#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm n ASN 2 N 0.00 0.00 -4.55 6.12 4.13 -1.26 -4.14 115.26 115.56 3knm n ASN 2 Ca 0.00 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.91 3knm n ASN 2 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 3knm n ASN 2 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3knm s ARG 3 N 0.00 2.74 0.65 3.52 1.81 -1.26 -4.62 118.95 121.80 3knm s ARG 3 Ca 0.00 0.07 0.42 0.00 -1.72 0.00 0.00 55.73 54.50 3knm s ARG 3 Cb 0.00 -4.67 2.29 0.00 -0.45 0.00 0.00 34.95 32.12 3knm s ARG 3 CO 0.00 -2.84 2.29 0.78 -0.68 0.00 0.00 175.30 174.85 3knm h GLY 4 N 16.24 0.00 0.00 -3.53 0.00 -2.02 -2.74 103.07 111.02 3knm h GLY 4 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3knm h GLY 4 CO 1.24 0.00 -0.65 0.00 0.00 0.00 0.00 176.54 177.13 3knm n ALA 5 N -2.04 0.52 0.23 3.60 0.00 -1.26 -3.96 120.51 117.60 3knm n ALA 5 Ca -0.03 -0.46 0.15 0.00 0.00 0.00 0.00 53.44 53.10 3knm n ALA 5 Cb 0.11 -0.04 0.77 0.00 0.00 0.00 0.00 19.45 20.29 3knm n ALA 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3knm h LEU 6 N -1.00 0.00 0.05 0.00 6.46 -1.93 0.14 115.31 119.03 3knm h LEU 6 Ca -0.04 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3knm h LEU 6 Cb 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 3knm h LEU 6 CO -0.03 0.00 -0.02 0.40 -0.62 0.00 0.00 178.44 178.17 3knm h ILE 7 N 0.00 1.31 0.00 4.05 2.04 -1.68 -1.29 117.51 121.94 3knm h ILE 7 Ca 0.00 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.59 3knm h ILE 7 Cb 0.04 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3knm h ILE 7 CO 0.00 0.31 -0.01 0.50 0.00 0.00 0.00 178.15 178.96 3knm h LYS 8 N -0.64 0.00 0.00 2.37 3.64 -0.96 0.28 116.57 121.27 3knm h LYS 8 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3knm h LYS 8 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3knm h LYS 8 CO 0.01 0.01 -0.54 -0.07 -2.27 0.00 0.00 179.45 176.58 3knm h LEU 9 N 0.00 0.00 -2.50 5.20 3.38 -0.74 -3.04 115.31 117.61 3knm h LEU 9 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3knm h LEU 9 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3knm h LEU 9 CO 0.00 0.09 0.00 0.52 0.09 0.00 0.00 178.44 179.14 3knm n VAL 10 N -2.17 1.57 -0.13 1.22 0.31 0.98 -3.77 118.33 116.33 3knm n VAL 10 Ca 0.03 -0.88 -0.24 0.00 -0.01 0.00 0.00 64.34 63.25 3knm n VAL 10 Cb 0.44 -0.18 -0.11 0.00 -0.91 0.00 0.00 33.84 33.08 3knm n VAL 10 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3knm n GLU 11 N 0.56 0.62 -0.40 5.55 4.07 -1.12 -4.77 120.64 125.14 3knm n GLU 11 Ca 0.18 0.20 -0.09 0.00 -0.06 0.00 0.00 57.16 57.40 3knm n GLU 11 Cb 0.77 -1.51 -0.03 0.00 -0.06 0.00 0.00 31.44 30.61 3knm n GLU 11 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3knm n SER 12 N -3.72 2.46 -0.92 4.31 7.64 -1.25 -4.57 113.62 117.57 3knm n SER 12 Ca -0.50 -2.02 -0.01 0.00 1.01 0.00 0.00 58.87 57.35 3knm n SER 12 Cb 0.94 -0.69 0.01 0.00 -1.01 0.00 0.00 64.21 63.47 3knm n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3knm n ARG 13 N 3.69 1.10 -0.61 1.43 5.12 -1.26 -2.34 116.66 123.80 3knm n ARG 13 Ca 0.21 -0.15 0.06 0.00 -1.93 0.00 0.00 57.85 56.04 3knm n ARG 13 Cb 0.20 -1.20 0.15 0.00 -1.16 0.00 0.00 32.46 30.45 3knm n ARG 13 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3knm n TYR 14 N 0.30 0.00 -3.55 -1.55 4.02 -1.26 -5.02 117.16 110.10 3knm n TYR 14 Ca 0.03 -1.14 -0.39 0.00 -0.01 0.00 0.00 57.90 56.39 3knm n TYR 14 Cb 0.48 -0.20 -0.11 0.00 -0.02 0.00 0.00 39.34 39.50 3knm n TYR 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3knm s VAL 15 N -2.47 5.28 0.23 -0.72 0.11 -0.99 -4.64 120.40 117.20 3knm s VAL 15 Ca 0.34 0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 59.26 3knm s VAL 15 Cb 0.33 -3.59 -0.09 0.00 -1.53 0.00 0.00 36.38 31.50 3knm s VAL 15 CO -0.06 0.19 1.06 -0.13 -3.33 0.00 0.00 175.10 172.83 3knm s ARG 16 N 1.81 4.67 -0.09 1.54 1.81 -1.26 -4.93 118.95 122.49 3knm s ARG 16 Ca 0.08 1.70 0.10 0.00 -1.72 0.00 0.00 55.73 55.89 3knm s ARG 16 Cb -0.16 -3.25 -0.15 0.00 -0.45 0.00 0.00 34.95 30.94 3knm s ARG 16 CO 0.11 0.22 0.09 -2.37 -0.68 0.00 0.00 175.30 172.67 3knm n THR 17 N 1.76 0.58 -0.16 0.02 5.66 -1.26 -4.66 114.28 116.21 3knm n THR 17 Ca 0.00 -0.42 0.08 0.00 -3.05 0.00 0.00 64.05 60.66 3knm n THR 17 Cb 0.46 -0.48 0.39 0.00 -1.55 0.00 0.00 70.33 69.16 3knm n THR 17 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 3knm h ASP 18 N 0.00 0.59 -3.00 1.09 2.03 -2.01 -3.45 116.42 111.66 3knm h ASP 18 Ca -0.23 0.01 -0.57 0.00 -0.73 0.00 0.00 57.03 55.51 3knm h ASP 18 Cb 1.41 -0.12 0.09 0.00 -0.83 0.00 0.00 39.33 39.88 3knm h ASP 18 CO 0.01 0.37 0.65 0.00 -1.03 0.00 0.00 179.24 179.24 3knm n LEU 19 N -4.49 3.54 -4.76 0.15 -0.00 -1.26 -5.00 117.00 105.19 3knm n LEU 19 Ca 0.11 1.16 -0.35 0.00 -0.00 0.00 0.00 56.01 56.93 3knm n LEU 19 Cb 0.28 -1.48 0.03 0.00 -0.00 0.00 0.00 43.42 42.25 3knm n LEU 19 CO 0.33 -0.33 0.80 -2.84 -0.00 0.00 0.00 177.39 175.36 3knm s PRO 20 N -0.84 2.97 0.54 1.47 0.02 -1.26 -5.05 135.00 132.86 3knm s PRO 20 Ca 0.64 1.68 -0.11 0.00 0.02 0.00 0.00 61.00 63.22 3knm s PRO 20 Cb -0.59 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 31.93 3knm s PRO 20 CO 0.53 -1.17 0.94 -2.00 -0.33 0.00 0.00 177.00 174.97 3knm s GLU 21 N -3.51 3.69 0.00 5.54 2.56 -1.26 -5.07 118.70 120.65 3knm s GLU 21 Ca 0.74 0.66 0.00 0.00 0.00 0.00 0.00 54.97 56.37 3knm s GLU 21 Cb -0.27 -2.18 0.00 0.00 2.00 0.00 0.00 34.13 33.68 3knm s GLU 21 CO 0.34 -0.37 0.00 1.97 -0.56 0.00 0.00 175.26 176.64 3knm n PHE 22 N -2.22 0.00 -4.64 5.30 1.16 -1.26 -5.03 117.46 110.78 3knm n PHE 22 Ca 0.05 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.33 3knm n PHE 22 Cb 0.54 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.32 3knm n PHE 22 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 3knm s ARG 23 N -0.58 2.08 0.00 3.97 1.70 -1.26 -4.95 118.95 119.91 3knm s ARG 23 Ca 0.00 -2.22 0.00 0.00 -0.47 0.00 0.00 55.73 53.04 3knm s ARG 23 Cb 0.00 -1.62 0.00 0.00 -0.57 0.00 0.00 34.95 32.76 3knm s ARG 23 CO 0.00 -0.20 0.00 -2.30 -1.08 0.00 0.00 175.30 171.72 3knm n PRO 24 N -1.13 0.00 -0.02 3.89 -0.02 -1.26 -4.29 135.00 132.18 3knm n PRO 24 Ca -0.11 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.36 3knm n PRO 24 Cb 0.67 -0.27 -0.00 0.00 -0.02 0.00 0.00 33.50 33.88 3knm n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knm n GLY 25 N 0.57 -0.59 0.00 -1.23 0.00 -1.26 -4.28 105.19 98.40 3knm n GLY 25 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3knm n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3knm n ASP 26 N -2.85 0.00 0.00 1.61 4.64 -1.24 -3.56 116.55 115.16 3knm n ASP 26 Ca -0.02 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.39 3knm n ASP 26 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.16 3knm n ASP 26 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 3knm n THR 27 N 0.00 0.00 -0.07 5.18 5.66 -1.11 -3.14 114.28 120.80 3knm n THR 27 Ca 0.00 0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 3knm n THR 27 Cb 0.00 -0.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.47 3knm n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3knm n VAL 28 N 0.00 -0.39 0.00 1.08 0.31 -1.24 0.22 118.33 118.31 3knm n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knm n VAL 28 Cb 0.00 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 3knm n VAL 28 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3knm n ARG 29 N 2.20 0.00 0.00 5.55 3.00 0.37 -4.27 116.66 123.51 3knm n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3knm n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3knm n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3knm n VAL 30 N -1.41 0.00 0.00 1.55 0.24 -1.25 -4.04 118.33 113.42 3knm n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3knm n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3knm n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3knm n SER 31 N 0.00 0.00 0.00 -1.34 3.41 -0.97 -4.69 113.62 110.03 3knm n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3knm n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3knm n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3knm n TYR 32 N -0.85 0.00 -0.96 7.33 0.18 -1.03 -3.65 117.16 118.18 3knm n TYR 32 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3knm n TYR 32 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3knm n TYR 32 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3knm n LYS 33 N 0.00 -0.16 -4.46 -3.48 4.76 -1.26 -4.06 118.16 109.50 3knm n LYS 33 Ca 0.00 0.60 -0.24 0.00 -2.87 0.00 0.00 58.31 55.79 3knm n LYS 33 Cb 0.00 -0.54 -0.10 0.00 -1.84 0.00 0.00 35.03 32.55 3knm n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3knm s VAL 34 N -0.02 2.54 0.00 -0.18 1.01 -1.26 -3.85 120.40 118.64 3knm s VAL 34 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 61.98 59.69 3knm s VAL 34 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3knm s VAL 34 CO 0.00 -0.35 0.00 2.29 0.00 0.00 0.00 175.10 177.04 3knm n LYS 35 N -0.70 0.00 0.00 2.72 2.85 -0.93 -4.99 118.16 117.11 3knm n LYS 35 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 3knm n LYS 35 Cb 0.61 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.99 3knm n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3knm n GLU 36 N 0.00 0.00 0.00 -1.58 2.13 -1.26 -4.01 120.64 115.92 3knm n GLU 36 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3knm n GLU 36 Cb 0.00 -0.49 0.00 0.00 0.27 0.00 0.00 31.44 31.22 3knm n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3knm n GLY 37 N 0.38 2.92 3.67 8.31 0.00 -1.26 -4.93 105.19 114.27 3knm n GLY 37 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3knm n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm s ASN 38 N -0.81 5.35 0.00 1.61 6.03 -1.26 -5.04 114.94 120.83 3knm s ASN 38 Ca 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 52.86 51.96 3knm s ASN 38 Cb 0.00 -1.65 0.00 0.00 -3.03 0.00 0.00 41.25 36.57 3knm s ASN 38 CO 0.00 0.32 0.11 0.54 -2.03 0.00 0.00 177.10 176.03 3knm n ARG 39 N 2.56 0.00 0.00 3.55 1.74 -1.26 -2.18 116.66 121.07 3knm n ARG 39 Ca -0.18 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3knm n ARG 39 Cb 0.53 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 3knm n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3knm n THR 40 N -0.61 0.00 0.00 0.55 -2.24 -1.26 -4.07 114.28 106.65 3knm n THR 40 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3knm n THR 40 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3knm n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3knm n ARG 41 N 0.00 0.00 -2.51 -0.78 0.00 -1.25 -4.95 116.66 107.17 3knm n ARG 41 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 3knm n ARG 41 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 3knm n ARG 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3knm s ILE 42 N 0.00 4.08 -0.11 5.15 1.09 -1.25 -4.19 121.20 125.96 3knm s ILE 42 Ca 0.00 1.10 -0.05 0.00 -1.10 0.00 0.00 60.65 60.59 3knm s ILE 42 Cb 0.00 -4.47 -0.04 0.00 -1.06 0.00 0.00 42.46 36.90 3knm s ILE 42 CO 0.00 -0.94 0.08 -1.58 -0.10 0.00 0.00 174.94 172.40 3knm s GLN 43 N 4.67 3.33 0.11 2.79 0.74 -1.24 -4.84 119.66 125.22 3knm s GLN 43 Ca 0.53 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.67 3knm s GLN 43 Cb -0.09 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 30.94 3knm s GLN 43 CO 0.32 0.69 0.26 -0.51 -0.55 0.00 0.00 175.29 175.50 3knm s ASP 44 N -0.80 6.37 -0.27 6.67 1.11 -1.26 -2.30 116.67 126.19 3knm s ASP 44 Ca 0.13 0.29 -0.00 0.00 0.18 0.00 0.00 52.55 53.15 3knm s ASP 44 Cb -0.12 -1.97 0.08 0.00 1.07 0.00 0.00 42.92 41.98 3knm s ASP 44 CO 0.03 0.11 0.03 0.12 1.18 0.00 0.00 175.17 176.63 3knm s PHE 45 N -1.62 2.04 -0.47 4.23 5.36 -1.26 -4.85 117.98 121.43 3knm s PHE 45 Ca 0.36 -1.72 -0.20 0.00 -0.96 0.00 0.00 56.93 54.40 3knm s PHE 45 Cb -0.12 -1.68 0.04 0.00 -0.34 0.00 0.00 43.02 40.91 3knm s PHE 45 CO 0.28 -0.80 0.64 -2.00 -1.46 0.00 0.00 175.22 171.87 3knm s GLU 46 N 1.51 3.21 0.26 10.12 2.12 -1.26 -0.48 118.70 134.18 3knm s GLU 46 Ca 0.03 -0.57 -0.21 0.00 0.36 0.00 0.00 54.97 54.57 3knm s GLU 46 Cb -0.18 -4.01 0.03 0.00 0.26 0.00 0.00 34.13 30.23 3knm s GLU 46 CO -0.14 -1.09 0.74 0.20 -0.54 0.00 0.00 175.26 174.43 3knm s GLY 47 N 2.26 -0.13 -0.03 -1.50 0.00 -1.26 -4.60 107.32 102.06 3knm s GLY 47 Ca 0.20 -0.23 -0.30 0.00 0.00 0.00 0.00 44.72 44.39 3knm s GLY 47 CO 0.16 -0.07 1.28 -0.42 0.00 0.00 0.00 173.10 174.06 3knm s ILE 48 N -3.85 4.02 -0.77 0.90 1.09 -0.52 -2.77 121.20 119.29 3knm s ILE 48 Ca 0.11 1.37 -0.26 0.00 -1.10 0.00 0.00 60.65 60.77 3knm s ILE 48 Cb -0.05 -3.88 -0.00 0.00 -1.06 0.00 0.00 42.46 37.46 3knm s ILE 48 CO 0.06 0.00 1.67 0.54 -0.10 0.00 0.00 174.94 177.11 3knm s VAL 49 N 2.24 3.56 0.33 2.92 0.11 -1.26 -1.24 120.40 127.05 3knm s VAL 49 Ca 0.59 -0.02 0.11 0.00 -2.93 0.00 0.00 61.98 59.73 3knm s VAL 49 Cb -0.28 -4.38 0.04 0.00 -1.53 0.00 0.00 36.38 30.24 3knm s VAL 49 CO 0.24 -1.32 1.74 -0.29 -3.33 0.00 0.00 175.10 172.13 3knm h ILE 50 N 6.74 1.33 -1.85 7.04 6.09 -1.55 -3.35 117.51 131.96 3knm h ILE 50 Ca -0.11 -1.59 0.04 0.00 -1.37 0.00 0.00 64.86 61.83 3knm h ILE 50 Cb 1.07 1.84 -0.20 0.00 0.47 0.00 0.00 36.82 40.00 3knm h ILE 50 CO 1.27 0.46 0.42 -0.60 -3.07 0.00 0.00 178.15 176.62 3knm s ARG 51 N -4.00 0.79 -0.05 2.19 3.52 -1.16 -2.95 118.95 117.30 3knm s ARG 51 Ca -0.03 0.09 -0.02 0.00 -0.13 0.00 0.00 55.73 55.64 3knm s ARG 51 Cb 0.14 0.37 0.03 0.00 -1.56 0.00 0.00 34.95 33.93 3knm s ARG 51 CO 0.75 -0.27 0.06 0.42 -0.81 0.00 0.00 175.30 175.44 3knm s ILE 52 N -1.53 -0.07 -0.51 4.11 1.01 -1.26 -0.42 121.20 122.53 3knm s ILE 52 Ca -0.03 0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.91 3knm s ILE 52 Cb -0.00 -0.21 0.13 0.00 0.01 0.00 0.00 42.46 42.39 3knm s ILE 52 CO 0.02 0.16 0.37 0.00 0.00 0.00 0.00 174.94 175.48 3knm s ARG 53 N 2.15 2.49 0.41 2.79 1.70 0.20 -4.95 118.95 123.73 3knm s ARG 53 Ca 0.05 -1.94 -0.23 0.00 -0.47 0.00 0.00 55.73 53.13 3knm s ARG 53 Cb -0.12 -3.87 -0.09 0.00 -0.57 0.00 0.00 34.95 30.29 3knm s ARG 53 CO -0.04 -1.18 1.02 1.03 -1.08 0.00 0.00 175.30 175.05 3knm s ARG 54 N 1.02 4.17 -0.36 3.89 0.52 -1.26 -1.89 118.95 125.04 3knm s ARG 54 Ca 0.09 1.39 0.05 0.00 -0.52 0.00 0.00 55.73 56.74 3knm s ARG 54 Cb -0.24 -2.44 0.30 0.00 0.52 0.00 0.00 34.95 33.09 3knm s ARG 54 CO -0.02 -0.11 1.29 -1.71 0.02 0.00 0.00 175.30 174.76 3knm n ASN 55 N -0.23 -1.54 0.00 0.23 2.85 -1.26 -4.92 115.26 110.39 3knm n ASN 55 Ca 0.06 -2.34 0.00 0.00 -0.11 0.00 0.00 54.58 52.19 3knm n ASN 55 Cb 0.51 1.33 0.00 0.00 1.24 0.00 0.00 39.78 42.86 3knm n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3knm n GLY 56 N 0.26 3.44 1.21 8.20 0.00 -1.26 -4.03 105.19 113.02 3knm n GLY 56 Ca -0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 3knm n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3knm n PHE 57 N 14.00 -2.44 -0.97 1.61 -0.00 -1.26 -2.50 117.46 125.90 3knm n PHE 57 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 57.45 57.20 3knm n PHE 57 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 39.48 38.99 3knm n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3knm n ASN 58 N -3.50 -0.17 -4.74 -2.13 0.23 -1.26 -4.84 115.26 98.85 3knm n ASN 58 Ca 0.05 0.09 -0.41 0.00 -0.53 0.00 0.00 54.58 53.77 3knm n ASN 58 Cb 0.21 -0.42 -0.04 0.00 -2.08 0.00 0.00 39.78 37.45 3knm n ASN 58 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3knm s THR 59 N -0.83 3.65 0.19 5.53 -1.32 -1.04 -4.67 115.64 117.14 3knm s THR 59 Ca 0.00 1.44 0.09 0.00 -1.21 0.00 0.00 61.69 62.01 3knm s THR 59 Cb 0.00 -3.92 -0.04 0.00 -1.51 0.00 0.00 72.50 67.03 3knm s THR 59 CO 0.00 0.26 -0.18 0.42 -2.21 0.00 0.00 174.62 172.90 3knm s THR 60 N -0.32 1.98 0.07 5.08 -4.23 -0.79 -4.17 115.64 113.25 3knm s THR 60 Ca 0.50 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 3knm s THR 60 Cb -0.31 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 3knm s THR 60 CO 0.37 -0.36 -0.15 0.72 -0.54 0.00 0.00 174.62 174.66 3knm s PHE 61 N -2.26 1.27 -0.03 3.99 -0.12 -0.59 -0.63 117.98 119.60 3knm s PHE 61 Ca 0.20 -0.44 0.06 0.00 -0.05 0.00 0.00 56.93 56.70 3knm s PHE 61 Cb -0.05 -0.72 -0.01 0.00 -0.63 0.00 0.00 43.02 41.61 3knm s PHE 61 CO 0.08 0.07 -0.20 -0.08 -0.05 0.00 0.00 175.22 175.04 3knm s THR 62 N -1.19 1.64 0.08 -4.49 -1.32 0.44 -0.78 115.64 110.01 3knm s THR 62 Ca -0.01 -0.86 0.03 0.00 -1.21 0.00 0.00 61.69 59.65 3knm s THR 62 Cb -0.10 -1.38 -0.04 0.00 -1.51 0.00 0.00 72.50 69.47 3knm s THR 62 CO 0.02 0.46 0.07 -0.69 -2.21 0.00 0.00 174.62 172.28 3knm s VAL 63 N -0.24 4.47 -0.07 5.08 1.01 0.97 -1.35 120.40 130.28 3knm s VAL 63 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3knm s VAL 63 Cb -0.10 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.13 3knm s VAL 63 CO 0.01 0.12 -0.15 -0.60 0.00 0.00 0.00 175.10 174.48 3knm s ARG 64 N -2.39 1.95 0.22 2.72 3.52 -0.37 -0.21 118.95 124.39 3knm s ARG 64 Ca 0.29 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 55.40 3knm s ARG 64 Cb -0.12 -1.59 -0.02 0.00 -1.56 0.00 0.00 34.95 31.66 3knm s ARG 64 CO 0.22 0.10 0.18 0.36 -0.81 0.00 0.00 175.30 175.34 3knm n LYS 65 N 3.62 0.30 -3.65 5.12 2.85 0.15 -1.44 118.16 125.11 3knm n LYS 65 Ca -0.21 -2.20 -0.29 0.00 -1.05 0.00 0.00 58.31 54.55 3knm n LYS 65 Cb 0.52 1.76 -0.14 0.00 -0.65 0.00 0.00 35.03 36.52 3knm n LYS 65 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3knm s VAL 66 N -2.87 0.65 -0.55 0.58 1.01 -1.26 0.15 120.40 118.11 3knm s VAL 66 Ca 0.25 -1.51 -0.23 0.00 0.00 0.00 0.00 61.98 60.50 3knm s VAL 66 Cb 0.01 -1.49 0.05 0.00 0.00 0.00 0.00 36.38 34.95 3knm s VAL 66 CO 0.18 -0.77 0.87 -0.55 0.00 0.00 0.00 175.10 174.83 3knm s SER 67 N 1.42 6.29 0.87 3.32 0.15 -0.40 -4.89 113.70 120.47 3knm s SER 67 Ca 0.12 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.22 3knm s SER 67 Cb -0.19 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3knm s SER 67 CO -0.19 -1.18 0.00 -1.22 1.20 0.00 0.00 173.24 171.85 3knm n TYR 68 N 7.20 0.00 -0.15 3.44 4.01 -1.26 -3.06 117.16 127.34 3knm n TYR 68 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.70 3knm n TYR 68 Cb 0.47 0.07 0.06 0.00 -0.31 0.00 0.00 39.34 39.62 3knm n TYR 68 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3knm h GLY 69 N 0.00 0.61 -2.05 2.72 0.00 -2.04 -3.43 103.07 98.87 3knm h GLY 69 Ca 0.00 -0.06 -0.50 0.00 0.00 0.00 0.00 47.33 46.77 3knm h GLY 69 CO 0.00 -0.02 0.43 0.14 0.00 0.00 0.00 176.54 177.08 3knm s VAL 70 N -6.14 3.16 -0.09 4.60 1.01 -1.17 -5.04 120.40 116.73 3knm s VAL 70 Ca -0.13 0.71 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 3knm s VAL 70 Cb 0.15 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3knm s VAL 70 CO 0.73 -0.17 0.07 -0.83 0.00 0.00 0.00 175.10 174.90 3knm s GLY 71 N -1.83 2.01 0.05 4.51 0.00 -1.26 -1.27 107.32 109.53 3knm s GLY 71 Ca 0.72 -0.73 0.07 0.00 0.00 0.00 0.00 44.72 44.78 3knm s GLY 71 CO 0.28 -0.50 -0.18 0.14 0.00 0.00 0.00 173.10 172.84 3knm s VAL 72 N -0.98 1.49 -0.07 1.40 1.01 0.12 -4.87 120.40 118.49 3knm s VAL 72 Ca 0.15 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 60.97 3knm s VAL 72 Cb -0.12 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 3knm s VAL 72 CO 0.04 0.08 -0.21 -0.70 0.00 0.00 0.00 175.10 174.32 3knm s GLU 73 N -1.31 2.41 -0.03 2.72 2.12 -1.26 0.29 118.70 123.64 3knm s GLU 73 Ca 0.05 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.69 3knm s GLU 73 Cb -0.09 -1.94 -0.01 0.00 0.26 0.00 0.00 34.13 32.35 3knm s GLU 73 CO 0.02 0.22 -0.19 1.03 -0.54 0.00 0.00 175.26 175.80 3knm s ARG 74 N 0.20 1.70 -0.17 4.30 1.81 0.71 -4.98 118.95 122.53 3knm s ARG 74 Ca -0.11 -0.66 -0.01 0.00 -1.72 0.00 0.00 55.73 53.23 3knm s ARG 74 Cb -0.15 -1.56 -0.00 0.00 -0.45 0.00 0.00 34.95 32.79 3knm s ARG 74 CO 0.05 0.34 -0.12 0.42 -0.68 0.00 0.00 175.30 175.31 3knm s ILE 75 N -0.22 2.91 -0.11 1.52 1.01 -1.26 -0.02 121.20 125.02 3knm s ILE 75 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3knm s ILE 75 Cb -0.09 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 3knm s ILE 75 CO 0.01 0.49 -0.16 -0.36 0.00 0.00 0.00 174.94 174.92 3knm s PHE 76 N 0.93 2.73 -0.56 3.97 2.99 0.04 -5.00 117.98 123.09 3knm s PHE 76 Ca -0.02 -0.65 0.11 0.00 0.00 0.00 0.00 56.93 56.36 3knm s PHE 76 Cb -0.15 -1.78 0.57 0.00 0.00 0.00 0.00 43.02 41.67 3knm s PHE 76 CO -0.01 -0.19 1.31 -2.30 -0.00 0.00 0.00 175.22 174.03 3knm n PRO 77 N 3.33 0.07 -1.08 0.24 -0.02 -1.26 -1.55 135.00 134.73 3knm n PRO 77 Ca -0.18 0.56 -0.03 0.00 -2.02 0.00 0.00 63.50 61.83 3knm n PRO 77 Cb 0.53 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.24 3knm n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3knm n LEU 78 N -1.86 0.22 -3.65 2.45 7.94 -1.26 -4.25 117.00 116.59 3knm n LEU 78 Ca -0.01 0.07 -0.14 0.00 -1.11 0.00 0.00 56.01 54.82 3knm n LEU 78 Cb 0.04 -1.66 -0.07 0.00 0.53 0.00 0.00 43.42 42.26 3knm n LEU 78 CO 0.05 -0.57 0.19 -1.00 -1.11 0.00 0.00 177.39 174.95 3knm s HIS 79 N -1.68 -0.34 0.00 1.96 3.76 -1.26 -4.81 115.29 112.92 3knm s HIS 79 Ca 0.00 0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.35 3knm s HIS 79 Cb 0.00 0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.93 3knm s HIS 79 CO 0.00 -0.54 0.00 0.45 -0.85 0.00 0.00 174.74 173.80 3knm n SER 80 N 0.76 0.00 -2.70 1.40 2.88 -1.26 -4.78 113.62 109.92 3knm n SER 80 Ca -0.19 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 56.99 3knm n SER 80 Cb 0.58 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.08 3knm n SER 80 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3knm n PRO 81 N 0.00 2.96 -3.91 -1.46 -0.04 -1.26 -4.92 135.00 126.37 3knm n PRO 81 Ca 0.00 -3.78 -0.29 0.00 -0.04 0.00 0.00 63.50 59.39 3knm n PRO 81 Cb 0.00 -2.27 -0.16 0.00 -0.04 0.00 0.00 33.50 31.03 3knm n PRO 81 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3knm s LEU 82 N -3.89 1.95 0.00 1.53 1.02 -1.26 -2.48 118.68 115.55 3knm s LEU 82 Ca 0.52 -0.86 0.00 0.00 0.02 0.00 0.00 54.13 53.81 3knm s LEU 82 Cb 0.44 -1.01 0.00 0.00 0.02 0.00 0.00 46.19 45.63 3knm s LEU 82 CO -0.30 -0.20 0.79 2.30 0.02 0.00 0.00 176.35 178.96 3knm n ILE 83 N 4.80 0.00 -4.31 -0.59 -5.35 -1.26 -4.84 119.36 107.82 3knm n ILE 83 Ca -0.12 1.29 -0.23 0.00 -0.27 0.00 0.00 62.75 63.42 3knm n ILE 83 Cb 0.46 -2.28 -0.08 0.00 -1.74 0.00 0.00 39.64 36.01 3knm n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3knm s GLN 84 N -2.16 2.22 -0.00 6.28 1.03 -1.26 -4.99 119.66 120.77 3knm s GLN 84 Ca 0.00 -1.48 0.00 0.00 0.04 0.00 0.00 55.36 53.92 3knm s GLN 84 Cb 0.00 -2.10 0.00 0.00 0.03 0.00 0.00 33.01 30.94 3knm s GLN 84 CO 0.00 0.33 0.98 1.63 -2.54 0.00 0.00 175.29 175.69 3knm n LYS 85 N -0.89 2.85 0.00 9.60 5.02 -1.26 -4.01 118.16 129.48 3knm n LYS 85 Ca -0.06 -1.47 0.00 0.00 -2.02 0.00 0.00 58.31 54.76 3knm n LYS 85 Cb 0.59 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 3knm n LYS 85 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3knm n ILE 86 N -0.49 0.00 -3.29 -0.18 5.41 -1.26 -4.59 119.36 114.96 3knm n ILE 86 Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.42 3knm n ILE 86 Cb 0.27 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.14 3knm n ILE 86 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 3knm s ASP 87 N 0.00 6.75 0.00 4.38 1.47 -1.26 -4.48 116.67 123.53 3knm s ASP 87 Ca 0.00 1.11 0.00 0.00 1.18 0.00 0.00 52.55 54.84 3knm s ASP 87 Cb 0.00 -2.30 0.00 0.00 -0.34 0.00 0.00 42.92 40.28 3knm s ASP 87 CO 0.00 -0.07 0.00 -0.38 0.68 0.00 0.00 175.17 175.40 3knm n ILE 88 N 0.05 0.00 -1.79 2.11 5.41 0.13 -4.89 119.36 120.39 3knm n ILE 88 Ca 0.00 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.35 3knm n ILE 88 Cb 0.52 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.42 3knm n ILE 88 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3knm s VAL 89 N 2.04 3.21 -0.17 1.39 1.01 -1.22 -4.78 120.40 121.89 3knm s VAL 89 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3knm s VAL 89 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3knm s VAL 89 CO 0.00 -0.31 1.52 -1.10 0.00 0.00 0.00 175.10 175.21 3knm s GLN 90 N 6.83 4.02 0.00 2.72 -0.21 -1.26 -3.66 119.66 128.09 3knm s GLN 90 Ca 0.87 1.77 0.00 0.00 0.02 0.00 0.00 55.36 58.02 3knm s GLN 90 Cb -0.21 -3.94 0.00 0.00 1.00 0.00 0.00 33.01 29.85 3knm s GLN 90 CO 0.29 -1.02 0.00 0.54 -2.12 0.00 0.00 175.29 172.99 3knm n ARG 91 N 7.24 0.00 0.00 2.91 1.74 -1.26 -4.23 116.66 123.05 3knm n ARG 91 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3knm n ARG 91 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 3knm n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knm n GLY 92 N 0.00 0.03 4.19 -0.13 0.00 -1.15 -4.22 105.19 103.91 3knm n GLY 92 Ca 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3knm n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3knm n ARG 93 N 0.00 -2.66 -1.88 1.61 0.00 -1.25 -3.55 116.66 108.93 3knm n ARG 93 Ca 0.00 0.32 -0.42 0.00 -0.00 0.00 0.00 57.85 57.75 3knm n ARG 93 Cb 0.00 -4.69 -0.03 0.00 0.00 0.00 0.00 32.46 27.74 3knm n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knm s ALA 94 N -3.63 3.75 -2.07 5.13 0.00 -1.26 -4.77 121.76 118.91 3knm s ALA 94 Ca 0.44 1.33 0.18 0.00 0.00 0.00 0.00 51.96 53.91 3knm s ALA 94 Cb -0.24 -3.68 0.92 0.00 0.00 0.00 0.00 23.12 20.12 3knm s ALA 94 CO 0.94 -1.00 1.61 0.54 0.00 0.00 0.00 175.76 177.84 3knm n ARG 95 N 4.95 1.21 -3.94 0.00 5.12 -1.26 -4.87 116.66 117.87 3knm n ARG 95 Ca 0.15 -0.32 -0.12 0.00 -1.93 0.00 0.00 57.85 55.64 3knm n ARG 95 Cb 0.39 -1.30 -0.01 0.00 -1.16 0.00 0.00 32.46 30.39 3knm n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3knm s ARG 96 N -1.93 2.09 0.00 5.56 1.70 -1.26 -5.14 118.95 119.97 3knm s ARG 96 Ca 0.27 -1.59 0.00 0.00 -0.47 0.00 0.00 55.73 53.94 3knm s ARG 96 Cb 0.13 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 35.05 3knm s ARG 96 CO 0.21 -0.93 0.00 0.00 -1.08 0.00 0.00 175.30 173.50 3knm n ALA 97 N -0.55 0.00 -1.84 7.88 0.00 -1.26 -4.81 120.51 119.93 3knm n ALA 97 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 3knm n ALA 97 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3knm n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3knm s LYS 98 N 0.16 3.86 -0.55 0.00 3.01 -1.26 -4.83 119.74 120.13 3knm s LYS 98 Ca 0.00 2.17 0.06 0.00 -1.01 0.00 0.00 55.97 57.20 3knm s LYS 98 Cb 0.00 -4.14 0.31 0.00 -1.01 0.00 0.00 37.83 32.99 3knm s LYS 98 CO 0.00 -1.24 0.83 1.47 0.51 0.00 0.00 175.35 176.91 3knm n LEU 99 N 8.50 3.44 0.18 3.17 -0.00 -1.15 -4.80 117.00 126.34 3knm n LEU 99 Ca 0.21 -5.44 0.03 0.00 -0.00 0.00 0.00 56.01 50.80 3knm n LEU 99 Cb 0.43 -0.32 0.35 0.00 -0.00 0.00 0.00 43.42 43.88 3knm n LEU 99 CO 0.66 2.24 0.70 1.88 -0.00 0.00 0.00 177.39 182.86 3knm h TYR 100 N 3.42 0.00 -1.25 1.47 -1.99 -1.91 -3.21 116.97 113.51 3knm h TYR 100 Ca 0.14 0.00 0.36 0.00 2.00 0.00 0.00 58.73 61.24 3knm h TYR 100 Cb 0.64 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.32 3knm h TYR 100 CO 0.71 0.39 0.98 1.97 -0.00 0.00 0.00 178.16 182.21 3knm n PHE 101 N -3.98 0.00 0.06 4.88 -1.74 -1.26 -0.26 117.46 115.16 3knm n PHE 101 Ca -0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.79 3knm n PHE 101 Cb 0.43 -0.31 0.04 0.00 1.52 0.00 0.00 39.48 41.16 3knm n PHE 101 CO 0.00 0.00 0.00 -0.84 -0.56 0.00 0.00 176.76 175.36 3knm h ILE 102 N 0.00 1.39 -0.98 1.97 3.07 -1.88 -3.17 117.51 117.91 3knm h ILE 102 Ca 0.60 -2.16 0.32 0.00 1.55 0.00 0.00 64.86 65.17 3knm h ILE 102 Cb 2.54 2.13 -0.16 0.00 -0.27 0.00 0.00 36.82 41.06 3knm h ILE 102 CO -0.01 0.65 0.47 0.03 -1.05 0.00 0.00 178.15 178.24 3knm h ARG 103 N 0.24 0.21 0.00 0.16 3.08 -0.91 0.21 114.38 117.38 3knm h ARG 103 Ca -0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3knm h ARG 103 Cb 1.29 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3knm h ARG 103 CO 0.12 0.14 -0.04 -0.91 -1.07 0.00 0.00 179.97 178.22 3knm h ASN 104 N 0.22 0.00 -1.74 7.04 2.35 -1.72 -3.39 115.58 118.34 3knm h ASN 104 Ca 0.72 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 56.07 3knm h ASN 104 Cb 1.66 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 39.74 3knm h ASN 104 CO -0.67 0.04 -0.76 0.18 -1.65 0.00 0.00 177.43 174.56 3knm n LEU 105 N -3.12 -1.80 -4.97 1.61 4.77 0.73 -5.12 117.00 109.09 3knm n LEU 105 Ca 0.02 -3.74 -0.21 0.00 -0.03 0.00 0.00 56.01 52.06 3knm n LEU 105 Cb 0.43 0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 42.15 3knm n LEU 105 CO 0.31 1.90 -0.02 -0.94 -1.33 0.00 0.00 177.39 177.31 3knm s SER 106 N 0.38 6.24 0.00 -1.43 1.04 -1.17 -4.08 113.70 114.67 3knm s SER 106 Ca 0.32 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.76 3knm s SER 106 Cb 0.03 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.43 3knm s SER 106 CO -0.13 -0.15 0.00 -0.90 0.98 0.00 0.00 173.24 173.03 3knm n ASP 107 N -1.46 0.00 0.00 7.02 5.75 -1.26 -4.60 116.55 122.00 3knm n ASP 107 Ca -0.07 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.85 3knm n ASP 107 Cb 0.57 0.00 0.65 0.00 -1.03 0.00 0.00 41.12 41.31 3knm n ASP 107 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3knm n ARG 108 N 0.00 0.11 0.13 0.11 0.63 -1.26 -3.37 116.66 113.02 3knm n ARG 108 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.69 3knm n ARG 108 Cb 0.00 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.25 3knm n ARG 108 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3knm h GLU 109 N 0.00 0.52 -0.29 -0.14 5.08 -1.84 -3.29 114.58 114.63 3knm h GLU 109 Ca 0.00 -0.88 -0.09 0.00 -1.00 0.00 0.00 59.36 57.39 3knm h GLU 109 Cb 0.44 0.33 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3knm h GLU 109 CO 0.00 1.42 -0.19 0.82 -1.00 0.00 0.00 179.01 180.06 3knm h ILE 110 N 0.14 1.25 0.00 3.13 2.04 -1.70 -2.47 117.51 119.90 3knm h ILE 110 Ca -0.28 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 3knm h ILE 110 Cb 2.16 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.48 3knm h ILE 110 CO 0.26 0.38 -0.07 0.03 0.00 0.00 0.00 178.15 178.74 3knm h ARG 111 N 0.47 0.00 0.05 2.37 3.08 -1.65 0.15 114.38 118.85 3knm h ARG 111 Ca 0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3knm h ARG 111 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3knm h ARG 111 CO 0.04 0.07 -0.03 0.00 -1.07 0.00 0.00 179.97 178.99 3knm h ARG 112 N 0.00 -0.07 -0.63 0.04 3.08 -1.52 -3.37 114.38 111.91 3knm h ARG 112 Ca -0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3knm h ARG 112 Cb 0.14 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.12 3knm h ARG 112 CO 0.01 -0.05 -0.43 0.87 -1.07 0.00 0.00 179.97 179.30 3knm h LYS 113 N -0.29 -0.07 -5.22 0.04 6.56 -1.41 -3.12 116.57 113.06 3knm h LYS 113 Ca -0.01 0.00 -0.69 0.00 -1.06 0.00 0.00 60.65 58.90 3knm h LYS 113 Cb 0.06 0.02 -0.15 0.00 -0.57 0.00 0.00 32.23 31.58 3knm h LYS 113 CO 0.01 -0.05 1.24 -0.51 -2.06 0.00 0.00 179.45 178.08 3knm s LEU 114 N -9.28 4.66 0.67 2.94 1.43 0.51 -4.91 118.68 114.71 3knm s LEU 114 Ca -0.09 -2.25 -0.09 0.00 -1.03 0.00 0.00 54.13 50.67 3knm s LEU 114 Cb 0.08 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.88 3knm s LEU 114 CO 0.46 -1.06 1.02 -0.13 0.23 0.00 0.00 176.35 176.86 3knm s ARG 115 N 2.93 2.68 0.03 1.70 1.81 -1.18 -4.63 118.95 122.28 3knm s ARG 115 Ca 0.40 0.12 -0.30 0.00 -1.72 0.00 0.00 55.73 54.23 3knm s ARG 115 Cb -0.02 -2.14 -0.07 0.00 -0.45 0.00 0.00 34.95 32.27 3knm s ARG 115 CO -0.05 -1.00 1.54 0.00 -0.68 0.00 0.00 175.30 175.11 3knm s ALA 116 N -3.22 3.64 -0.80 2.13 0.00 -1.26 -2.92 121.76 119.33 3knm s ALA 116 Ca 0.57 1.05 -0.21 0.00 0.00 0.00 0.00 51.96 53.37 3knm s ALA 116 Cb -0.11 -3.65 0.09 0.00 0.00 0.00 0.00 23.12 19.45 3knm s ALA 116 CO 0.48 -1.04 1.07 0.34 0.00 0.00 0.00 175.76 176.61 3knm s ASP 117 N 2.22 6.38 0.00 0.00 -1.08 -1.26 -4.90 116.67 118.04 3knm s ASP 117 Ca 0.69 -1.45 -0.01 0.00 -0.52 0.00 0.00 52.55 51.26 3knm s ASP 117 Cb -0.36 -2.42 -0.00 0.00 -1.46 0.00 0.00 42.92 38.68 3knm s ASP 117 CO 0.30 -1.30 0.90 0.03 0.52 0.00 0.00 175.17 175.62 3knm h ARG 118 N 9.29 -0.02 -0.20 4.34 2.47 -1.92 0.16 114.38 128.50 3knm h ARG 118 Ca -0.07 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.70 3knm h ARG 118 Cb 1.05 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.33 3knm h ARG 118 CO 1.17 -0.02 -0.01 1.17 0.56 0.00 0.00 179.97 182.85 3knm n LYS 119 N -2.07 -0.02 -0.07 0.04 4.81 -1.26 0.25 118.16 119.84 3knm n LYS 119 Ca -0.00 0.30 -0.12 0.00 -0.87 0.00 0.00 58.31 57.62 3knm n LYS 119 Cb 0.01 -0.47 -0.09 0.00 0.02 0.00 0.00 35.03 34.49 3knm n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3knm h ARG 120 N 0.00 0.00 -1.69 1.64 3.08 -1.94 -3.28 114.38 112.20 3knm h ARG 120 Ca 0.12 0.00 0.50 0.00 0.07 0.00 0.00 59.98 60.67 3knm h ARG 120 Cb 0.23 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 3knm h ARG 120 CO -0.19 0.71 1.19 0.82 -1.07 0.00 0.00 179.97 181.43 3knm h ILE 121 N -1.00 0.10 0.00 2.04 1.08 0.63 -1.54 117.51 118.82 3knm h ILE 121 Ca -0.08 -0.01 -0.04 0.00 -0.39 0.00 0.00 64.86 64.34 3knm h ILE 121 Cb 0.83 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 3knm h ILE 121 CO -0.05 0.00 -0.36 0.44 -0.69 0.00 0.00 178.15 177.49 3knm h ASP 122 N 0.02 0.00 0.00 1.72 3.32 -0.85 -3.00 116.42 117.62 3knm h ASP 122 Ca 0.85 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.56 3knm h ASP 122 Cb 3.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.78 3knm h ASP 122 CO -0.11 0.87 0.00 0.00 -1.72 0.00 0.00 179.24 178.28 3knm n GLN 123 N -4.63 0.00 -0.08 3.56 10.64 -0.63 0.16 117.38 126.40 3knm n GLN 123 Ca -0.10 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.00 3knm n GLN 123 Cb 0.31 -1.46 -0.03 0.00 -0.86 0.00 0.00 30.24 28.20 3knm n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3knm n ASP 124 N -0.88 1.85 0.32 2.61 8.00 -0.91 -2.66 116.55 124.88 3knm n ASP 124 Ca 0.00 0.54 -0.13 0.00 0.71 0.00 0.00 54.79 55.91 3knm n ASP 124 Cb 0.00 -0.84 -0.06 0.00 -0.02 0.00 0.00 41.12 40.20 3knm n ASP 124 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3knm h ARG 125 N -1.00 -0.79 -0.81 -1.24 2.47 -0.55 -2.81 114.38 109.65 3knm h ARG 125 Ca -0.04 0.05 0.10 0.00 -1.26 0.00 0.00 59.98 58.84 3knm h ARG 125 Cb 0.71 0.18 -0.11 0.00 -1.65 0.00 0.00 29.97 29.09 3knm h ARG 125 CO -0.02 -0.53 -0.39 0.00 0.56 0.00 0.00 179.97 179.59 3knm n ALA 126 N -2.41 -0.29 -2.01 0.04 0.00 0.43 -3.82 120.51 112.45 3knm n ALA 126 Ca -0.10 0.75 -0.42 0.00 0.00 0.00 0.00 53.44 53.66 3knm n ALA 126 Cb 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 3knm n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knm s ALA 127 N -5.59 3.65 0.00 0.00 0.00 -1.06 -4.68 121.76 114.08 3knm s ALA 127 Ca -0.10 1.10 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3knm s ALA 127 Cb 0.13 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3knm s ALA 127 CO 0.54 -1.07 0.00 -0.85 0.00 0.00 0.00 175.76 174.38 3knm n GLU 128 N 5.64 0.00 -1.53 0.00 -0.00 -1.25 -4.72 120.64 118.78 3knm n GLU 128 Ca 0.15 0.00 -0.28 0.00 -0.00 0.00 0.00 57.16 57.03 3knm n GLU 128 Cb 0.41 0.00 -0.10 0.00 -0.00 0.00 0.00 31.44 31.75 3knm n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3knm n ARG 129 N 0.00 0.49 -0.13 3.44 3.00 -1.26 -4.39 116.66 117.81 3knm n ARG 129 Ca 0.00 -0.25 0.05 0.00 -0.00 0.00 0.00 57.85 57.65 3knm n ARG 129 Cb 0.00 -2.66 0.12 0.00 0.00 0.00 0.00 32.46 29.92 3knm n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knm n ALA 130 N 13.69 2.21 -1.79 5.13 0.00 -1.26 -4.93 120.51 133.56 3knm n ALA 130 Ca 0.52 -1.03 -0.26 0.00 0.00 0.00 0.00 53.44 52.66 3knm n ALA 130 Cb 0.33 -0.37 -0.05 0.00 0.00 0.00 0.00 19.45 19.36 3knm n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knm s ALA 131 N -0.97 1.41 -0.37 0.00 0.00 -1.26 -4.88 121.76 115.69 3knm s ALA 131 Ca 0.19 -0.82 -0.40 0.00 0.00 0.00 0.00 51.96 50.93 3knm s ALA 131 Cb 0.10 -4.48 -0.16 0.00 0.00 0.00 0.00 23.12 18.59 3knm s ALA 131 CO 0.14 -4.97 1.94 1.63 0.00 0.00 0.00 175.76 174.50 3knm n LYS 132 N 8.93 0.78 -2.50 0.00 5.02 -1.26 -4.88 118.16 124.25 3knm n LYS 132 Ca 0.38 0.26 -0.35 0.00 -2.02 0.00 0.00 58.31 56.58 3knm n LYS 132 Cb 0.48 -2.02 0.01 0.00 -0.02 0.00 0.00 35.03 33.48 3knm n LYS 132 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3knm n GLU 133 N 6.48 3.87 -3.93 1.97 4.07 -1.26 -4.98 120.64 126.86 3knm n GLU 133 Ca 0.37 -4.39 -0.09 0.00 -0.06 0.00 0.00 57.16 52.99 3knm n GLU 133 Cb 0.10 -2.32 -0.08 0.00 -0.06 0.00 0.00 31.44 29.07 3knm n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3knm s GLU 134 N -3.92 0.72 -0.26 5.31 2.56 -1.26 -4.84 118.70 117.01 3knm s GLU 134 Ca 0.46 -0.96 -0.02 0.00 0.00 0.00 0.00 54.97 54.46 3knm s GLU 134 Cb 0.31 0.28 0.01 0.00 2.00 0.00 0.00 34.13 36.74 3knm s GLU 134 CO -0.22 -0.19 0.04 0.00 -0.56 0.00 0.00 175.26 174.33 3knm n ALA 135 N 0.22 -0.99 0.00 6.30 0.00 -1.26 -4.39 120.51 120.39 3knm n ALA 135 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3knm n ALA 135 Cb 0.61 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.28 3knm n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3knm n GLN 136 N -2.65 0.00 -3.80 0.00 -0.06 -1.26 -5.03 117.38 104.59 3knm n GLN 136 Ca -0.01 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.65 3knm n GLN 136 Cb 0.51 -0.17 -0.11 0.00 -4.06 0.00 0.00 30.24 26.41 3knm n GLN 136 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3knm s LYS 137 N -1.25 2.39 0.00 3.69 -0.14 -1.26 -5.21 119.74 117.95 3knm s LYS 137 Ca 0.00 -2.61 0.00 0.00 -1.36 0.00 0.00 55.97 52.00 3knm s LYS 137 Cb 0.00 -3.59 0.00 0.00 -1.68 0.00 0.00 37.83 32.56 3knm s LYS 137 CO 0.00 -1.16 0.00 0.00 -0.76 0.00 0.00 175.35 173.43