#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3klu n VAL 9 N 0.00 -0.03 -2.56 0.58 3.14 -1.26 -4.84 118.33 113.36 3klu n VAL 9 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 3klu n VAL 9 Cb 0.00 -0.09 -0.05 0.00 -1.06 0.00 0.00 33.84 32.65 3klu n VAL 9 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 3klu s TYR 10 N 0.00 3.68 -0.62 1.45 2.02 -1.26 -5.01 117.35 117.61 3klu s TYR 10 Ca 0.00 1.72 -0.20 0.00 -0.37 0.00 0.00 57.07 58.21 3klu s TYR 10 Cb 0.00 -3.20 0.09 0.00 -0.40 0.00 0.00 41.96 38.44 3klu s TYR 10 CO 0.00 -0.31 0.82 0.34 -1.57 0.00 0.00 175.55 174.82 3klu s ASP 11 N -0.61 6.18 0.00 2.29 -1.08 -1.26 -4.92 116.67 117.27 3klu s ASP 11 Ca 0.46 -1.24 0.25 0.00 -0.52 0.00 0.00 52.55 51.50 3klu s ASP 11 Cb -0.29 -2.35 1.05 0.00 -1.46 0.00 0.00 42.92 39.86 3klu s ASP 11 CO 0.36 -1.25 1.73 0.18 0.52 0.00 0.00 175.17 176.71 3klu n LEU 12 N 6.92 1.26 0.17 -1.34 4.77 -1.26 -4.15 117.00 123.37 3klu n LEU 12 Ca -0.07 -0.47 0.09 0.00 -0.03 0.00 0.00 56.01 55.53 3klu n LEU 12 Cb 0.44 -0.04 0.61 0.00 -2.33 0.00 0.00 43.42 42.10 3klu n LEU 12 CO 0.61 0.24 1.10 0.77 -1.33 0.00 0.00 177.39 178.78 3klu h SER 13 N 1.83 0.08 0.54 -1.43 4.64 -2.00 -2.31 113.55 114.91 3klu h SER 13 Ca 0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3klu h SER 13 Cb 0.39 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3klu h SER 13 CO 0.00 0.06 -0.02 -0.26 -0.87 0.00 0.00 176.83 175.74 3klu h PHE 14 N 0.10 0.00 -2.89 4.77 0.04 -1.95 -3.44 116.94 113.57 3klu h PHE 14 Ca 0.07 0.00 -0.78 0.00 2.80 0.00 0.00 57.97 60.06 3klu h PHE 14 Cb 0.16 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 38.01 3klu h PHE 14 CO -0.00 0.02 0.57 1.19 -0.60 0.00 0.00 178.31 179.48 3klu n PHE 15 N -3.15 2.71 0.01 -0.55 3.72 -0.87 -3.89 117.46 115.43 3klu n PHE 15 Ca -0.01 -2.92 -0.21 0.00 -0.05 0.00 0.00 57.45 54.26 3klu n PHE 15 Cb 0.21 -1.20 -0.14 0.00 -0.94 0.00 0.00 39.48 37.41 3klu n PHE 15 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3klu h PRO 17 N 5.39 0.23 -2.75 -1.08 0.13 -1.90 -3.47 132.00 128.54 3klu h PRO 17 Ca 0.20 -0.39 -0.24 0.00 -0.87 0.00 0.00 66.00 64.69 3klu h PRO 17 Cb 0.64 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 3klu h PRO 17 CO 1.24 1.19 1.06 0.41 -0.23 0.00 0.00 178.00 181.66 3klu n GLY 18 N 1.70 2.68 0.00 1.56 0.00 -1.26 -4.21 105.19 105.66 3klu n GLY 18 Ca -0.23 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3klu n GLY 18 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3klu n GLN 19 N 3.23 0.00 -0.88 1.61 -0.06 -1.26 -4.99 117.38 115.03 3klu n GLN 19 Ca 0.36 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.97 3klu n GLN 19 Cb 0.42 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.52 3klu n GLN 19 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3klu n THR 20 N 0.00 0.00 -1.56 1.69 -2.24 -1.25 -4.73 114.28 106.19 3klu n THR 20 Ca 0.00 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.32 3klu n THR 20 Cb 0.00 -0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 67.89 3klu n THR 20 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3klu n ILE 21 N 3.71 1.69 -3.37 2.28 5.41 -1.26 -4.90 119.36 122.92 3klu n ILE 21 Ca 0.31 -0.42 -0.20 0.00 1.00 0.00 0.00 62.75 63.44 3klu n ILE 21 Cb -0.03 -0.80 -0.00 0.00 -0.71 0.00 0.00 39.64 38.10 3klu n ILE 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3klu s ASP 22 N -0.48 5.95 0.30 4.38 -1.08 -1.26 -5.04 116.67 119.44 3klu s ASP 22 Ca 0.64 -0.06 -0.29 0.00 -0.52 0.00 0.00 52.55 52.31 3klu s ASP 22 Cb -0.78 -1.33 -0.13 0.00 -1.46 0.00 0.00 42.92 39.23 3klu s ASP 22 CO 0.57 -0.49 1.33 0.00 0.52 0.00 0.00 175.17 177.11 3klu n ALA 23 N -1.74 1.20 -0.40 3.66 0.00 -1.26 -5.00 120.51 116.98 3klu n ALA 23 Ca -0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3klu n ALA 23 Cb 0.58 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3klu n ALA 23 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3klu n GLU 24 N 1.17 0.00 0.00 0.00 -0.00 -1.26 -4.96 120.64 115.59 3klu n GLU 24 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.24 3klu n GLU 24 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.78 3klu n GLU 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3klu n GLU 25 N 0.00 0.00 -3.60 3.44 1.02 -1.23 -4.99 120.64 115.29 3klu n GLU 25 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 3klu n GLU 25 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 3klu n GLU 25 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3klu s VAL 26 N 0.00 5.32 -0.02 2.62 1.01 0.48 -4.89 120.40 124.93 3klu s VAL 26 Ca 0.00 0.30 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 3klu s VAL 26 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3klu s VAL 26 CO 0.00 0.32 0.55 -1.61 0.00 0.00 0.00 175.10 174.36 3klu s GLU 27 N 1.12 4.26 -0.08 2.72 2.02 -1.26 -0.55 118.70 126.93 3klu s GLU 27 Ca 0.10 0.65 -0.03 0.00 0.02 0.00 0.00 54.97 55.71 3klu s GLU 27 Cb -0.14 -3.33 0.04 0.00 0.10 0.00 0.00 34.13 30.80 3klu s GLU 27 CO 0.05 0.40 0.16 0.08 0.02 0.00 0.00 175.26 175.97 3klu s VAL 28 N -0.25 -0.16 -1.22 2.63 1.01 0.16 -4.93 120.40 117.64 3klu s VAL 28 Ca 0.29 0.26 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 3klu s VAL 28 Cb -0.18 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 35.98 3klu s VAL 28 CO 0.16 0.11 1.67 -2.16 0.00 0.00 0.00 175.10 174.87 3klu s PRO 29 N 1.74 3.83 0.52 2.72 0.04 -1.26 0.89 135.00 143.48 3klu s PRO 29 Ca -0.03 -1.73 0.25 0.00 0.04 0.00 0.00 61.00 59.53 3klu s PRO 29 Cb -0.12 -5.48 1.43 0.00 0.04 0.00 0.00 34.50 30.37 3klu s PRO 29 CO -0.06 -2.30 2.09 0.82 0.04 0.00 0.00 177.00 177.59 3klu h ILE 30 N 5.93 0.68 -2.44 0.56 1.08 -1.91 -3.44 117.51 117.97 3klu h ILE 30 Ca 0.37 -0.45 -0.09 0.00 -0.39 0.00 0.00 64.86 64.31 3klu h ILE 30 Cb 0.91 1.27 -0.22 0.00 -3.07 0.00 0.00 36.82 35.71 3klu h ILE 30 CO 1.44 0.11 -0.08 -0.55 -0.69 0.00 0.00 178.15 178.38 3klu s SER 31 N -6.35 -0.55 0.00 1.72 0.15 -1.26 -4.81 113.70 102.61 3klu s SER 31 Ca -0.03 1.03 0.30 0.00 0.70 0.00 0.00 55.95 57.94 3klu s SER 31 Cb 0.14 1.04 1.40 0.00 -1.71 0.00 0.00 66.02 66.89 3klu s SER 31 CO 0.60 -0.22 1.96 0.29 1.20 0.00 0.00 173.24 177.08 3klu n LYS 32 N 2.64 0.74 0.00 5.44 5.02 -1.26 -3.37 118.16 127.36 3klu n LYS 32 Ca -0.14 -0.18 0.14 0.00 -2.02 0.00 0.00 58.31 56.11 3klu n LYS 32 Cb 0.56 -1.50 0.60 0.00 -0.02 0.00 0.00 35.03 34.68 3klu n LYS 32 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3klu n ARG 33 N -0.97 0.06 -3.65 1.97 1.74 -1.26 -4.60 116.66 109.94 3klu n ARG 33 Ca 0.16 -0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.85 3klu n ARG 33 Cb 0.24 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.07 3klu n ARG 33 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3klu s PHE 34 N -2.94 3.21 0.11 -1.55 0.08 -1.22 -5.07 117.98 110.60 3klu s PHE 34 Ca 0.16 -0.86 0.03 0.00 0.12 0.00 0.00 56.93 56.38 3klu s PHE 34 Cb 0.19 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 3klu s PHE 34 CO 0.54 -0.57 -0.09 0.14 -0.10 0.00 0.00 175.22 175.14 3klu s VAL 35 N 1.56 0.89 0.45 -0.44 -7.23 -1.26 -0.18 120.40 114.19 3klu s VAL 35 Ca 0.03 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 3klu s VAL 35 Cb -0.18 -1.58 0.09 0.00 0.56 0.00 0.00 36.38 35.26 3klu s VAL 35 CO 0.06 -0.72 0.62 -0.90 -0.31 0.00 0.00 175.10 173.85 3klu n ASP 36 N 0.17 1.08 -0.24 4.85 5.68 -0.30 -4.87 116.55 122.90 3klu n ASP 36 Ca -0.13 -1.85 0.30 0.00 -0.50 0.00 0.00 54.79 52.61 3klu n ASP 36 Cb 0.60 -0.38 0.71 0.00 -1.14 0.00 0.00 41.12 40.90 3klu n ASP 36 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3klu h LYS 37 N 0.00 0.04 -0.65 0.11 2.10 -2.02 -0.16 116.57 116.00 3klu h LYS 37 Ca -0.21 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3klu h LYS 37 Cb 0.82 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 3klu h LYS 37 CO 0.24 0.03 0.00 0.39 -2.00 0.00 0.00 179.45 178.11 3klu n GLU 38 N -4.27 3.13 -0.91 0.07 1.02 -1.26 -4.92 120.64 113.50 3klu n GLU 38 Ca 0.21 -2.01 0.00 0.00 -0.02 0.00 0.00 57.16 55.35 3klu n GLU 38 Cb 1.04 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 3klu n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3klu n GLY 39 N 0.71 0.58 3.83 0.62 0.00 -0.07 -5.01 105.19 105.85 3klu n GLY 39 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3klu n GLY 39 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3klu s ASN 40 N -2.45 6.97 0.42 1.61 0.02 -1.26 -4.78 114.94 115.47 3klu s ASN 40 Ca 0.00 1.27 -0.26 0.00 -1.02 0.00 0.00 52.86 52.85 3klu s ASN 40 Cb 0.00 -2.36 -0.09 0.00 0.02 0.00 0.00 41.25 38.81 3klu s ASN 40 CO 0.00 0.09 1.45 -0.69 0.02 0.00 0.00 177.10 177.96 3klu s VAL 41 N -1.45 2.08 -0.49 1.60 1.01 -1.26 -1.16 120.40 120.73 3klu s VAL 41 Ca 0.39 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 3klu s VAL 41 Cb -0.16 -3.04 0.11 0.00 0.00 0.00 0.00 36.38 33.28 3klu s VAL 41 CO 0.20 0.01 0.40 -0.69 0.00 0.00 0.00 175.10 175.03 3klu s VAL 42 N -1.17 4.78 0.64 2.92 1.01 0.74 -4.82 120.40 124.50 3klu s VAL 42 Ca 0.58 -1.50 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3klu s VAL 42 Cb -0.45 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 3klu s VAL 42 CO 0.59 -0.75 1.09 -2.16 0.00 0.00 0.00 175.10 173.87 3klu s PRO 43 N 1.51 2.97 0.36 2.72 0.04 -1.26 -4.79 135.00 136.55 3klu s PRO 43 Ca 0.04 1.33 -0.21 0.00 0.04 0.00 0.00 61.00 62.21 3klu s PRO 43 Cb -0.27 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 3klu s PRO 43 CO 0.02 -1.10 0.88 -0.06 0.04 0.00 0.00 177.00 176.78 3klu s PHE 44 N -2.37 3.45 -0.23 0.56 0.40 0.26 -4.76 117.98 115.29 3klu s PHE 44 Ca 0.66 1.54 -0.04 0.00 -0.60 0.00 0.00 56.93 58.49 3klu s PHE 44 Cb -0.19 -2.78 -0.01 0.00 0.51 0.00 0.00 43.02 40.56 3klu s PHE 44 CO 0.40 0.05 -0.03 0.42 0.70 0.00 0.00 175.22 176.77 3klu s ILE 45 N -1.94 3.47 0.19 0.64 1.01 0.71 0.36 121.20 125.65 3klu s ILE 45 Ca 0.56 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.77 3klu s ILE 45 Cb -0.12 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3klu s ILE 45 CO 0.17 0.38 0.07 -0.36 0.00 0.00 0.00 174.94 175.21 3klu s PHE 46 N 1.49 2.97 -0.30 3.97 0.40 0.29 0.67 117.98 127.47 3klu s PHE 46 Ca 0.05 -0.10 -0.06 0.00 -0.60 0.00 0.00 56.93 56.22 3klu s PHE 46 Cb -0.15 -1.41 0.17 0.00 0.51 0.00 0.00 43.02 42.15 3klu s PHE 46 CO -0.02 0.53 0.73 0.21 0.70 0.00 0.00 175.22 177.36 3klu s LYS 47 N -3.20 0.48 0.34 0.44 2.20 0.08 -0.39 119.74 119.70 3klu s LYS 47 Ca 0.30 0.96 -0.25 0.00 -0.36 0.00 0.00 55.97 56.62 3klu s LYS 47 Cb -0.09 0.55 -0.14 0.00 -1.51 0.00 0.00 37.83 36.64 3klu s LYS 47 CO 0.21 -0.41 0.62 0.00 -0.36 0.00 0.00 175.35 175.41 3klu n ALA 48 N 5.40 -1.60 -2.61 3.13 0.00 -1.26 -4.50 120.51 119.07 3klu n ALA 48 Ca -0.05 0.27 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 3klu n ALA 48 Cb 0.51 -1.78 0.06 0.00 0.00 0.00 0.00 19.45 18.24 3klu n ALA 48 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3klu n ILE 49 N -0.45 0.00 -2.62 0.00 -5.35 -1.26 -5.01 119.36 104.68 3klu n ILE 49 Ca 0.12 -0.92 -0.26 0.00 -0.27 0.00 0.00 62.75 61.42 3klu n ILE 49 Cb 0.35 -1.01 0.02 0.00 -1.74 0.00 0.00 39.64 37.26 3klu n ILE 49 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3klu s THR 50 N -1.41 4.16 0.14 7.28 -4.23 -1.26 -4.96 115.64 115.36 3klu s THR 50 Ca 0.36 -0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.69 3klu s THR 50 Cb -0.02 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.22 3klu s THR 50 CO 0.23 -0.56 1.57 0.74 -0.54 0.00 0.00 174.62 176.06 3klu h THR 51 N 0.09 1.27 -0.70 3.99 2.02 -1.99 -1.52 112.91 116.07 3klu h THR 51 Ca -0.46 -1.15 0.08 0.00 0.77 0.00 0.00 66.41 65.65 3klu h THR 51 Cb 1.24 1.07 -0.07 0.00 -1.74 0.00 0.00 68.15 68.65 3klu h THR 51 CO 0.60 0.40 0.37 0.44 0.37 0.00 0.00 175.52 177.70 3klu h ASP 52 N 0.71 0.51 0.03 4.18 3.32 -2.00 -1.81 116.42 121.37 3klu h ASP 52 Ca 0.12 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 3klu h ASP 52 Cb 0.59 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3klu h ASP 52 CO 0.04 0.31 -0.33 -0.09 -1.72 0.00 0.00 179.24 177.45 3klu h ARG 53 N 0.65 0.42 0.00 3.56 9.65 -1.85 -1.61 114.38 125.20 3klu h ARG 53 Ca 0.33 -0.18 -0.06 0.00 -1.10 0.00 0.00 59.98 58.97 3klu h ARG 53 Cb 0.30 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 3klu h ARG 53 CO -0.23 0.70 -0.29 0.82 2.80 0.00 0.00 179.97 183.77 3klu h ILE 54 N 0.36 0.91 0.02 1.20 2.04 -0.65 -1.92 117.51 119.47 3klu h ILE 54 Ca 0.04 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 3klu h ILE 54 Cb 0.76 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3klu h ILE 54 CO 0.06 0.28 -0.01 0.44 0.00 0.00 0.00 178.15 178.92 3klu h ASP 55 N 0.00 -0.02 -0.03 1.72 3.32 -0.50 -1.59 116.42 119.32 3klu h ASP 55 Ca -0.00 -0.54 -0.00 0.00 0.02 0.00 0.00 57.03 56.50 3klu h ASP 55 Cb 0.63 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 3klu h ASP 55 CO 0.04 0.54 0.01 -0.33 -1.72 0.00 0.00 179.24 177.78 3klu h GLU 56 N -0.59 0.06 -0.32 3.56 5.08 -1.17 -1.24 114.58 119.95 3klu h GLU 56 Ca -0.00 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 3klu h GLU 56 Cb 0.56 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3klu h GLU 56 CO 0.00 0.06 -0.37 -0.07 -1.00 0.00 0.00 179.01 177.63 3klu h LEU 57 N 0.06 0.79 0.04 1.33 3.38 -1.21 -0.13 115.31 119.58 3klu h LEU 57 Ca 0.02 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3klu h LEU 57 Cb 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3klu h LEU 57 CO -0.00 1.08 -0.02 -0.08 0.09 0.00 0.00 178.44 179.51 3klu h GLU 58 N 0.62 -0.05 -0.20 1.13 4.81 -0.23 -1.53 114.58 119.13 3klu h GLU 58 Ca 0.06 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3klu h GLU 58 Cb 0.91 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.23 3klu h GLU 58 CO 0.08 0.15 -0.29 -0.22 -0.73 0.00 0.00 179.01 178.00 3klu h LYS 59 N -0.24 -0.31 -0.32 1.92 3.64 -1.30 -0.23 116.57 119.73 3klu h LYS 59 Ca -0.01 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 3klu h LYS 59 Cb 0.22 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3klu h LYS 59 CO 0.01 -0.21 0.46 1.49 -2.27 0.00 0.00 179.45 178.93 3klu h GLU 60 N -0.32 0.00 -0.05 1.90 4.81 -0.76 -1.98 114.58 118.17 3klu h GLU 60 Ca 0.12 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3klu h GLU 60 Cb 0.51 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3klu h GLU 60 CO -0.39 0.00 -0.36 0.09 -0.73 0.00 0.00 179.01 177.63 3klu n ASN 61 N -3.47 1.96 -4.29 1.04 3.02 -0.15 -5.01 115.26 108.36 3klu n ASN 61 Ca 0.05 -3.75 -0.24 0.00 -0.03 0.00 0.00 54.58 50.61 3klu n ASN 61 Cb 0.60 -0.53 -0.13 0.00 -0.61 0.00 0.00 39.78 39.11 3klu n ASN 61 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3klu s THR 62 N -3.18 1.75 0.00 3.41 -4.23 -0.75 0.63 115.64 113.27 3klu s THR 62 Ca 0.38 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 3klu s THR 62 Cb 0.36 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.62 3klu s THR 62 CO -0.04 -0.04 0.00 0.35 -0.54 0.00 0.00 174.62 174.35 3klu n THR 63 N 1.11 0.00 -1.23 3.99 -2.24 -1.26 -4.92 114.28 109.73 3klu n THR 63 Ca -0.19 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3klu n THR 63 Cb 0.53 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3klu n THR 63 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3klu n GLU 75 N 0.00 -0.04 -4.45 -0.78 4.07 -1.26 -5.09 120.64 113.09 3klu n GLU 75 Ca 0.00 0.52 -0.34 0.00 -0.06 0.00 0.00 57.16 57.29 3klu n GLU 75 Cb 0.30 -0.75 -0.12 0.00 -0.06 0.00 0.00 31.44 30.80 3klu n GLU 75 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3klu s LEU 76 N -0.00 3.16 -1.03 4.31 2.96 -1.26 -5.01 118.68 121.81 3klu s LEU 76 Ca -0.00 -0.16 -0.22 0.00 -0.22 0.00 0.00 54.13 53.53 3klu s LEU 76 Cb 0.00 -1.76 0.07 0.00 0.50 0.00 0.00 46.19 45.00 3klu s LEU 76 CO 0.00 0.16 1.42 -0.62 -1.32 0.00 0.00 176.35 176.00 3klu s ASP 77 N 0.38 6.57 0.07 3.68 -1.08 0.20 -4.84 116.67 121.66 3klu s ASP 77 Ca -0.05 -1.69 -0.25 0.00 -0.52 0.00 0.00 52.55 50.04 3klu s ASP 77 Cb -0.14 -2.54 -0.16 0.00 -1.46 0.00 0.00 42.92 38.62 3klu s ASP 77 CO 0.03 -1.38 1.64 0.28 0.52 0.00 0.00 175.17 176.26 3klu h SER 78 N 9.35 -0.15 -0.74 -0.34 0.02 -1.97 0.61 113.55 120.34 3klu h SER 78 Ca 0.22 -0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.23 3klu h SER 78 Cb 1.00 0.04 -0.13 0.00 0.14 0.00 0.00 62.40 63.44 3klu h SER 78 CO 1.37 -0.04 -0.36 -0.61 -1.14 0.00 0.00 176.83 176.05 3klu h GLN 79 N -0.24 -0.10 -0.40 3.45 5.75 -1.99 0.44 115.11 122.02 3klu h GLN 79 Ca -0.02 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 3klu h GLN 79 Cb 0.19 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 3klu h GLN 79 CO 0.03 -0.07 -0.05 -0.09 -2.65 0.00 0.00 178.83 176.00 3klu h ARG 80 N -0.11 0.73 0.07 1.69 9.65 -1.94 -2.07 114.38 122.40 3klu h ARG 80 Ca 0.27 -0.26 0.02 0.00 -1.10 0.00 0.00 59.98 58.91 3klu h ARG 80 Cb 0.57 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.07 3klu h ARG 80 CO -0.79 0.85 -0.18 0.35 2.80 0.00 0.00 179.97 182.99 3klu h PHE 81 N 0.55 -0.47 -0.53 2.20 3.57 0.86 -0.52 116.94 122.60 3klu h PHE 81 Ca 0.11 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 3klu h PHE 81 Cb 0.55 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3klu h PHE 81 CO 0.04 -0.26 0.03 1.88 -2.23 0.00 0.00 178.31 177.77 3klu h TYR 82 N -0.33 0.93 -0.37 0.41 0.05 -0.19 -1.79 116.97 115.69 3klu h TYR 82 Ca 0.04 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 3klu h TYR 82 Cb 0.36 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 3klu h TYR 82 CO -0.20 0.83 0.15 0.00 -1.05 0.00 0.00 178.16 177.90 3klu h ALA 83 N 1.21 0.48 -0.88 3.88 0.00 -1.12 -0.54 119.26 122.29 3klu h ALA 83 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3klu h ALA 83 Cb 0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3klu h ALA 83 CO 0.02 0.08 0.51 0.00 0.00 0.00 0.00 179.25 179.86 3klu h ARG 84 N 0.46 1.20 -0.40 0.00 2.47 -0.82 0.26 114.38 117.54 3klu h ARG 84 Ca 0.12 -0.12 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3klu h ARG 84 Cb 0.18 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 3klu h ARG 84 CO -0.01 0.86 0.26 0.82 0.56 0.00 0.00 179.97 182.45 3klu h ILE 85 N 1.21 1.08 -0.20 2.04 2.04 -0.53 -2.17 117.51 120.99 3klu h ILE 85 Ca 0.31 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3klu h ILE 85 Cb -0.02 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3klu h ILE 85 CO -0.05 0.10 0.13 0.00 0.00 0.00 0.00 178.15 178.32 3klu h ALA 86 N 1.16 0.26 -0.41 1.87 0.00 -0.46 0.34 119.26 122.02 3klu h ALA 86 Ca 0.15 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3klu h ALA 86 Cb -0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 3klu h ALA 86 CO -0.04 -0.26 -0.03 0.28 0.00 0.00 0.00 179.25 179.20 3klu h VAL 87 N 0.27 0.66 0.00 0.00 2.07 -0.72 -0.52 116.25 118.01 3klu h VAL 87 Ca 0.07 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 3klu h VAL 87 Cb -0.02 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3klu h VAL 87 CO -0.02 0.01 -0.41 -0.33 0.02 0.00 0.00 177.57 176.85 3klu h GLU 88 N 0.07 0.00 0.00 1.57 5.08 -1.03 -2.68 114.58 117.59 3klu h GLU 88 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3klu h GLU 88 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3klu h GLU 88 CO -0.36 0.41 0.00 1.15 -1.00 0.00 0.00 179.01 179.21 3klu h THR 89 N 0.00 0.00 -3.39 1.13 2.02 0.20 -3.42 112.91 109.44 3klu h THR 89 Ca -0.00 -0.46 -0.69 0.00 0.77 0.00 0.00 66.41 66.03 3klu h THR 89 Cb 1.07 1.40 -0.19 0.00 -1.74 0.00 0.00 68.15 68.70 3klu h THR 89 CO 0.05 0.00 -0.10 -0.89 0.37 0.00 0.00 175.52 174.96 3klu s THR 90 N -3.16 5.00 0.08 3.16 2.01 -0.25 -0.74 115.64 121.74 3klu s THR 90 Ca 0.09 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.46 3klu s THR 90 Cb 0.11 -4.17 -0.14 0.00 0.01 0.00 0.00 72.50 68.32 3klu s THR 90 CO 0.56 -0.61 1.32 0.58 -0.69 0.00 0.00 174.62 175.78 3klu h VAL 91 N 5.80 1.32 -2.82 3.82 2.07 -0.02 -3.36 116.25 123.06 3klu h VAL 91 Ca -0.27 -1.71 -0.26 0.00 0.82 0.00 0.00 66.70 65.29 3klu h VAL 91 Cb 1.10 1.91 -0.34 0.00 -1.52 0.00 0.00 31.29 32.44 3klu h VAL 91 CO 0.88 0.53 -0.58 -0.47 0.02 0.00 0.00 177.57 177.95 3klu s TYR 92 N -3.96 -0.33 0.25 1.57 5.04 -1.02 -3.57 117.35 115.32 3klu s TYR 92 Ca -0.12 0.70 -0.19 0.00 -2.44 0.00 0.00 57.07 55.02 3klu s TYR 92 Cb 0.07 -0.17 -0.08 0.00 0.35 0.00 0.00 41.96 42.13 3klu s TYR 92 CO 0.84 -0.40 0.74 -1.25 -1.34 0.00 0.00 175.55 174.14 3klu s PRO 93 N 2.37 4.22 -0.33 4.97 0.04 -1.26 -0.21 135.00 144.81 3klu s PRO 93 Ca 0.03 0.86 -0.17 0.00 0.04 0.00 0.00 61.00 61.77 3klu s PRO 93 Cb -0.13 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.60 3klu s PRO 93 CO -0.09 0.35 0.44 -0.08 0.04 0.00 0.00 177.00 177.66 3klu s THR 94 N -1.61 5.09 -1.68 1.26 -1.32 -1.23 -4.87 115.64 111.28 3klu s THR 94 Ca 0.45 0.32 0.10 0.00 -1.21 0.00 0.00 61.69 61.36 3klu s THR 94 Cb -0.16 -3.86 0.23 0.00 -1.51 0.00 0.00 72.50 67.20 3klu s THR 94 CO 0.20 -0.09 1.15 0.49 -2.21 0.00 0.00 174.62 174.17 3klu n PHE 95 N 5.54 0.00 0.78 9.09 3.72 -1.26 -1.40 117.46 133.94 3klu n PHE 95 Ca -0.07 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.45 3klu n PHE 95 Cb 0.49 -0.16 0.21 0.00 -0.94 0.00 0.00 39.48 39.08 3klu n PHE 95 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3klu n LYS 96 N -1.16 0.15 -1.65 -1.08 5.02 -1.26 -4.46 118.16 113.72 3klu n LYS 96 Ca 0.06 0.04 -0.46 0.00 -2.02 0.00 0.00 58.31 55.92 3klu n LYS 96 Cb 0.06 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.45 3klu n LYS 96 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3klu n ALA 97 N -1.67 0.77 -0.35 7.82 0.00 -0.49 -4.79 120.51 121.80 3klu n ALA 97 Ca 0.04 0.44 0.07 0.00 0.00 0.00 0.00 53.44 53.99 3klu n ALA 97 Cb 0.39 -2.25 0.23 0.00 0.00 0.00 0.00 19.45 17.82 3klu n ALA 97 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3klu h LYS 98 N 4.77 0.90 -0.96 0.00 1.63 -1.91 -0.40 116.57 120.60 3klu h LYS 98 Ca -0.45 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.31 3klu h LYS 98 Cb 1.28 -0.20 -0.05 0.00 -0.60 0.00 0.00 32.23 32.66 3klu h LYS 98 CO 0.80 0.60 0.63 1.49 -3.45 0.00 0.00 179.45 179.52 3klu h GLU 99 N 0.93 1.23 0.01 1.90 4.81 -1.97 0.29 114.58 121.78 3klu h GLU 99 Ca 0.48 -0.07 -0.22 0.00 -0.13 0.00 0.00 59.36 59.42 3klu h GLU 99 Cb 0.50 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3klu h GLU 99 CO -0.28 0.82 -0.95 -0.07 -0.73 0.00 0.00 179.01 177.80 3klu h LEU 100 N 1.27 0.49 -0.70 1.64 3.38 -1.59 -1.61 115.31 118.20 3klu h LEU 100 Ca 0.36 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3klu h LEU 100 Cb -0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3klu h LEU 100 CO -0.09 1.20 0.14 0.03 0.09 0.00 0.00 178.44 179.81 3klu h ARG 101 N 0.21 1.14 0.56 1.13 3.08 -0.49 -2.02 114.38 117.98 3klu h ARG 101 Ca -0.08 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.65 3klu h ARG 101 Cb 1.59 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.50 3klu h ARG 101 CO 0.16 1.02 -0.27 0.93 -1.07 0.00 0.00 179.97 180.74 3klu h GLU 102 N 1.07 -0.73 -0.98 0.04 4.39 -0.96 -1.33 114.58 116.09 3klu h GLU 102 Ca 0.21 0.05 0.16 0.00 0.34 0.00 0.00 59.36 60.13 3klu h GLU 102 Cb 0.42 0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 29.13 3klu h GLU 102 CO 0.01 -0.48 0.59 0.00 -1.16 0.00 0.00 179.01 177.96 3klu h ALA 103 N -1.52 1.56 -0.16 3.43 0.00 -1.28 0.43 119.26 121.71 3klu h ALA 103 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3klu h ALA 103 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3klu h ALA 103 CO 0.13 0.03 0.00 0.66 0.00 0.00 0.00 179.25 180.06 3klu n TYR 104 N -4.74 0.20 -3.64 0.00 4.01 -0.76 -4.98 117.16 107.25 3klu n TYR 104 Ca 0.21 -0.10 -0.25 0.00 -0.16 0.00 0.00 57.90 57.60 3klu n TYR 104 Cb 0.49 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.55 3klu n TYR 104 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3klu n LYS 105 N 0.66 -2.86 -3.63 -0.72 5.02 0.14 -5.02 118.16 111.75 3klu n LYS 105 Ca 0.17 0.58 -0.11 0.00 -2.02 0.00 0.00 58.31 56.93 3klu n LYS 105 Cb 0.43 -4.81 -0.07 0.00 -0.02 0.00 0.00 35.03 30.56 3klu n LYS 105 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3klu s THR 106 N -3.57 0.00 -1.87 -0.18 -1.32 -0.58 -5.02 115.64 103.10 3klu s THR 106 Ca 0.27 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.02 3klu s THR 106 Cb -0.08 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.29 3klu s THR 106 CO 0.83 0.00 1.69 -0.62 -2.21 0.00 0.00 174.62 174.30 3klu n GLU 107 N 2.94 0.96 -2.92 7.08 -0.58 -1.26 -4.45 120.64 122.40 3klu n GLU 107 Ca -0.15 -0.51 -0.43 0.00 -0.42 0.00 0.00 57.16 55.65 3klu n GLU 107 Cb 0.56 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.89 3klu n GLU 107 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3klu s ASP 108 N -2.39 6.33 0.52 1.62 2.15 -1.26 -4.91 116.67 118.72 3klu s ASP 108 Ca 0.29 -0.41 0.24 0.00 0.43 0.00 0.00 52.55 53.10 3klu s ASP 108 Cb 0.20 -2.40 1.36 0.00 -0.30 0.00 0.00 42.92 41.78 3klu s ASP 108 CO 0.47 -1.10 1.98 -0.65 -0.17 0.00 0.00 175.17 175.69 3klu h PRO 109 N 9.19 0.05 -0.03 4.34 0.11 -1.86 0.24 132.00 144.04 3klu h PRO 109 Ca -0.26 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.69 3klu h PRO 109 Cb 1.08 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3klu h PRO 109 CO 1.04 0.04 -0.68 0.28 -0.21 0.00 0.00 178.00 178.47 3klu h VAL 110 N 0.06 1.44 -0.00 3.15 2.07 -1.91 -1.41 116.25 119.64 3klu h VAL 110 Ca 0.28 -2.19 -0.24 0.00 0.82 0.00 0.00 66.70 65.36 3klu h VAL 110 Cb 1.05 2.16 0.01 0.00 -1.52 0.00 0.00 31.29 32.99 3klu h VAL 110 CO -0.02 0.64 -0.98 -0.08 0.02 0.00 0.00 177.57 177.15 3klu h GLU 111 N 0.11 0.55 -0.44 1.57 4.57 -1.07 -1.90 114.58 117.97 3klu h GLU 111 Ca -0.01 -0.58 0.06 0.00 -1.18 0.00 0.00 59.36 57.64 3klu h GLU 111 Cb 1.21 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.91 3klu h GLU 111 CO 0.10 1.21 0.16 0.28 -1.18 0.00 0.00 179.01 179.57 3klu h VAL 112 N 0.31 0.86 -0.64 0.32 2.07 -0.67 0.64 116.25 119.14 3klu h VAL 112 Ca -0.10 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3klu h VAL 112 Cb 1.62 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 3klu h VAL 112 CO 0.18 0.06 0.39 0.00 0.02 0.00 0.00 177.57 178.22 3klu h ALA 113 N 1.29 0.84 -0.21 1.67 0.00 -1.02 0.34 119.26 122.17 3klu h ALA 113 Ca 0.20 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3klu h ALA 113 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3klu h ALA 113 CO -0.21 0.12 -0.21 0.87 0.00 0.00 0.00 179.25 179.83 3klu h LYS 114 N 0.75 0.36 0.01 0.00 1.57 -0.44 0.18 116.57 119.01 3klu h LYS 114 Ca 0.26 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.73 3klu h LYS 114 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3klu h LYS 114 CO -0.12 0.56 -0.90 0.00 -0.57 0.00 0.00 179.45 178.42 3klu h ARG 115 N 0.33 0.19 0.02 3.15 3.08 -0.45 -3.25 114.38 117.45 3klu h ARG 115 Ca 0.06 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3klu h ARG 115 Cb 0.56 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3klu h ARG 115 CO 0.04 0.97 -0.01 0.28 -1.07 0.00 0.00 179.97 180.17 3klu h VAL 116 N 0.10 1.46 -1.16 2.04 2.07 -0.46 -3.29 116.25 117.00 3klu h VAL 116 Ca -0.05 -1.63 -0.74 0.00 0.82 0.00 0.00 66.70 65.10 3klu h VAL 116 Cb 1.55 2.53 -0.13 0.00 -1.52 0.00 0.00 31.29 33.72 3klu h VAL 116 CO 0.14 0.41 2.35 0.18 0.02 0.00 0.00 177.57 180.66 3klu n LEU 117 N -4.76 7.47 0.00 2.57 4.77 0.60 -4.77 117.00 122.87 3klu n LEU 117 Ca -0.09 -4.74 0.10 0.00 -0.03 0.00 0.00 56.01 51.25 3klu n LEU 117 Cb 0.34 -1.43 0.58 0.00 -2.33 0.00 0.00 43.42 40.59 3klu n LEU 117 CO 0.32 1.75 0.78 -1.54 -1.33 0.00 0.00 177.39 177.37 3klu n SER 118 N 2.84 0.00 -4.53 -1.43 3.41 -1.23 -4.12 113.62 108.57 3klu n SER 118 Ca 0.53 -0.59 -0.37 0.00 -0.26 0.00 0.00 58.87 58.18 3klu n SER 118 Cb 0.30 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.12 3klu n SER 118 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3klu s VAL 119 N -2.02 4.87 0.08 -3.33 1.01 -1.26 -5.01 120.40 114.74 3klu s VAL 119 Ca 0.29 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 3klu s VAL 119 Cb 0.14 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3klu s VAL 119 CO 0.23 0.29 1.02 0.61 0.00 0.00 0.00 175.10 177.26 3klu n GLY 120 N 4.96 -2.08 0.35 4.51 0.00 -1.26 -0.60 105.19 111.07 3klu n GLY 120 Ca -0.15 0.75 0.14 0.00 0.00 0.00 0.00 46.02 46.76 3klu n GLY 120 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3klu h GLY 121 N 0.00 1.79 0.94 -0.02 0.00 -1.95 -0.92 103.07 102.91 3klu h GLY 121 Ca 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3klu h GLY 121 CO -0.48 -0.13 0.14 0.83 0.00 0.00 0.00 176.54 176.90 3klu h GLU 122 N 0.68 0.38 -0.67 4.80 5.08 -1.17 0.19 114.58 123.87 3klu h GLU 122 Ca 0.59 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 3klu h GLU 122 Cb 1.00 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 3klu h GLU 122 CO -0.42 0.35 0.42 -0.92 -1.00 0.00 0.00 179.01 177.44 3klu h TYR 123 N 0.31 0.86 -0.53 4.33 3.20 -0.85 0.14 116.97 124.43 3klu h TYR 123 Ca 0.09 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 3klu h TYR 123 Cb 0.09 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3klu h TYR 123 CO -0.03 0.56 -0.09 0.00 -1.64 0.00 0.00 178.16 176.96 3klu h ALA 124 N 1.23 0.84 -0.49 1.82 0.00 -1.02 -1.92 119.26 119.72 3klu h ALA 124 Ca 0.24 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3klu h ALA 124 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3klu h ALA 124 CO -0.05 0.66 -0.15 -0.91 0.00 0.00 0.00 179.25 178.80 3klu h ASN 125 N 0.87 0.94 -0.31 0.00 2.35 -0.57 -1.94 115.58 116.92 3klu h ASN 125 Ca 0.14 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 3klu h ASN 125 Cb 0.64 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3klu h ASN 125 CO 0.04 1.08 0.18 -0.25 -1.65 0.00 0.00 177.43 176.83 3klu h TRP 126 N 0.83 0.42 0.09 1.19 7.01 -0.48 -0.50 115.95 124.50 3klu h TRP 126 Ca 0.12 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.13 3klu h TRP 126 Cb 0.69 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 3klu h TRP 126 CO 0.04 0.33 -0.17 -0.07 -2.79 0.00 0.00 178.44 175.77 3klu h LEU 127 N 0.38 -0.49 -0.82 0.65 3.38 -1.13 -1.76 115.31 115.52 3klu h LEU 127 Ca 0.11 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3klu h LEU 127 Cb 0.04 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3klu h LEU 127 CO -0.02 -0.25 0.35 0.78 0.09 0.00 0.00 178.44 179.39 3klu h ASN 128 N -0.33 1.10 -0.85 -0.43 2.35 -1.24 -1.46 115.58 114.72 3klu h ASN 128 Ca 0.03 -0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3klu h ASN 128 Cb 0.36 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 3klu h ASN 128 CO -0.10 0.96 0.55 0.50 -1.65 0.00 0.00 177.43 177.69 3klu h LYS 129 N 1.18 1.06 -0.29 0.81 1.63 -0.75 -0.19 116.57 120.02 3klu h LYS 129 Ca 0.28 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 60.01 3klu h LYS 129 Cb 0.18 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 3klu h LYS 129 CO -0.03 0.70 0.17 0.00 -3.45 0.00 0.00 179.45 176.85 3klu h ALA 130 N 1.34 0.37 -0.90 5.00 0.00 -0.78 0.59 119.26 124.87 3klu h ALA 130 Ca 0.33 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3klu h ALA 130 Cb -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3klu h ALA 130 CO -0.10 -0.14 0.55 0.82 0.00 0.00 0.00 179.25 180.38 3klu h ILE 131 N 0.37 1.25 -0.21 0.00 1.08 -0.84 -2.27 117.51 116.88 3klu h ILE 131 Ca 0.10 -0.52 -0.08 0.00 -0.39 0.00 0.00 64.86 63.97 3klu h ILE 131 Cb 0.01 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 33.72 3klu h ILE 131 CO -0.02 0.26 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.42 3klu h GLU 132 N 1.24 0.50 -0.09 2.37 4.81 -0.47 -2.49 114.58 120.46 3klu h GLU 132 Ca 0.33 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3klu h GLU 132 Cb -0.07 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3klu h GLU 132 CO -0.06 0.84 0.13 0.82 -0.73 0.00 0.00 179.01 180.01 3klu h ILE 133 N 0.18 0.33 -0.53 2.32 1.08 0.62 -0.72 117.51 120.79 3klu h ILE 133 Ca 0.03 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.36 3klu h ILE 133 Cb 0.74 0.89 -0.08 0.00 -3.07 0.00 0.00 36.82 35.29 3klu h ILE 133 CO 0.05 0.00 0.18 0.59 -0.69 0.00 0.00 178.15 178.28 3klu n ASN 134 N -3.56 4.13 0.00 1.72 3.02 -0.90 -4.30 115.26 115.38 3klu n ASN 134 Ca -0.01 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.68 3klu n ASN 134 Cb 0.23 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 3klu n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3klu n GLY 135 N 0.03 0.22 3.63 7.41 0.00 -0.28 -4.98 105.19 111.22 3klu n GLY 135 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 3klu n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3klu s PHE 136 N -1.52 3.19 0.00 1.61 0.08 -0.96 -5.02 117.98 115.36 3klu s PHE 136 Ca 0.00 1.04 0.00 0.00 0.12 0.00 0.00 56.93 58.09 3klu s PHE 136 Cb 0.00 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.99 3klu s PHE 136 CO 0.00 -0.66 0.00 -3.47 -0.10 0.00 0.00 175.22 170.99