#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl s ARG 3 N 0.00 2.64 0.00 0.00 0.52 -1.26 -4.29 118.95 116.57 3knl s ARG 3 Ca 0.00 -1.41 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 3knl s ARG 3 Cb 0.00 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.81 3knl s ARG 3 CO 0.00 -0.41 0.00 -0.89 0.02 0.00 0.00 175.30 174.02 3knl n ILE 4 N -1.90 0.00 -1.48 1.52 5.41 -1.00 -4.93 119.36 116.98 3knl n ILE 4 Ca 0.09 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.53 3knl n ILE 4 Cb 0.60 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.60 3knl n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3knl s ALA 5 N -1.73 2.43 0.00 -1.39 0.00 -1.26 -4.60 121.76 115.20 3knl s ALA 5 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3knl s ALA 5 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3knl s ALA 5 CO 0.00 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 174.65 3knl n GLY 6 N -1.79 0.57 0.00 0.00 0.00 -1.26 -3.84 105.19 98.87 3knl n GLY 6 Ca 0.08 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3knl n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knl n VAL 7 N 0.00 0.00 -1.91 1.61 0.31 -1.26 -5.14 118.33 111.93 3knl n VAL 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knl n VAL 7 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knl n VAL 7 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3knl n GLU 8 N 0.00 -3.14 -3.14 5.55 1.02 -1.25 -2.38 120.64 117.30 3knl n GLU 8 Ca 0.00 2.22 -0.21 0.00 -0.02 0.00 0.00 57.16 59.15 3knl n GLU 8 Cb 0.00 -2.69 -0.05 0.00 -0.02 0.00 0.00 31.44 28.68 3knl n GLU 8 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3knl n ILE 9 N 1.80 -0.52 -2.80 -3.67 5.41 -1.26 -3.44 119.36 114.89 3knl n ILE 9 Ca 0.00 -3.81 -0.41 0.00 1.00 0.00 0.00 62.75 59.53 3knl n ILE 9 Cb 0.00 -1.23 -0.04 0.00 -0.71 0.00 0.00 39.64 37.66 3knl n ILE 9 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3knl s PRO 10 N -1.19 4.60 0.21 0.38 0.04 -1.26 -4.99 135.00 132.79 3knl s PRO 10 Ca 0.35 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3knl s PRO 10 Cb 0.21 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 3knl s PRO 10 CO -0.12 0.13 0.09 1.03 0.04 0.00 0.00 177.00 178.18 3knl s ARG 11 N 0.36 1.22 0.00 4.56 0.52 -1.26 -4.86 118.95 119.49 3knl s ARG 11 Ca 0.46 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 3knl s ARG 11 Cb -0.22 0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.28 3knl s ARG 11 CO 0.27 -0.31 0.00 0.09 0.02 0.00 0.00 175.30 175.37 3knl n ASN 12 N -0.30 0.00 -4.94 0.23 3.02 -1.26 -4.94 115.26 107.07 3knl n ASN 12 Ca -0.01 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.28 3knl n ASN 12 Cb 0.65 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.77 3knl n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3knl s LYS 13 N 0.00 3.49 0.55 3.52 1.02 -1.26 -4.84 119.74 122.22 3knl s LYS 13 Ca 0.00 -0.45 -0.18 0.00 0.02 0.00 0.00 55.97 55.36 3knl s LYS 13 Cb 0.00 -2.85 -0.10 0.00 -0.52 0.00 0.00 37.83 34.36 3knl s LYS 13 CO 0.00 0.40 0.38 0.54 -0.92 0.00 0.00 175.35 175.75 3knl n ARG 14 N -0.87 0.40 -0.09 1.68 1.74 -1.26 -3.39 116.66 114.88 3knl n ARG 14 Ca -0.06 0.16 -0.12 0.00 -0.77 0.00 0.00 57.85 57.06 3knl n ARG 14 Cb 0.55 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 30.41 3knl n ARG 14 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3knl h VAL 15 N 0.21 1.30 0.00 1.55 -1.51 -1.78 -0.25 116.25 115.77 3knl h VAL 15 Ca -0.44 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 63.83 3knl h VAL 15 Cb 1.41 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 3knl h VAL 15 CO 0.46 0.37 0.00 -2.24 -1.23 0.00 0.00 177.57 174.93 3knl h ASP 16 N 0.25 0.00 0.47 4.19 -0.00 -1.88 0.29 116.42 119.74 3knl h ASP 16 Ca 0.06 0.00 -0.30 0.00 -0.00 0.00 0.00 57.03 56.79 3knl h ASP 16 Cb 0.62 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 39.90 3knl h ASP 16 CO 0.04 0.00 -1.72 0.52 -0.00 0.00 0.00 179.24 178.07 3knl n VAL 17 N -3.00 1.62 0.20 4.15 0.31 -1.01 -4.02 118.33 116.59 3knl n VAL 17 Ca -0.02 -0.79 -0.13 0.00 -0.01 0.00 0.00 64.34 63.39 3knl n VAL 17 Cb 0.09 -1.08 -0.07 0.00 -0.91 0.00 0.00 33.84 31.87 3knl n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knl h ALA 18 N 0.95 -0.55 -1.51 3.52 0.00 0.82 -2.91 119.26 119.57 3knl h ALA 18 Ca -0.29 -0.19 0.45 0.00 0.00 0.00 0.00 54.91 54.88 3knl h ALA 18 Cb 2.02 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 19.94 3knl h ALA 18 CO 0.08 -0.62 1.06 -0.07 0.00 0.00 0.00 179.25 179.71 3knl h LEU 19 N -0.94 0.09 -0.41 0.00 -0.00 -1.29 0.52 115.31 113.27 3knl h LEU 19 Ca -0.06 0.04 0.05 0.00 -0.00 0.00 0.00 57.88 57.91 3knl h LEU 19 Cb 0.56 0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.20 3knl h LEU 19 CO 0.09 -0.04 0.13 0.74 -0.00 0.00 0.00 178.44 179.37 3knl h THR 20 N 0.05 0.86 0.00 0.22 2.02 -1.62 -1.17 112.91 113.27 3knl h THR 20 Ca 0.77 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.85 3knl h THR 20 Cb 2.87 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 3knl h THR 20 CO -0.12 0.05 0.00 -1.22 0.37 0.00 0.00 175.52 174.60 3knl n TYR 21 N -5.03 0.00 -4.08 3.16 0.53 0.18 -4.51 117.16 107.41 3knl n TYR 21 Ca 0.03 0.00 -0.34 0.00 -1.02 0.00 0.00 57.90 56.57 3knl n TYR 21 Cb 0.16 -0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.40 3knl n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3knl s ILE 22 N -1.55 4.87 -1.15 -0.72 1.01 -0.44 -4.99 121.20 118.23 3knl s ILE 22 Ca 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 60.65 60.18 3knl s ILE 22 Cb 0.00 -3.19 0.03 0.00 0.01 0.00 0.00 42.46 39.30 3knl s ILE 22 CO 0.00 0.42 1.70 -0.47 0.00 0.00 0.00 174.94 176.60 3knl s TYR 23 N -1.14 2.46 0.00 3.97 6.04 -1.26 -2.35 117.35 125.07 3knl s TYR 23 Ca 0.21 -0.79 0.00 0.00 0.04 0.00 0.00 57.07 56.53 3knl s TYR 23 Cb -0.12 -4.54 0.00 0.00 -1.04 0.00 0.00 41.96 36.26 3knl s TYR 23 CO 0.11 -1.75 0.00 0.41 -1.54 0.00 0.00 175.55 172.79 3knl n GLY 24 N 6.10 -0.97 2.88 8.97 0.00 -1.26 -0.60 105.19 120.30 3knl n GLY 24 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 3knl n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knl s ILE 25 N 0.00 1.28 0.32 -0.61 1.09 -0.99 -4.94 121.20 117.35 3knl s ILE 25 Ca 0.00 -1.17 0.08 0.00 -1.10 0.00 0.00 60.65 58.47 3knl s ILE 25 Cb 0.00 -1.67 -0.04 0.00 -1.06 0.00 0.00 42.46 39.69 3knl s ILE 25 CO 0.00 -0.22 0.14 -0.83 -0.10 0.00 0.00 174.94 173.93 3knl s GLY 26 N 1.49 1.83 0.03 6.18 0.00 -1.26 -3.85 107.32 111.73 3knl s GLY 26 Ca -0.02 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.96 3knl s GLY 26 CO -0.09 -1.70 0.15 1.17 0.00 0.00 0.00 173.10 172.62 3knl n LYS 27 N -1.13 -0.01 0.00 2.90 3.00 -1.26 -2.31 118.16 119.35 3knl n LYS 27 Ca -0.04 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 3knl n LYS 27 Cb 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 35.03 35.41 3knl n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3knl n ALA 28 N -3.68 0.00 -0.61 3.14 0.00 -1.26 -1.25 120.51 116.85 3knl n ALA 28 Ca 0.02 0.00 0.49 0.00 0.00 0.00 0.00 53.44 53.95 3knl n ALA 28 Cb 0.07 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.32 3knl n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knl h ARG 29 N 0.00 0.00 0.45 0.00 3.08 -1.85 0.19 114.38 116.26 3knl h ARG 29 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3knl h ARG 29 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3knl h ARG 29 CO 0.00 0.00 -0.22 0.00 -1.07 0.00 0.00 179.97 178.68 3knl h ALA 30 N 1.07 -0.91 0.69 0.04 0.00 -1.49 0.10 119.26 118.76 3knl h ALA 30 Ca 0.85 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.59 3knl h ALA 30 Cb 3.44 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 21.47 3knl h ALA 30 CO -0.01 -0.86 -0.40 0.87 0.00 0.00 0.00 179.25 178.85 3knl h LYS 31 N -0.76 -0.98 -0.96 0.00 1.57 0.65 -1.98 116.57 114.12 3knl h LYS 31 Ca -0.06 0.07 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3knl h LYS 31 Cb 0.46 0.22 -0.13 0.00 0.08 0.00 0.00 32.23 32.87 3knl h LYS 31 CO 0.10 -0.65 -0.50 -1.91 -0.57 0.00 0.00 179.45 175.92 3knl n GLU 32 N -4.96 -0.35 0.00 3.15 0.00 0.35 0.99 120.64 119.83 3knl n GLU 32 Ca -0.12 1.46 0.03 0.00 0.00 0.00 0.00 57.16 58.53 3knl n GLU 32 Cb 0.42 -2.16 0.20 0.00 0.00 0.00 0.00 31.44 29.90 3knl n GLU 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3knl n ALA 33 N -3.36 2.02 0.51 4.31 0.00 0.36 -2.73 120.51 121.62 3knl n ALA 33 Ca 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.55 3knl n ALA 33 Cb 0.30 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 3knl n ALA 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knl n LEU 34 N -0.72 0.51 -0.86 0.00 4.77 0.28 -4.13 117.00 116.85 3knl n LEU 34 Ca 0.05 -0.27 0.08 0.00 -0.03 0.00 0.00 56.01 55.85 3knl n LEU 34 Cb 0.02 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.36 3knl n LEU 34 CO 0.04 0.13 0.70 -1.84 -1.33 0.00 0.00 177.39 175.08 3knl n GLU 35 N -1.83 2.93 -0.30 3.23 0.28 -1.11 -3.28 120.64 120.56 3knl n GLU 35 Ca 0.00 -2.74 0.08 0.00 -0.16 0.00 0.00 57.16 54.34 3knl n GLU 35 Cb 0.42 -1.77 0.19 0.00 1.43 0.00 0.00 31.44 31.71 3knl n GLU 35 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3knl n LYS 36 N -0.37 1.92 0.00 3.44 4.76 -1.25 -4.44 118.16 122.22 3knl n LYS 36 Ca 0.20 -2.78 0.00 0.00 -2.87 0.00 0.00 58.31 52.86 3knl n LYS 36 Cb 0.83 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 3knl n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3knl n THR 37 N -1.07 0.00 -2.84 -0.18 -2.24 -1.26 -5.04 114.28 101.66 3knl n THR 37 Ca 0.20 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.79 3knl n THR 37 Cb 0.77 0.58 0.03 0.00 -2.10 0.00 0.00 70.33 69.60 3knl n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knl n GLY 38 N 0.00 -0.32 3.40 3.38 0.00 -1.26 -4.86 105.19 105.53 3knl n GLY 38 Ca 0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3knl n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knl s ILE 39 N -3.06 3.25 -0.30 -0.61 1.01 -1.21 -5.06 121.20 115.23 3knl s ILE 39 Ca 0.23 -0.59 -0.28 0.00 0.00 0.00 0.00 60.65 60.01 3knl s ILE 39 Cb -0.10 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 3knl s ILE 39 CO 0.28 0.51 1.89 0.21 0.00 0.00 0.00 174.94 177.84 3knl s ASN 40 N 0.38 5.81 0.00 3.58 2.47 -1.26 -4.55 114.94 121.37 3knl s ASN 40 Ca -0.09 1.45 0.00 0.00 0.42 0.00 0.00 52.86 54.64 3knl s ASN 40 Cb -0.15 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 3knl s ASN 40 CO 0.05 -1.75 0.07 -2.65 -3.72 0.00 0.00 177.10 169.10 3knl n PRO 41 N 8.49 0.13 -0.00 0.43 -0.02 -1.26 -1.47 135.00 141.29 3knl n PRO 41 Ca 0.24 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.73 3knl n PRO 41 Cb 0.46 -1.06 -0.01 0.00 -0.02 0.00 0.00 33.50 32.87 3knl n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knl n ALA 42 N 0.38 2.15 -0.97 3.55 0.00 -1.26 -4.22 120.51 120.14 3knl n ALA 42 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 3knl n ALA 42 Cb 0.03 -0.06 0.03 0.00 0.00 0.00 0.00 19.45 19.46 3knl n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3knl n THR 43 N -1.24 0.00 -5.21 0.00 -2.24 -0.54 -4.79 114.28 100.25 3knl n THR 43 Ca 0.00 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 3knl n THR 43 Cb 0.03 -0.63 -0.16 0.00 -2.10 0.00 0.00 70.33 67.47 3knl n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3knl s ARG 44 N -3.27 2.33 0.30 -0.78 1.81 -1.26 -2.72 118.95 115.36 3knl s ARG 44 Ca 0.08 -0.87 0.06 0.00 -1.72 0.00 0.00 55.73 53.28 3knl s ARG 44 Cb -0.01 -2.04 0.76 0.00 -0.45 0.00 0.00 34.95 33.21 3knl s ARG 44 CO 0.06 0.40 1.74 0.28 -0.68 0.00 0.00 175.30 177.10 3knl h VAL 45 N 4.96 0.59 -0.65 3.52 2.07 -1.85 0.23 116.25 125.12 3knl h VAL 45 Ca -0.34 -0.20 0.19 0.00 0.82 0.00 0.00 66.70 67.16 3knl h VAL 45 Cb 1.16 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3knl h VAL 45 CO 0.47 0.11 0.66 0.07 0.02 0.00 0.00 177.57 178.90 3knl h LYS 46 N 0.59 0.00 -4.39 1.57 2.10 -1.90 -3.38 116.57 111.17 3knl h LYS 46 Ca 0.58 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.67 3knl h LYS 46 Cb 1.03 0.00 -0.37 0.00 -0.90 0.00 0.00 32.23 31.99 3knl h LYS 46 CO -0.45 0.00 -0.81 -0.51 -2.00 0.00 0.00 179.45 175.68 3knl s ASP 47 N -4.91 2.52 0.00 7.07 -0.00 0.82 -5.05 116.67 117.12 3knl s ASP 47 Ca -0.04 -0.45 0.00 0.00 -0.00 0.00 0.00 52.55 52.05 3knl s ASP 47 Cb 0.16 -0.99 0.00 0.00 -0.00 0.00 0.00 42.92 42.09 3knl s ASP 47 CO 0.57 -0.11 0.00 0.00 -0.00 0.00 0.00 175.17 175.63 3knl n LEU 48 N 4.86 0.00 -4.49 1.23 -0.00 -1.26 -4.35 117.00 112.99 3knl n LEU 48 Ca -0.14 0.00 -0.57 0.00 -0.00 0.00 0.00 56.01 55.30 3knl n LEU 48 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.84 3knl n LEU 48 CO 0.18 0.00 0.50 0.41 -0.00 0.00 0.00 177.39 178.48 3knl n THR 49 N -0.31 0.33 -0.17 1.47 -1.04 -1.26 -4.75 114.28 108.56 3knl n THR 49 Ca 0.00 -0.08 0.24 0.00 -2.04 0.00 0.00 64.05 62.16 3knl n THR 49 Cb 0.00 -0.05 0.64 0.00 -1.82 0.00 0.00 70.33 69.10 3knl n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3knl h GLU 50 N 2.76 0.14 -0.08 -2.82 4.39 -2.01 0.39 114.58 117.35 3knl h GLU 50 Ca -0.47 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.01 3knl h GLU 50 Cb 1.43 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 3knl h GLU 50 CO 0.64 0.09 -0.81 0.00 -1.16 0.00 0.00 179.01 177.78 3knl h ALA 51 N 1.61 0.44 -0.52 3.43 0.00 -2.00 -3.09 119.26 119.12 3knl h ALA 51 Ca 0.41 -0.63 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3knl h ALA 51 Cb 1.39 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 3knl h ALA 51 CO -0.06 0.75 0.20 0.93 0.00 0.00 0.00 179.25 181.06 3knl h GLU 52 N 0.35 0.37 0.49 0.00 5.08 -0.55 0.40 114.58 120.71 3knl h GLU 52 Ca -0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3knl h GLU 52 Cb 1.42 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 3knl h GLU 52 CO 0.15 0.24 -0.46 0.28 -1.00 0.00 0.00 179.01 178.22 3knl h VAL 53 N 0.38 0.09 -0.22 3.13 2.07 -1.43 0.98 116.25 121.25 3knl h VAL 53 Ca 0.25 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.82 3knl h VAL 53 Cb 0.26 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 3knl h VAL 53 CO -0.24 0.00 -0.36 0.58 0.02 0.00 0.00 177.57 177.57 3knl h VAL 54 N -0.95 0.22 -0.06 2.57 2.07 -1.37 0.39 116.25 119.12 3knl h VAL 54 Ca -0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3knl h VAL 54 Cb 0.82 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3knl h VAL 54 CO -0.05 0.00 -0.50 -0.09 0.02 0.00 0.00 177.57 176.95 3knl h ARG 55 N -0.38 -0.56 -0.08 1.57 2.43 0.10 1.11 114.38 118.57 3knl h ARG 55 Ca 0.11 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3knl h ARG 55 Cb 0.57 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.20 3knl h ARG 55 CO -0.43 -0.38 -0.43 1.25 -1.51 0.00 0.00 179.97 178.47 3knl h LEU 56 N -0.59 -1.36 0.17 3.80 7.12 0.19 -1.08 115.31 123.56 3knl h LEU 56 Ca 0.02 0.16 0.01 0.00 0.13 0.00 0.00 57.88 58.19 3knl h LEU 56 Cb 0.65 0.53 -0.02 0.00 -0.53 0.00 0.00 40.66 41.29 3knl h LEU 56 CO -0.36 -0.39 -0.19 -0.09 -0.13 0.00 0.00 178.44 177.27 3knl h ARG 57 N -0.48 -0.38 -0.88 1.25 2.43 -0.03 -1.55 114.38 114.72 3knl h ARG 57 Ca 0.02 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.42 3knl h ARG 57 Cb 0.55 0.09 -0.17 0.00 -0.42 0.00 0.00 29.97 30.02 3knl h ARG 57 CO -0.33 -0.26 -0.13 0.39 -1.51 0.00 0.00 179.97 178.13 3knl n GLU 58 N -5.32 -0.08 0.00 0.20 -0.58 0.38 -0.44 120.64 114.81 3knl n GLU 58 Ca -0.08 1.36 0.00 0.00 -0.42 0.00 0.00 57.16 58.02 3knl n GLU 58 Cb 0.23 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 3knl n GLU 58 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 3knl n TYR 59 N -5.38 0.00 -0.28 -0.32 9.36 -0.44 -3.13 117.16 116.96 3knl n TYR 59 Ca 0.17 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.38 3knl n TYR 59 Cb 0.53 -0.24 0.04 0.00 -0.63 0.00 0.00 39.34 39.04 3knl n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3knl n VAL 60 N -1.22 -0.38 0.28 2.97 0.31 -0.65 -0.08 118.33 119.56 3knl n VAL 60 Ca 0.00 1.72 0.15 0.00 -0.01 0.00 0.00 64.34 66.20 3knl n VAL 60 Cb 0.00 -2.28 0.83 0.00 -0.91 0.00 0.00 33.84 31.48 3knl n VAL 60 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3knl h GLU 61 N 0.00 0.00 0.00 5.55 4.81 -0.87 -3.20 114.58 120.87 3knl h GLU 61 Ca 0.26 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3knl h GLU 61 Cb 0.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3knl h GLU 61 CO -0.73 0.07 -1.50 0.09 -0.73 0.00 0.00 179.01 176.20 3knl n ASN 62 N -3.63 2.64 0.25 1.04 4.13 0.89 -4.60 115.26 115.98 3knl n ASN 62 Ca -0.02 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.35 3knl n ASN 62 Cb 0.18 1.35 0.64 0.00 -1.54 0.00 0.00 39.78 40.41 3knl n ASN 62 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3knl h THR 63 N 0.00 0.59 -1.64 3.41 2.02 -0.74 -3.46 112.91 113.10 3knl h THR 63 Ca -0.04 -0.72 0.09 0.00 0.77 0.00 0.00 66.41 66.52 3knl h THR 63 Cb 0.66 1.47 -0.22 0.00 -1.74 0.00 0.00 68.15 68.31 3knl h THR 63 CO 0.00 0.15 0.56 -1.66 0.37 0.00 0.00 175.52 174.95 3knl s TRP 64 N -4.05 -0.35 -0.35 3.16 -2.14 -1.25 -5.10 118.94 108.87 3knl s TRP 64 Ca -0.02 0.54 -0.29 0.00 2.66 0.00 0.00 56.10 59.00 3knl s TRP 64 Cb 0.12 0.46 0.01 0.00 -3.10 0.00 0.00 33.47 30.97 3knl s TRP 64 CO 0.60 -0.35 1.25 -1.59 -2.66 0.00 0.00 176.95 174.20 3knl s LYS 65 N -1.41 3.86 0.00 3.25 -2.85 -1.26 -4.79 119.74 116.54 3knl s LYS 65 Ca -0.00 1.07 0.00 0.00 -1.00 0.00 0.00 55.97 56.04 3knl s LYS 65 Cb -0.01 -3.88 0.00 0.00 -2.06 0.00 0.00 37.83 31.88 3knl s LYS 65 CO -0.00 -1.19 0.00 1.47 0.10 0.00 0.00 175.35 175.73 3knl n LEU 66 N 7.70 0.00 0.00 2.77 -0.00 -1.24 -4.82 117.00 121.41 3knl n LEU 66 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 3knl n LEU 66 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 3knl n LEU 66 CO 0.65 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 179.25 3knl n GLU 67 N 0.00 0.00 0.00 1.47 4.07 0.24 -3.40 120.64 123.02 3knl n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3knl n GLU 67 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3knl n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3knl n GLY 68 N 0.00 0.61 3.51 8.31 0.00 -1.26 -4.40 105.19 111.97 3knl n GLY 68 Ca 0.00 0.70 -0.21 0.00 0.00 0.00 0.00 46.02 46.51 3knl n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3knl n GLU 69 N 0.00 0.09 0.00 1.61 4.07 -1.23 0.36 120.64 125.54 3knl n GLU 69 Ca 0.00 -0.14 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 3knl n GLU 69 Cb 0.00 -1.44 0.00 0.00 -0.06 0.00 0.00 31.44 29.94 3knl n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3knl n LEU 70 N 7.68 0.00 0.25 4.31 0.00 -1.22 -3.67 117.00 124.35 3knl n LEU 70 Ca 0.65 0.00 0.17 0.00 0.00 0.00 0.00 56.01 56.83 3knl n LEU 70 Cb 0.19 0.00 0.91 0.00 0.00 0.00 0.00 43.42 44.52 3knl n LEU 70 CO 1.01 0.00 1.02 -0.09 0.00 0.00 0.00 177.39 179.33 3knl h ARG 71 N 0.00 0.00 0.13 1.96 2.43 0.60 0.94 114.38 120.43 3knl h ARG 71 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 3knl h ARG 71 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3knl h ARG 71 CO 0.00 0.00 -1.69 0.00 -1.51 0.00 0.00 179.97 176.77 3knl h ALA 72 N 2.01 0.32 -0.06 2.80 0.00 -1.85 -2.44 119.26 120.03 3knl h ALA 72 Ca 0.00 -1.21 -0.17 0.00 0.00 0.00 0.00 54.91 53.54 3knl h ALA 72 Cb 0.03 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3knl h ALA 72 CO 0.00 1.19 -0.69 1.49 0.00 0.00 0.00 179.25 181.24 3knl h GLU 73 N 0.07 0.28 -0.41 0.00 4.81 0.23 0.47 114.58 120.03 3knl h GLU 73 Ca -0.31 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 3knl h GLU 73 Cb 2.04 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.45 3knl h GLU 73 CO 0.14 0.86 0.00 0.28 -0.73 0.00 0.00 179.01 179.57 3knl h VAL 74 N 0.20 1.26 0.57 0.32 2.07 0.20 0.38 116.25 121.25 3knl h VAL 74 Ca -0.02 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 3knl h VAL 74 Cb 1.24 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3knl h VAL 74 CO 0.11 0.34 -0.48 0.00 0.02 0.00 0.00 177.57 177.57 3knl h ALA 75 N 0.89 -1.12 -0.63 1.67 0.00 -1.12 -0.16 119.26 118.79 3knl h ALA 75 Ca 0.12 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3knl h ALA 75 Cb 0.48 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 3knl h ALA 75 CO 0.02 -1.16 -0.43 0.00 0.00 0.00 0.00 179.25 177.68 3knl h ALA 76 N -0.86 -0.28 -0.33 0.00 0.00 0.23 0.35 119.26 118.37 3knl h ALA 76 Ca -0.07 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3knl h ALA 76 Cb 0.87 0.97 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 3knl h ALA 76 CO -0.01 -0.81 -0.48 -0.91 0.00 0.00 0.00 179.25 177.05 3knl h ASN 77 N -0.19 -1.58 -0.96 0.00 2.35 0.10 -1.04 115.58 114.25 3knl h ASN 77 Ca 0.20 0.21 0.11 0.00 -0.55 0.00 0.00 56.30 56.26 3knl h ASN 77 Cb 0.56 0.65 -0.08 0.00 0.05 0.00 0.00 38.32 39.49 3knl h ASN 77 CO -0.72 -0.35 0.59 0.40 -1.65 0.00 0.00 177.43 175.70 3knl h ILE 78 N -0.35 0.92 0.03 2.81 2.04 0.60 -1.84 117.51 121.72 3knl h ILE 78 Ca 0.06 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.61 3knl h ILE 78 Cb 0.51 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 3knl h ILE 78 CO -0.50 0.17 -0.43 0.11 0.00 0.00 0.00 178.15 177.50 3knl h LYS 79 N 0.95 -0.54 -1.01 2.37 1.57 0.90 -2.11 116.57 118.70 3knl h LYS 79 Ca 0.47 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.52 3knl h LYS 79 Cb 0.44 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.76 3knl h LYS 79 CO -0.26 -0.36 0.61 -0.09 -0.57 0.00 0.00 179.45 178.79 3knl h ARG 80 N -0.56 0.57 0.00 3.15 2.43 -0.68 0.79 114.38 120.08 3knl h ARG 80 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3knl h ARG 80 Cb 0.59 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3knl h ARG 80 CO -0.27 0.38 0.13 1.28 -1.51 0.00 0.00 179.97 179.98 3knl n LEU 81 N -4.79 0.26 0.06 3.80 4.77 -0.80 0.29 117.00 120.59 3knl n LEU 81 Ca 0.25 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.90 3knl n LEU 81 Cb 0.72 -0.55 0.23 0.00 -2.33 0.00 0.00 43.42 41.49 3knl n LEU 81 CO 0.20 -0.63 0.46 1.15 -1.33 0.00 0.00 177.39 177.23 3knl n MET 82 N -1.83 0.26 0.00 3.23 0.00 0.27 -3.62 117.12 115.43 3knl n MET 82 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.79 3knl n MET 82 Cb 0.15 -1.69 0.00 0.00 0.00 0.00 0.00 33.22 31.68 3knl n MET 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3knl n ASP 83 N -2.09 0.00 -1.18 3.17 3.85 0.84 -2.11 116.55 119.02 3knl n ASP 83 Ca 0.04 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.20 3knl n ASP 83 Cb 0.43 0.00 0.30 0.00 -1.35 0.00 0.00 41.12 40.50 3knl n ASP 83 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 3knl n ILE 84 N 0.00 2.35 -0.96 2.12 2.08 -1.26 -4.99 119.36 118.71 3knl n ILE 84 Ca 0.00 -1.69 0.00 0.00 0.56 0.00 0.00 62.75 61.62 3knl n ILE 84 Cb 0.00 -0.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.67 3knl n ILE 84 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3knl n GLY 85 N -0.10 0.07 3.79 7.39 0.00 -0.90 -5.08 105.19 110.36 3knl n GLY 85 Ca 0.23 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3knl n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knl h TYR 87 N -1.02 -1.14 0.00 0.00 3.20 -1.91 1.37 116.97 117.47 3knl h TYR 87 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3knl h TYR 87 Cb 1.24 0.47 0.00 0.00 1.54 0.00 0.00 36.73 39.98 3knl h TYR 87 CO 0.54 -0.53 0.22 -0.09 -1.64 0.00 0.00 178.16 176.66 3knl h ARG 88 N -0.73 0.00 0.24 1.82 2.43 -1.91 -1.11 114.38 115.11 3knl h ARG 88 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3knl h ARG 88 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3knl h ARG 88 CO -0.16 0.00 -0.11 0.78 -1.51 0.00 0.00 179.97 178.97 3knl h GLY 89 N 0.00 -0.33 0.00 2.80 0.00 0.16 -3.38 103.07 102.32 3knl h GLY 89 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3knl h GLY 89 CO 0.00 -0.12 0.00 1.04 0.00 0.00 0.00 176.54 177.46 3knl n LEU 90 N -3.02 0.00 0.00 3.11 4.77 0.13 -3.20 117.00 118.79 3knl n LEU 90 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3knl n LEU 90 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3knl n LEU 90 CO 0.09 -0.51 0.00 0.54 -1.33 0.00 0.00 177.39 176.19 3knl n ARG 91 N -0.26 0.00 -0.11 3.23 5.12 -1.26 -3.56 116.66 119.83 3knl n ARG 91 Ca 0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.88 3knl n ARG 91 Cb 0.00 0.00 0.17 0.00 -1.16 0.00 0.00 32.46 31.47 3knl n ARG 91 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3knl h HIS 92 N 0.00 0.83 0.17 -1.55 3.86 -1.72 -2.58 115.15 114.15 3knl h HIS 92 Ca 0.00 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3knl h HIS 92 Cb 0.00 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 3knl h HIS 92 CO 0.00 0.76 -0.21 0.00 0.86 0.00 0.00 177.93 179.34 3knl h ARG 93 N 0.74 -0.37 -3.32 2.45 -0.00 -1.60 -3.32 114.38 108.96 3knl h ARG 93 Ca 0.15 0.03 -0.76 0.00 -0.50 0.00 0.00 59.98 58.89 3knl h ARG 93 Cb 0.42 0.08 -0.31 0.00 0.00 0.00 0.00 29.97 30.16 3knl h ARG 93 CO 0.02 -0.25 0.27 0.54 0.00 0.00 0.00 179.97 180.55 3knl n ARG 94 N -3.59 3.32 0.00 0.04 5.12 -1.05 -4.91 116.66 115.58 3knl n ARG 94 Ca -0.05 -4.49 0.00 0.00 -1.93 0.00 0.00 57.85 51.38 3knl n ARG 94 Cb 0.18 -2.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.00 3knl n ARG 94 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3knl n GLY 95 N 2.27 0.00 3.35 -0.13 0.00 -1.11 -4.75 105.19 104.82 3knl n GLY 95 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3knl n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knl n LEU 96 N 0.00 -1.34 -4.77 0.99 4.77 -1.00 -4.45 117.00 111.21 3knl n LEU 96 Ca 0.00 0.59 -0.40 0.00 -0.03 0.00 0.00 56.01 56.17 3knl n LEU 96 Cb 0.00 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.02 3knl n LEU 96 CO 0.00 -3.95 0.91 -2.84 -1.33 0.00 0.00 177.39 170.18 3knl s PRO 97 N -2.02 4.35 -0.57 3.23 0.02 -1.26 -4.24 135.00 134.50 3knl s PRO 97 Ca 0.60 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.73 3knl s PRO 97 Cb -0.39 -3.02 0.15 0.00 0.02 0.00 0.00 34.50 31.26 3knl s PRO 97 CO 0.63 -0.14 0.35 0.08 -0.33 0.00 0.00 177.00 177.59 3knl s VAL 98 N -1.19 2.28 0.00 3.83 1.01 -1.26 -4.80 120.40 120.26 3knl s VAL 98 Ca 0.50 -3.49 0.00 0.00 0.00 0.00 0.00 61.98 58.99 3knl s VAL 98 Cb -0.37 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3knl s VAL 98 CO 0.48 -0.94 0.00 0.54 0.00 0.00 0.00 175.10 175.18 3knl n ARG 99 N 2.73 0.00 -2.88 2.72 1.74 -1.26 -5.06 116.66 114.66 3knl n ARG 99 Ca 0.14 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.21 3knl n ARG 99 Cb 0.35 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.78 3knl n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knl n GLY 100 N 0.00 -2.76 3.41 -0.13 0.00 -1.26 -5.03 105.19 99.42 3knl n GLY 100 Ca 0.00 0.49 -0.14 0.00 0.00 0.00 0.00 46.02 46.37 3knl n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3knl s GLN 101 N -1.14 1.69 -0.18 1.61 -0.21 -1.26 -5.15 119.66 115.02 3knl s GLN 101 Ca -0.04 -1.70 -0.07 0.00 0.02 0.00 0.00 55.36 53.56 3knl s GLN 101 Cb 0.00 0.39 -0.04 0.00 1.00 0.00 0.00 33.01 34.37 3knl s GLN 101 CO 0.48 -0.67 0.07 1.03 -2.12 0.00 0.00 175.29 174.08 3knl s ARG 102 N -3.49 3.94 -0.01 2.91 1.81 -1.26 -4.98 118.95 117.87 3knl s ARG 102 Ca 0.33 -0.33 0.10 0.00 -1.72 0.00 0.00 55.73 54.11 3knl s ARG 102 Cb 0.01 -3.21 -0.15 0.00 -0.45 0.00 0.00 34.95 31.15 3knl s ARG 102 CO 0.18 0.31 0.23 0.25 -0.68 0.00 0.00 175.30 175.59 3knl n THR 103 N 3.43 0.00 0.12 0.02 -2.24 -1.26 -4.44 114.28 109.91 3knl n THR 103 Ca -0.17 -0.23 0.20 0.00 -2.27 0.00 0.00 64.05 61.58 3knl n THR 103 Cb 0.52 0.32 0.76 0.00 -2.10 0.00 0.00 70.33 69.83 3knl n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3knl h ARG 104 N 0.00 0.00 -3.75 -0.78 2.43 -2.04 -3.42 114.38 106.82 3knl h ARG 104 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3knl h ARG 104 Cb 0.44 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.88 3knl h ARG 104 CO 0.00 0.00 -0.23 0.95 -1.51 0.00 0.00 179.97 179.18 3knl s THR 105 N -4.57 0.05 0.00 0.20 -4.23 -1.26 -5.13 115.64 100.70 3knl s THR 105 Ca -0.04 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3knl s THR 105 Cb 0.15 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 72.14 3knl s THR 105 CO 0.52 -0.22 0.00 0.59 -0.54 0.00 0.00 174.62 174.97 3knl n ASN 106 N -0.26 -0.93 0.00 3.99 5.03 -1.26 -4.85 115.26 116.97 3knl n ASN 106 Ca -0.07 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.38 3knl n ASN 106 Cb 0.63 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.39 3knl n ASN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3knl n ALA 107 N 0.78 0.00 0.00 5.41 0.00 -1.26 -4.78 120.51 120.66 3knl n ALA 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knl n ALA 107 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3knl n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knl n ARG 108 N -2.70 0.00 0.06 0.00 3.00 -1.26 -2.23 116.66 113.53 3knl n ARG 108 Ca 0.00 0.28 -0.22 0.00 -0.01 0.00 0.00 57.85 57.90 3knl n ARG 108 Cb 0.00 -1.59 -0.15 0.00 0.00 0.00 0.00 32.46 30.72 3knl n ARG 108 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 3knl h THR 109 N 0.00 1.29 -0.48 0.55 2.02 -1.92 -3.31 112.91 111.07 3knl h THR 109 Ca 0.00 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.65 3knl h THR 109 Cb 0.18 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 3knl h THR 109 CO 0.00 0.74 0.00 0.54 0.37 0.00 0.00 175.52 177.17 3knl n ARG 110 N -3.95 2.30 -4.04 6.66 1.74 -0.95 -4.72 116.66 113.71 3knl n ARG 110 Ca -0.18 -2.00 -0.28 0.00 -0.77 0.00 0.00 57.85 54.62 3knl n ARG 110 Cb 0.92 -1.46 -0.17 0.00 -1.02 0.00 0.00 32.46 30.74 3knl n ARG 110 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3knl s LYS 111 N -1.37 1.84 1.03 5.56 1.02 -1.13 -3.97 119.74 122.73 3knl s LYS 111 Ca 0.38 -0.39 -0.20 0.00 0.02 0.00 0.00 55.97 55.79 3knl s LYS 111 Cb 0.20 -1.76 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 3knl s LYS 111 CO 0.28 -0.22 -0.47 0.41 -0.92 0.00 0.00 175.35 174.43 3knl n GLY 112 N 4.74 -2.93 0.00 -3.33 0.00 -1.26 -4.54 105.19 97.87 3knl n GLY 112 Ca -0.15 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3knl n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knl n PRO 113 N 0.05 0.00 -4.51 1.61 -0.02 -1.26 -4.86 135.00 126.01 3knl n PRO 113 Ca 0.01 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.23 3knl n PRO 113 Cb 0.63 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 34.01 3knl n PRO 113 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3knl s ARG 114 N 0.00 1.81 0.00 -0.52 1.81 -1.26 -4.97 118.95 115.82 3knl s ARG 114 Ca 0.00 -1.88 0.00 0.00 -1.72 0.00 0.00 55.73 52.13 3knl s ARG 114 Cb 0.00 -1.74 0.00 0.00 -0.45 0.00 0.00 34.95 32.76 3knl s ARG 114 CO 0.00 0.19 0.18 1.63 -0.68 0.00 0.00 175.30 176.62 3knl n LYS 115 N -0.77 0.00 0.00 3.54 4.01 -1.26 -5.06 118.16 118.63 3knl n LYS 115 Ca -0.05 -0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.56 3knl n LYS 115 Cb 0.62 -0.55 0.00 0.00 -0.51 0.00 0.00 35.03 34.60 3knl n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3knl n THR 116 N -0.01 0.00 -1.69 -0.18 -1.04 -1.26 -4.86 114.28 105.24 3knl n THR 116 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3knl n THR 116 Cb 0.29 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 3knl n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3knl n VAL 117 N 0.00 -4.90 -1.35 12.58 0.31 -1.26 -4.87 118.33 118.84 3knl n VAL 117 Ca 0.00 2.28 -0.52 0.00 -0.01 0.00 0.00 64.34 66.09 3knl n VAL 117 Cb 0.00 -3.23 -0.06 0.00 -0.91 0.00 0.00 33.84 29.64 3knl n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knl n ALA 118 N -1.28 -3.25 -3.98 3.52 0.00 -1.26 -5.01 120.51 109.25 3knl n ALA 118 Ca 0.00 0.52 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 3knl n ALA 118 Cb 0.11 -1.58 -0.01 0.00 0.00 0.00 0.00 19.45 17.97 3knl n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knl n GLY 119 N 1.47 3.43 3.74 0.00 0.00 -1.26 -5.11 105.19 107.45 3knl n GLY 119 Ca 0.18 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 3knl n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knl s LYS 120 N -2.84 4.55 0.00 1.61 -0.14 -1.26 -5.07 119.74 116.59 3knl s LYS 120 Ca 0.06 1.17 0.00 0.00 -1.36 0.00 0.00 55.97 55.85 3knl s LYS 120 Cb -0.01 -3.37 0.00 0.00 -1.68 0.00 0.00 37.83 32.77 3knl s LYS 120 CO 0.04 0.24 0.00 1.63 -0.76 0.00 0.00 175.35 176.50 3knl n LYS 121 N 2.89 1.30 -4.28 1.68 5.02 -1.26 -5.12 118.16 118.38 3knl n LYS 121 Ca -0.01 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.10 3knl n LYS 121 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.38 3knl n LYS 121 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3knl s LYS 122 N -0.16 0.79 0.00 1.97 2.20 -1.26 -5.36 119.74 117.93 3knl s LYS 122 Ca 0.00 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 3knl s LYS 122 Cb 0.00 -0.75 0.00 0.00 -1.51 0.00 0.00 37.83 35.57 3knl s LYS 122 CO 0.00 0.18 0.00 0.00 -0.36 0.00 0.00 175.35 175.17