARG 24 N -2.31 0.21 -3.67 -0.67 0.00 0.02 -4.87 116.66 105.36 2kwc n ARG 24 Ca -0.00 0.08 -0.27 0.00 -0.00 0.00 0.00 57.85 57.66 2kwc n ARG 24 Cb 0.51 -0.81 -0.10 0.00 0.00 0.00 0.00 32.46 32.06 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 -3.42 3.05 1.44 -0.14 3.72 0.32 -4.87 117.46 117.55 2kwc n PHE 25 Ca -0.06 -4.18 0.12 0.00 -0.05 0.00 0.00 57.45 53.28 2kwc n PHE 25 Cb 0.21 -0.54 0.69 0.00 -0.94 0.00 0.00 39.48 38.89 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 1.58 0.69 -0.48 -1.08 -0.04 -0.83 -2.08 135.00 132.75 2kwc n PRO 26 Ca 0.24 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 2kwc n PRO 26 Cb 0.39 -1.50 0.33 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 -1.04 4.30 -4.27 3.54 3.02 -1.26 -4.94 115.26 114.61 2kwc n ASN 27 Ca 0.17 -2.25 -0.22 0.00 -0.03 0.00 0.00 54.58 52.25 2kwc n ASN 27 Cb 0.10 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.73 2kwc n ASN 27 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kwc n ARG 28 N 1.27 0.87 -3.37 3.52 5.12 -0.88 -3.37 116.66 119.81 2kwc n ARG 28 Ca 0.24 -2.84 -0.18 0.00 -1.93 0.00 0.00 57.85 53.14 2kwc n ARG 28 Cb 0.75 0.42 -0.08 0.00 -1.16 0.00 0.00 32.46 32.38 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 -2.28 -0.27 -0.61 0.55 1.01 0.51 -4.74 121.20 115.36 2kwc s ILE 29 Ca 0.19 -1.07 -0.27 0.00 0.00 0.00 0.00 60.65 59.50 2kwc s ILE 29 Cb -0.02 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.72 2kwc s ILE 29 CO 0.12 -0.63 1.53 -2.16 0.00 0.00 0.00 174.94 173.80 2kwc s PRO 30 N 1.41 3.07 0.38 2.79 0.04 -1.26 -2.27 135.00 139.15 2kwc s PRO 30 Ca 0.17 0.36 -0.09 0.00 0.04 0.00 0.00 61.00 61.47 2kwc s PRO 30 Cb -0.16 -4.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.09 2kwc s PRO 30 CO -0.04 -2.23 0.72 0.54 0.04 0.00 0.00 177.00 176.03 2kwc s VAL 31 N 6.93 4.83 -0.39 -0.36 0.11 0.31 -3.33 120.40 128.50 2kwc s VAL 31 Ca 0.53 0.51 0.01 0.00 -2.93 0.00 0.00 61.98 60.10 2kwc s VAL 31 Cb -0.11 -3.73 0.13 0.00 -1.53 0.00 0.00 36.38 31.14 2kwc s VAL 31 CO 0.21 -0.47 0.20 -0.63 -3.33 0.00 0.00 175.10 171.09 2kwc s ILE 32 N -2.30 0.93 0.40 7.04 -1.09 -0.98 -3.23 121.20 121.98 2kwc s ILE 32 Ca 0.50 -2.07 -0.06 0.00 -2.23 0.00 0.00 60.65 56.79 2kwc s ILE 32 Cb -0.10 -1.67 -0.05 0.00 -1.58 0.00 0.00 42.46 39.06 2kwc s ILE 32 CO 0.31 -0.88 0.70 0.00 -1.23 0.00 0.00 174.94 173.84 2kwc s GLU 34 N -4.19 0.47 0.19 0.00 2.02 -0.81 -4.64 118.70 111.73 2kwc s GLU 34 Ca 0.47 0.16 -0.29 0.00 0.02 0.00 0.00 54.97 55.33 2kwc s GLU 34 Cb -0.10 -0.88 -0.17 0.00 0.10 0.00 0.00 34.13 33.08 2kwc s GLU 34 CO 0.37 -0.31 0.57 1.17 0.02 0.00 0.00 175.26 177.08 2kwc n LYS 35 N 5.18 0.03 -3.38 1.61 3.00 -1.26 -4.24 118.16 119.10 2kwc n LYS 35 Ca -0.06 0.01 -0.43 0.00 -0.00 0.00 0.00 58.31 57.83 2kwc n LYS 35 Cb 0.50 -1.06 -0.09 0.00 0.00 0.00 0.00 35.03 34.38 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 -0.92 3.46 0.46 3.14 0.00 -1.24 -4.93 121.76 121.74 2kwc s ALA 36 Ca 0.66 -1.66 0.28 0.00 0.00 0.00 0.00 51.96 51.24 2kwc s ALA 36 Cb -0.95 -2.99 1.34 0.00 0.00 0.00 0.00 23.12 20.51 2kwc s ALA 36 CO 0.56 -1.56 1.76 1.05 0.00 0.00 0.00 175.76 177.57 2kwc h GLU 37 N 8.70 0.19 -0.75 0.00 4.11 -1.94 0.81 114.58 125.69 2kwc h GLU 37 Ca -0.27 -0.01 0.05 0.00 0.07 0.00 0.00 59.36 59.20 2kwc h GLU 37 Cb 1.11 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 2kwc h GLU 37 CO 0.78 0.12 0.45 0.87 0.07 0.00 0.00 179.01 181.30 2kwc h LYS 38 N 0.19 0.82 -6.96 1.06 1.79 -1.99 -3.43 116.57 108.06 2kwc h LYS 38 Ca 0.62 -0.05 -0.46 0.00 -2.18 0.00 0.00 60.65 58.58 2kwc h LYS 38 Cb 1.99 -0.19 0.22 0.00 -1.58 0.00 0.00 32.23 32.68 2kwc h LYS 38 CO -0.19 0.54 -0.40 0.43 -1.08 0.00 0.00 179.45 178.75 2kwc n SER 39 N -4.69 -1.80 -0.06 0.86 7.64 0.28 -4.95 113.62 110.91 2kwc n SER 39 Ca 0.10 -0.05 0.03 0.00 1.01 0.00 0.00 58.87 59.95 2kwc n SER 39 Cb 0.15 -1.17 0.04 0.00 -1.01 0.00 0.00 64.21 62.21 2kwc n SER 39 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kwc n ASP 40 N -3.48 1.64 -4.87 6.43 4.64 -1.26 -4.98 116.55 114.67 2kwc n ASP 40 Ca 0.03 -2.16 -0.31 0.00 -1.38 0.00 0.00 54.79 50.98 2kwc n ASP 40 Cb 0.56 -0.14 0.03 0.00 -1.04 0.00 0.00 41.12 40.54 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 2kwc s ILE 41 N -1.30 4.17 0.18 5.18 -4.36 -1.26 -5.02 121.20 118.79 2kwc s ILE 41 Ca 0.09 0.70 -0.30 0.00 -0.26 0.00 0.00 60.65 60.88 2kwc s ILE 41 Cb 0.08 -3.66 -0.08 0.00 1.25 0.00 0.00 42.46 40.05 2kwc s ILE 41 CO 0.01 -0.92 1.12 -2.16 0.24 0.00 0.00 174.94 173.22 2kwc s PRO 42 N -5.23 4.57 0.97 0.37 0.04 -1.26 -5.00 135.00 129.47 2kwc s PRO 42 Ca 0.57 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.23 2kwc s PRO 42 Cb -0.11 -3.27 0.10 0.00 0.04 0.00 0.00 34.50 31.26 2kwc s PRO 42 CO 0.53 0.04 0.67 -1.91 0.04 0.00 0.00 177.00 176.38 2kwc n GLU 43 N 2.40 -0.65 -2.07 4.56 2.13 -1.26 -4.95 120.64 120.81 2kwc n GLU 43 Ca 0.03 -0.14 -0.06 0.00 0.66 0.00 0.00 57.16 57.64 2kwc n GLU 43 Cb 0.46 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.12 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 -4.02 0.00 -0.06 6.31 -5.35 -1.26 -4.99 119.36 109.99 2kwc n ILE 44 Ca 0.08 -0.54 -0.06 0.00 -0.27 0.00 0.00 62.75 61.96 2kwc n ILE 44 Cb 0.54 -0.39 -0.05 0.00 -1.74 0.00 0.00 39.64 37.99 2kwc n ILE 44 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2kwc h ASP 45 N 0.16 0.00 -5.02 7.28 3.45 -1.96 -3.49 116.42 116.85 2kwc h ASP 45 Ca -0.09 -0.41 -0.02 0.00 0.43 0.00 0.00 57.03 56.94 2kwc h ASP 45 Cb 0.31 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 38.97 2kwc h ASP 45 CO 0.13 0.71 0.16 -1.59 -1.57 0.00 0.00 179.24 177.09 2kwc s LYS 46 N -1.84 1.29 -0.46 3.56 0.00 -1.26 -5.12 119.74 115.91 2kwc s LYS 46 Ca -0.08 -0.56 -0.10 0.00 0.00 0.00 0.00 55.97 55.23 2kwc s LYS 46 Cb -0.01 0.57 0.10 0.00 0.00 0.00 0.00 37.83 38.49 2kwc s LYS 46 CO 0.29 -0.56 0.34 1.03 0.00 0.00 0.00 175.35 176.45 2kwc s ARG 47 N -3.78 2.60 -0.29 1.78 3.00 -1.26 -5.00 118.95 116.00 2kwc s ARG 47 Ca 0.02 -1.64 -0.02 0.00 0.00 0.00 0.00 55.73 54.10 2kwc s ARG 47 Cb -0.01 -3.93 0.18 0.00 0.00 0.00 0.00 34.95 31.19 2kwc s ARG 47 CO -0.11 -1.12 0.57 0.21 0.00 0.00 0.00 175.30 174.85 2kwc s LYS 48 N 1.42 0.54 -0.05 3.54 2.20 -1.26 -4.62 119.74 121.51 2kwc s LYS 48 Ca 0.04 0.98 -0.01 0.00 -0.36 0.00 0.00 55.97 56.62 2kwc s LYS 48 Cb -0.25 0.44 0.03 0.00 -1.51 0.00 0.00 37.83 36.53 2kwc s LYS 48 CO 0.01 -0.59 0.00 0.71 -0.36 0.00 0.00 175.35 175.12 2kwc s TYR 49 N 2.82 0.52 -0.43 4.03 2.02 -1.20 -5.04 117.35 120.06 2kwc s TYR 49 Ca 0.18 -0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 56.74 2kwc s TYR 49 Cb -0.15 -0.64 0.11 0.00 -0.40 0.00 0.00 41.96 40.88 2kwc s TYR 49 CO -0.20 -0.24 0.27 -0.51 -1.57 0.00 0.00 175.55 173.30 2kwc s LEU 50 N 1.60 5.39 0.13 -1.29 1.43 -1.26 -0.53 118.68 124.15 2kwc s LEU 50 Ca -0.01 -1.87 0.06 0.00 -1.03 0.00 0.00 54.13 51.27 2kwc s LEU 50 Cb -0.13 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2kwc s LEU 50 CO -0.03 -0.60 0.01 0.68 0.23 0.00 0.00 176.35 176.64 2kwc s VAL 51 N 1.28 3.90 0.98 -1.59 -7.23 -0.96 -4.84 120.40 111.94 2kwc s VAL 51 Ca 0.06 -1.20 -0.14 0.00 -1.81 0.00 0.00 61.98 58.88 2kwc s VAL 51 Cb -0.24 -2.91 0.18 0.00 0.56 0.00 0.00 36.38 33.96 2kwc s VAL 51 CO -0.02 -0.00 1.17 -2.16 -0.31 0.00 0.00 175.10 173.78 2kwc s PRO 52 N -2.66 0.56 -0.09 4.82 0.04 -1.26 0.19 135.00 136.60 2kwc s PRO 52 Ca 0.27 0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.45 2kwc s PRO 52 Cb -0.10 -1.79 0.36 0.00 0.04 0.00 0.00 34.50 33.01 2kwc s PRO 52 CO 0.19 -2.55 1.12 0.00 0.04 0.00 0.00 177.00 175.79 2kwc n ALA 53 N -3.97 2.99 -0.23 8.56 0.00 -1.22 -3.12 120.51 123.53 2kwc n ALA 53 Ca 0.10 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.72 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 0.34 0.92 -4.90 0.00 9.92 -1.26 -4.29 116.55 117.28 2kwc n ASP 54 Ca 0.13 -1.15 -0.29 0.00 -0.53 0.00 0.00 54.79 52.94 2kwc n ASP 54 Cb 0.60 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.05 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2kwc s LEU 55 N -0.15 4.08 0.26 0.64 0.20 -1.18 -4.99 118.68 117.53 2kwc s LEU 55 Ca 0.00 0.73 0.06 0.00 0.69 0.00 0.00 54.13 55.60 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 -0.18 0.35 0.42 -0.29 0.00 0.00 176.35 176.65 2kwc s THR 56 N -2.05 4.95 0.12 3.68 -4.23 -1.26 -1.84 115.64 115.01 2kwc s THR 56 Ca 0.44 -1.06 -0.24 0.00 -1.18 0.00 0.00 61.69 59.65 2kwc s THR 56 Cb -0.11 -3.72 -0.06 0.00 1.34 0.00 0.00 72.50 69.95 2kwc s THR 56 CO 0.29 -0.31 1.67 0.58 -0.54 0.00 0.00 174.62 176.31 2kwc h VAL 57 N 1.18 0.60 -0.99 2.29 2.07 -1.25 -1.62 116.25 118.53 2kwc h VAL 57 Ca -0.51 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.36 2kwc h VAL 57 Cb 1.24 0.60 -0.18 0.00 -1.52 0.00 0.00 31.29 31.43 2kwc h VAL 57 CO 0.60 0.00 0.32 1.23 0.02 0.00 0.00 177.57 179.73 2kwc h GLY 58 N -0.26 1.80 0.74 2.17 0.00 -1.70 1.45 103.07 107.26 2kwc h GLY 58 Ca 0.06 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.42 2kwc h GLY 58 CO -0.16 -0.65 0.43 1.46 0.00 0.00 0.00 176.54 177.62 2kwc h GLN 59 N 0.03 0.78 0.85 4.80 4.20 -1.56 -2.76 115.11 121.45 2kwc h GLN 59 Ca 0.73 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 59.35 2kwc h GLN 59 Cb 1.74 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 29.36 2kwc h GLN 59 CO -0.82 0.52 -0.41 0.35 -0.67 0.00 0.00 178.83 177.80 2kwc h PHE 60 N 0.80 -1.05 -1.93 2.96 3.57 0.21 -1.74 116.94 119.76 2kwc h PHE 60 Ca 0.32 -0.02 0.56 0.00 3.53 0.00 0.00 57.97 62.35 2kwc h PHE 60 Cb 0.14 0.35 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 2kwc h PHE 60 CO -0.06 -0.65 1.40 0.28 -2.23 0.00 0.00 178.31 177.06 2kwc h VAL 61 N -1.20 0.02 0.02 1.41 2.07 -1.15 1.44 116.25 118.86 2kwc h VAL 61 Ca -0.12 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 2kwc h VAL 61 Cb 0.88 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2kwc h VAL 61 CO 0.19 0.00 -0.21 0.22 0.02 0.00 0.00 177.57 177.79 2kwc h TYR 62 N 0.00 0.17 -0.84 1.57 5.03 -1.11 -2.82 116.97 118.97 2kwc h TYR 62 Ca 0.92 -0.11 0.21 0.00 2.58 0.00 0.00 58.73 62.33 2kwc h TYR 62 Cb 3.71 -0.01 -0.14 0.00 1.55 0.00 0.00 36.73 41.84 2kwc h TYR 62 CO 0.00 0.98 0.18 -0.24 -1.32 0.00 0.00 178.16 177.77 2kwc h VAL 63 N -0.69 0.34 0.10 1.81 3.04 0.28 0.25 116.25 121.38 2kwc h VAL 63 Ca -0.03 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 2kwc h VAL 63 Cb 1.06 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2kwc h VAL 63 CO 0.04 0.04 -0.05 0.40 -1.01 0.00 0.00 177.57 176.99 2kwc h ILE 64 N 0.19 1.01 -0.63 3.17 5.03 -1.44 -1.94 117.51 122.91 2kwc h ILE 64 Ca 0.51 -0.43 0.18 0.00 -0.12 0.00 0.00 64.86 65.00 2kwc h ILE 64 Cb 0.99 1.29 -0.03 0.00 -3.03 0.00 0.00 36.82 36.04 2kwc h ILE 64 CO -0.65 0.10 0.84 -0.09 -0.68 0.00 0.00 178.15 177.67 2kwc h ARG 65 N -0.33 0.00 0.00 2.37 2.43 -0.28 0.66 114.38 119.22 2kwc h ARG 65 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2kwc h ARG 65 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2kwc h ARG 65 CO 0.02 0.00 -0.00 0.87 -1.51 0.00 0.00 179.97 179.35 2kwc h LYS 66 N 0.00 -0.00 -0.47 0.20 6.56 -0.49 1.55 116.57 123.92 2kwc h LYS 66 Ca 0.30 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 60.03 2kwc h LYS 66 Cb 1.97 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.61 2kwc h LYS 66 CO -0.00 0.90 0.40 0.00 -2.06 0.00 0.00 179.45 178.68 2kwc h ARG 67 N -1.00 0.00 0.00 3.15 2.47 0.64 0.21 114.38 119.86 2kwc h ARG 67 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kwc h ARG 67 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 2kwc h ARG 67 CO 0.00 0.00 -1.05 0.44 0.56 0.00 0.00 179.97 179.92 2kwc n ILE 68 N -4.09 0.00 -4.27 2.04 -5.35 -0.21 -4.80 119.36 102.68 2kwc n ILE 68 Ca 0.09 -0.24 -0.32 0.00 -0.27 0.00 0.00 62.75 62.00 2kwc n ILE 68 Cb 0.60 0.66 -0.07 0.00 -1.74 0.00 0.00 39.64 39.09 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 -1.60 -1.62 -0.86 6.28 0.00 0.52 -4.88 117.12 114.96 2kwc n MET 69 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 57.70 57.60 2kwc n MET 69 Cb 0.28 -4.14 0.18 0.00 0.00 0.00 0.00 33.22 29.53 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 -7.26 2.01 0.85 3.17 1.02 -0.80 -5.00 118.68 112.66 2kwc s LEU 70 Ca 0.23 1.71 -0.12 0.00 0.02 0.00 0.00 54.13 55.97 2kwc s LEU 70 Cb -0.13 -3.97 0.10 0.00 0.02 0.00 0.00 46.19 42.22 2kwc s LEU 70 CO 0.97 -3.24 1.12 -2.16 0.02 0.00 0.00 176.35 173.06 2kwc s PRO 71 N -4.71 1.62 0.00 1.29 0.04 -1.26 -4.92 135.00 127.06 2kwc s PRO 71 Ca 0.66 0.46 0.24 0.00 0.04 0.00 0.00 61.00 62.40 2kwc s PRO 71 Cb -0.21 -1.88 1.42 0.00 0.04 0.00 0.00 34.50 33.86 2kwc s PRO 71 CO 0.60 -1.91 1.78 -0.35 0.04 0.00 0.00 177.00 177.17 2kwc n PRO 72 N -3.60 0.75 -0.07 0.56 -0.04 -1.26 -2.69 135.00 128.66 2kwc n PRO 72 Ca 0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 2kwc n PRO 72 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2kwc n PRO 72 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kwc n GLU 73 N -1.00 0.69 -0.71 0.54 1.02 -1.26 -4.96 120.64 114.96 2kwc n GLU 73 Ca 0.18 0.18 -0.29 0.00 -0.02 0.00 0.00 57.16 57.20 2kwc n GLU 73 Cb 0.08 -1.62 0.25 0.00 -0.02 0.00 0.00 31.44 30.13 2kwc n GLU 73 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kwc s LYS 74 N -2.54 -1.25 -0.26 3.49 1.02 -1.09 -5.05 119.74 114.05 2kwc s LYS 74 Ca -0.21 0.44 -0.02 0.00 0.02 0.00 0.00 55.97 56.20 2kwc s LYS 74 Cb 0.08 -1.55 0.15 0.00 -0.52 0.00 0.00 37.83 35.98 2kwc s LYS 74 CO 0.73 -3.84 0.42 0.00 -0.92 0.00 0.00 175.35 171.74 2kwc s ALA 75 N -2.60 -1.30 0.24 5.17 0.00 -1.26 -4.94 121.76 117.06 2kwc s ALA 75 Ca 0.68 0.96 0.04 0.00 0.00 0.00 0.00 51.96 53.64 2kwc s ALA 75 Cb -0.19 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 2kwc s ALA 75 CO 0.60 -1.35 0.37 -1.50 0.00 0.00 0.00 175.76 173.88 2kwc s ILE 76 N 2.60 5.25 -0.12 0.00 2.07 -1.26 -3.91 121.20 125.83 2kwc s ILE 76 Ca 0.13 -0.88 -0.10 0.00 -1.41 0.00 0.00 60.65 58.39 2kwc s ILE 76 Cb -0.15 -3.84 0.03 0.00 0.13 0.00 0.00 42.46 38.63 2kwc s ILE 76 CO -0.19 -0.32 0.31 -0.36 -1.91 0.00 0.00 174.94 172.47 2kwc s PHE 77 N -1.98 -0.36 0.22 3.50 0.08 0.10 -4.97 117.98 114.57 2kwc s PHE 77 Ca 0.35 0.86 -0.05 0.00 0.12 0.00 0.00 56.93 58.20 2kwc s PHE 77 Cb -0.09 0.12 -0.06 0.00 -0.57 0.00 0.00 43.02 42.42 2kwc s PHE 77 CO 0.30 -0.19 0.47 0.42 -0.10 0.00 0.00 175.22 176.12 2kwc s ILE 78 N 0.41 5.08 -0.00 0.64 -1.09 -1.26 -1.52 121.20 123.45 2kwc s ILE 78 Ca -0.02 0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 2kwc s ILE 78 Cb -0.04 -3.67 -0.00 0.00 -1.58 0.00 0.00 42.46 37.17 2kwc s ILE 78 CO -0.02 -0.13 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.16 2kwc s PHE 79 N -1.86 0.39 -0.11 3.97 0.08 0.23 -4.59 117.98 116.10 2kwc s PHE 79 Ca 0.43 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.41 2kwc s PHE 79 Cb -0.11 -0.25 0.02 0.00 -0.57 0.00 0.00 43.02 42.11 2kwc s PHE 79 CO 0.26 -0.01 -0.13 0.14 -0.10 0.00 0.00 175.22 175.38 2kwc s VAL 80 N -0.13 1.35 -1.36 -0.44 -7.23 0.01 -0.18 120.40 112.43 2kwc s VAL 80 Ca 0.01 -0.53 -0.08 0.00 -1.81 0.00 0.00 61.98 59.57 2kwc s VAL 80 Cb -0.02 -1.27 0.02 0.00 0.56 0.00 0.00 36.38 35.67 2kwc s VAL 80 CO -0.00 0.42 1.13 0.59 -0.31 0.00 0.00 175.10 176.93 2kwc n ASN 81 N 4.42 -5.57 -2.36 4.85 5.03 -1.26 -0.74 115.26 119.65 2kwc n ASN 81 Ca -0.18 -0.58 -0.20 0.00 0.87 0.00 0.00 54.58 54.49 2kwc n ASN 81 Cb 0.51 -4.90 -0.00 0.00 -1.02 0.00 0.00 39.78 34.36 2kwc n ASN 81 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kwc n ASP 82 N -3.01 -5.70 -4.25 6.41 9.92 -1.26 -4.97 116.55 113.69 2kwc n ASP 82 Ca -0.03 -0.06 -0.26 0.00 -0.53 0.00 0.00 54.79 53.91 2kwc n ASP 82 Cb 0.57 -4.69 -0.09 0.00 -0.64 0.00 0.00 41.12 36.27 2kwc n ASP 82 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2kwc s THR 83 N -3.01 0.77 -0.35 -3.53 -1.32 0.08 -4.66 115.64 103.62 2kwc s THR 83 Ca 0.05 -2.00 -0.00 0.00 -1.21 0.00 0.00 61.69 58.53 2kwc s THR 83 Cb -0.02 -2.42 0.12 0.00 -1.51 0.00 0.00 72.50 68.66 2kwc s THR 83 CO 0.06 0.00 0.16 -0.22 -2.21 0.00 0.00 174.62 172.41 2kwc s LEU 84 N -3.61 2.03 0.84 9.08 0.20 -1.26 -0.81 118.68 125.15 2kwc s LEU 84 Ca 0.25 -1.97 -0.12 0.00 0.69 0.00 0.00 54.13 52.98 2kwc s LEU 84 Cb 0.04 -0.80 0.10 0.00 -0.43 0.00 0.00 46.19 45.09 2kwc s LEU 84 CO 0.14 -0.36 1.11 -2.16 -0.29 0.00 0.00 176.35 174.79 2kwc s PRO 85 N 1.22 1.73 0.64 0.98 0.04 -1.26 -5.03 135.00 133.31 2kwc s PRO 85 Ca 0.13 0.51 -0.13 0.00 0.04 0.00 0.00 61.00 61.54 2kwc s PRO 85 Cb -0.20 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2kwc s PRO 85 CO -0.15 -1.84 1.05 -1.25 0.04 0.00 0.00 177.00 174.86 2kwc s PRO 86 N -5.20 3.18 0.22 0.56 0.04 -1.26 -4.94 135.00 127.59 2kwc s PRO 86 Ca 0.62 1.07 0.24 0.00 0.04 0.00 0.00 61.00 62.97 2kwc s PRO 86 Cb -0.15 -2.02 0.91 0.00 0.04 0.00 0.00 34.50 33.29 2kwc s PRO 86 CO 0.54 -0.92 1.73 -2.37 0.04 0.00 0.00 177.00 176.03 2kwc n THR 87 N -2.54 0.71 0.05 1.26 5.66 -1.26 -2.34 114.28 115.83 2kwc n THR 87 Ca 0.08 0.03 -0.02 0.00 -3.05 0.00 0.00 64.05 61.09 2kwc n THR 87 Cb 0.53 -0.91 -0.07 0.00 -1.55 0.00 0.00 70.33 68.33 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 2.40 0.65 -1.84 1.79 0.00 -1.96 -2.51 119.26 117.80 2kwc h ALA 88 Ca 0.00 -0.86 -0.63 0.00 0.00 0.00 0.00 54.91 53.41 2kwc h ALA 88 Cb 0.51 0.19 0.09 0.00 0.00 0.00 0.00 17.79 18.58 2kwc h ALA 88 CO 0.00 0.99 0.24 0.00 0.00 0.00 0.00 179.25 180.48 2kwc n ALA 89 N -2.38 -0.52 -2.54 0.00 0.00 -0.99 -4.71 120.51 109.37 2kwc n ALA 89 Ca -0.07 0.44 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 2kwc n ALA 89 Cb 0.86 -2.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.22 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 0.61 4.39 0.20 0.00 2.96 -1.26 -1.70 118.68 123.88 2kwc s LEU 90 Ca 0.69 1.29 0.15 0.00 -0.22 0.00 0.00 54.13 56.03 2kwc s LEU 90 Cb -0.80 -3.11 0.76 0.00 0.50 0.00 0.00 46.19 43.55 2kwc s LEU 90 CO 0.54 -0.02 1.45 0.23 -1.32 0.00 0.00 176.35 177.23 2kwc n MET 91 N 3.16 0.09 0.01 1.98 2.81 -0.77 -0.26 117.12 124.15 2kwc n MET 91 Ca -0.03 0.56 -0.19 0.00 -1.81 0.00 0.00 57.70 56.23 2kwc n MET 91 Cb 0.51 -1.79 -0.14 0.00 -0.71 0.00 0.00 33.22 31.09 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 0.33 0.67 7.83 4.64 -1.80 -2.00 113.55 123.22 2kwc h SER 92 Ca 0.00 -0.94 -0.19 0.00 -0.47 0.00 0.00 61.79 60.20 2kwc h SER 92 Cb 0.04 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2kwc h SER 92 CO 0.00 1.33 -0.86 0.00 -0.87 0.00 0.00 176.83 176.43 2kwc h ALA 93 N 0.02 0.56 0.60 5.18 0.00 -1.61 -1.60 119.26 122.41 2kwc h ALA 93 Ca -0.14 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.01 2kwc h ALA 93 Cb 1.50 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.20 2kwc h ALA 93 CO 0.09 0.96 -0.29 0.82 0.00 0.00 0.00 179.25 180.83 2kwc h ILE 94 N 0.07 0.00 0.00 0.00 1.08 -0.74 -2.69 117.51 115.22 2kwc h ILE 94 Ca -0.03 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 2kwc h ILE 94 Cb 1.49 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.24 2kwc h ILE 94 CO 0.12 0.00 -0.01 0.22 -0.69 0.00 0.00 178.15 177.79 2kwc h TYR 95 N -1.18 0.00 -0.24 1.37 5.03 -1.46 0.90 116.97 121.40 2kwc h TYR 95 Ca -0.08 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.12 2kwc h TYR 95 Cb 0.62 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.89 2kwc h TYR 95 CO 0.01 0.01 -0.31 1.96 -1.32 0.00 0.00 178.16 178.50 2kwc h GLN 96 N 0.00 0.49 -0.01 1.82 4.20 -1.16 1.34 115.11 121.79 2kwc h GLN 96 Ca -0.00 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.50 2kwc h GLN 96 Cb 0.06 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2kwc h GLN 96 CO 0.00 0.75 -0.04 0.39 -0.67 0.00 0.00 178.83 179.27 2kwc n GLU 97 N -4.08 0.93 -0.00 1.46 1.02 -0.29 -4.35 120.64 115.33 2kwc n GLU 97 Ca -0.01 -1.16 0.03 0.00 -0.02 0.00 0.00 57.16 56.00 2kwc n GLU 97 Cb 0.45 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.60 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 0.57 0.00 -1.46 -0.32 8.25 0.30 -5.03 115.22 117.52 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 0.30 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.27 0.58 -2.87 -0.41 0.00 0.46 -4.67 118.16 109.98 2kwc n LYS 99 Ca 0.01 0.21 -0.21 0.00 0.00 0.00 0.00 58.31 58.31 2kwc n LYS 99 Cb 0.11 -1.42 0.09 0.00 0.00 0.00 0.00 35.03 33.81 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 -0.87 4.69 0.14 3.14 -1.08 -0.87 -4.97 116.67 116.84 2kwc s ASP 100 Ca 0.62 -0.74 0.25 0.00 -0.52 0.00 0.00 52.55 52.16 2kwc s ASP 100 Cb -0.71 0.34 0.94 0.00 -1.46 0.00 0.00 42.92 42.02 2kwc s ASP 100 CO 0.58 -1.65 1.77 0.29 0.52 0.00 0.00 175.17 176.68 2kwc n LYS 101 N -2.54 0.15 -0.51 4.34 5.02 -1.26 -2.23 118.16 121.13 2kwc n LYS 101 Ca 0.17 0.20 0.09 0.00 -2.02 0.00 0.00 58.31 56.75 2kwc n LYS 101 Cb 0.61 -1.70 0.31 0.00 -0.02 0.00 0.00 35.03 34.23 2kwc n LYS 101 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2kwc n ASP 102 N -1.97 4.33 0.00 4.39 5.68 -1.26 -4.97 116.55 122.74 2kwc n ASP 102 Ca 0.05 -2.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.93 2kwc n ASP 102 Cb 0.34 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 2kwc n ASP 102 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kwc n GLY 103 N 0.89 1.72 3.08 6.12 0.00 -0.94 -4.24 105.19 111.80 2kwc n GLY 103 Ca 0.23 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.55 -4.30 1.61 3.72 -1.26 -3.62 117.46 112.05 2kwc n PHE 104 Ca 0.00 0.34 -0.24 0.00 -0.05 0.00 0.00 57.45 57.50 2kwc n PHE 104 Cb 0.00 -1.44 -0.08 0.00 -0.94 0.00 0.00 39.48 37.02 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 3.06 3.03 -0.09 4.37 2.96 -1.21 -2.05 118.68 128.75 2kwc s LEU 105 Ca 0.40 -0.97 -0.00 0.00 -0.22 0.00 0.00 54.13 53.34 2kwc s LEU 105 Cb -0.02 -1.41 0.02 0.00 0.50 0.00 0.00 46.19 45.29 2kwc s LEU 105 CO 0.53 -0.26 -0.06 -0.72 -1.32 0.00 0.00 176.35 174.52 2kwc s TYR 106 N -2.51 1.19 0.32 5.38 1.13 -1.26 -2.32 117.35 119.28 2kwc s TYR 106 Ca 0.35 -0.51 0.02 0.00 -1.41 0.00 0.00 57.07 55.52 2kwc s TYR 106 Cb -0.00 -1.04 -0.02 0.00 -1.10 0.00 0.00 41.96 39.80 2kwc s TYR 106 CO 0.20 -0.40 0.35 0.14 -2.51 0.00 0.00 175.55 173.32 2kwc s VAL 107 N 1.57 0.00 -0.16 -3.49 -7.23 -1.10 -4.00 120.40 105.98 2kwc s VAL 107 Ca 0.01 -1.81 -0.10 0.00 -1.81 0.00 0.00 61.98 58.27 2kwc s VAL 107 Cb -0.13 -2.55 0.05 0.00 0.56 0.00 0.00 36.38 34.32 2kwc s VAL 107 CO -0.05 0.00 0.40 -0.89 -0.31 0.00 0.00 175.10 174.24 2kwc s THR 108 N -3.39 -0.02 -0.08 5.32 2.01 0.75 -1.92 115.64 118.30 2kwc s THR 108 Ca 0.36 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.45 2kwc s THR 108 Cb 0.02 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.92 2kwc s THR 108 CO 0.22 0.03 -0.13 -0.72 -0.69 0.00 0.00 174.62 173.33 2kwc s TYR 109 N 1.10 2.75 0.03 4.92 1.13 -1.26 0.78 117.35 126.79 2kwc s TYR 109 Ca -0.07 -0.31 -0.04 0.00 -1.41 0.00 0.00 57.07 55.24 2kwc s TYR 109 Cb -0.07 -1.71 -0.01 0.00 -1.10 0.00 0.00 41.96 39.07 2kwc s TYR 109 CO -0.09 0.06 0.05 0.45 -2.51 0.00 0.00 175.55 173.51 2kwc s SER 110 N -0.36 0.20 0.00 -0.18 0.15 -0.58 -3.61 113.70 109.32 2kwc s SER 110 Ca 0.04 -0.52 0.14 0.00 0.70 0.00 0.00 55.95 56.31 2kwc s SER 110 Cb -0.12 0.18 0.71 0.00 -1.71 0.00 0.00 66.02 65.08 2kwc s SER 110 CO 0.02 -0.43 1.39 0.61 1.20 0.00 0.00 173.24 176.03 2kwc n GLY 111 N 1.06 -0.77 3.72 9.45 0.00 -1.26 -0.72 105.19 116.67 2kwc n GLY 111 Ca -0.21 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.60 2.58 -0.34 1.61 2.12 -1.25 -4.37 118.70 116.45 2kwc s GLU 112 Ca 0.13 -1.11 -0.04 0.00 0.36 0.00 0.00 54.97 54.31 2kwc s GLU 112 Cb 0.10 -2.42 -0.03 0.00 0.26 0.00 0.00 34.13 32.04 2kwc s GLU 112 CO 0.22 0.43 3.01 -1.71 -0.54 0.00 0.00 175.26 176.68 2kwc n ASN 113 N -0.50 6.14 -4.93 -1.70 4.05 -1.26 -4.32 115.26 112.74 2kwc n ASN 113 Ca -0.08 -3.00 -0.21 0.00 0.45 0.00 0.00 54.58 51.73 2kwc n ASN 113 Cb 0.56 -1.29 0.05 0.00 1.23 0.00 0.00 39.78 40.33 2kwc n ASN 113 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2kwc s THR 114 N -1.31 2.56 -2.23 -0.44 -4.23 -1.26 -5.01 115.64 103.72 2kwc s THR 114 Ca 0.61 -0.66 0.22 0.00 -1.18 0.00 0.00 61.69 60.68 2kwc s THR 114 Cb 0.36 -2.90 0.42 0.00 1.34 0.00 0.00 72.50 71.73 2kwc s THR 114 CO -0.16 0.00 1.38 0.49 -0.54 0.00 0.00 174.62 175.79 2kwc n PHE 115 N -2.42 0.53 0.00 3.99 3.01 -1.26 -4.89 117.46 116.41 2kwc n PHE 115 Ca 0.09 -0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.27 2kwc n PHE 115 Cb 0.60 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18