#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh n LEU 2 N 0.00 -6.12 -0.79 3.17 -0.00 -1.26 -4.91 117.00 107.10 3knh n LEU 2 Ca 0.00 3.25 0.12 0.00 -0.00 0.00 0.00 56.01 59.38 3knh n LEU 2 Cb 0.00 -3.19 0.28 0.00 -0.00 0.00 0.00 43.42 40.52 3knh n LEU 2 CO 0.00 -0.86 0.73 0.35 -0.00 0.00 0.00 177.39 177.61 3knh n THR 3 N 0.86 0.10 -3.15 1.96 -2.24 -1.26 -4.88 114.28 105.66 3knh n THR 3 Ca 0.00 -0.44 0.05 0.00 -2.27 0.00 0.00 64.05 61.40 3knh n THR 3 Cb 0.00 0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 69.19 3knh n THR 3 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3knh s ASP 4 N -1.88 -0.35 0.06 3.42 -1.08 -1.26 -4.96 116.67 110.62 3knh s ASP 4 Ca 0.33 0.23 -0.24 0.00 -0.52 0.00 0.00 52.55 52.35 3knh s ASP 4 Cb 0.20 1.30 -0.12 0.00 -1.46 0.00 0.00 42.92 42.84 3knh s ASP 4 CO 0.31 -0.07 1.38 -0.65 0.52 0.00 0.00 175.17 176.66 3knh h PRO 5 N 7.97 -0.67 0.00 4.34 0.11 -1.98 -3.16 132.00 138.61 3knh h PRO 5 Ca -0.13 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3knh h PRO 5 Cb 1.17 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3knh h PRO 5 CO -0.13 -0.45 0.00 -0.89 -0.21 0.00 0.00 178.00 176.32 3knh n ILE 6 N -4.48 0.00 -0.37 4.15 -0.00 -1.26 -0.41 119.36 116.99 3knh n ILE 6 Ca -0.08 0.63 0.03 0.00 -0.00 0.00 0.00 62.75 63.32 3knh n ILE 6 Cb 0.32 -0.91 0.09 0.00 -0.00 0.00 0.00 39.64 39.14 3knh n ILE 6 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3knh n ALA 7 N -1.20 0.07 -0.11 -1.39 0.00 -1.25 -0.68 120.51 115.95 3knh n ALA 7 Ca 0.00 1.05 -0.10 0.00 0.00 0.00 0.00 53.44 54.39 3knh n ALA 7 Cb 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 3knh n ALA 7 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3knh h ASP 8 N 0.00 -1.35 -0.57 0.00 3.58 -0.69 0.28 116.42 117.67 3knh h ASP 8 Ca 0.42 0.18 0.11 0.00 0.42 0.00 0.00 57.03 58.15 3knh h ASP 8 Cb 0.67 0.55 -0.11 0.00 1.72 0.00 0.00 39.33 42.16 3knh h ASP 8 CO -1.01 -0.28 -0.28 -0.03 -2.88 0.00 0.00 179.24 174.76 3knh h MET 9 N -0.27 -0.12 -0.99 0.28 4.05 0.05 1.20 114.93 119.13 3knh h MET 9 Ca 0.05 0.01 0.15 0.00 -0.28 0.00 0.00 59.70 59.64 3knh h MET 9 Cb 0.42 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 31.16 3knh h MET 9 CO -0.44 -0.08 0.62 -0.07 0.23 0.00 0.00 176.91 177.17 3knh h LEU 10 N -0.13 0.81 -0.33 3.39 3.38 -0.13 0.69 115.31 123.00 3knh h LEU 10 Ca 0.25 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.15 3knh h LEU 10 Cb 0.53 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3knh h LEU 10 CO -0.65 0.37 -0.63 0.74 0.09 0.00 0.00 178.44 178.37 3knh h THR 11 N 0.84 1.19 0.35 0.22 2.02 0.32 -2.10 112.91 115.75 3knh h THR 11 Ca 0.52 -2.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.30 3knh h THR 11 Cb 0.71 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 3knh h THR 11 CO -0.30 0.62 -0.17 -0.09 0.37 0.00 0.00 175.52 175.95 3knh h ARG 12 N 0.00 -0.46 -0.90 6.66 2.43 0.62 -0.67 114.38 122.08 3knh h ARG 12 Ca -0.01 0.03 0.24 0.00 -0.81 0.00 0.00 59.98 59.43 3knh h ARG 12 Cb 1.34 0.10 -0.16 0.00 -0.42 0.00 0.00 29.97 30.84 3knh h ARG 12 CO 0.08 -0.31 0.10 0.82 -1.51 0.00 0.00 179.97 179.16 3knh h ILE 13 N -0.76 0.20 0.00 1.20 2.04 0.02 -0.07 117.51 120.12 3knh h ILE 13 Ca -0.05 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3knh h ILE 13 Cb 0.36 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3knh h ILE 13 CO 0.08 0.02 0.00 -1.14 0.00 0.00 0.00 178.15 177.11 3knh n ARG 14 N -5.36 0.00 0.00 2.37 0.63 -0.79 -2.64 116.66 110.86 3knh n ARG 14 Ca 0.21 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 3knh n ARG 14 Cb 0.68 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 32.30 3knh n ARG 14 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3knh n ASN 15 N -1.50 0.00 0.03 6.15 3.02 -0.26 0.18 115.26 122.87 3knh n ASN 15 Ca 0.00 0.12 0.08 0.00 -0.03 0.00 0.00 54.58 54.74 3knh n ASN 15 Cb 0.00 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 38.95 3knh n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3knh n ALA 16 N -1.00 2.46 -0.10 5.41 0.00 -0.07 -4.40 120.51 122.80 3knh n ALA 16 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 53.44 52.84 3knh n ALA 16 Cb 0.06 -0.85 -0.15 0.00 0.00 0.00 0.00 19.45 18.51 3knh n ALA 16 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3knh n THR 17 N -2.54 1.35 0.80 0.00 -2.24 0.13 -1.11 114.28 110.67 3knh n THR 17 Ca -0.06 -0.82 0.01 0.00 -2.27 0.00 0.00 64.05 60.91 3knh n THR 17 Cb 0.66 -0.51 0.06 0.00 -2.10 0.00 0.00 70.33 68.44 3knh n THR 17 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3knh n ARG 18 N -2.75 0.40 0.00 -0.78 3.00 -0.98 0.22 116.66 115.77 3knh n ARG 18 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.52 3knh n ARG 18 Cb 1.13 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 32.51 3knh n ARG 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3knh n VAL 19 N -0.58 0.00 -2.86 1.55 0.24 -1.26 -5.07 118.33 110.35 3knh n VAL 19 Ca 0.02 -0.08 -0.01 0.00 -2.04 0.00 0.00 64.34 62.22 3knh n VAL 19 Cb 0.01 1.68 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 3knh n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3knh n TYR 20 N -0.03 -2.96 -5.23 6.34 4.01 0.58 -5.00 117.16 114.88 3knh n TYR 20 Ca 0.00 1.31 -0.32 0.00 -0.16 0.00 0.00 57.90 58.73 3knh n TYR 20 Cb 0.17 -3.23 -0.17 0.00 -0.31 0.00 0.00 39.34 35.81 3knh n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3knh s LYS 21 N -1.51 2.75 0.13 -0.72 2.20 -0.26 -4.96 119.74 117.37 3knh s LYS 21 Ca 0.01 -0.88 -0.09 0.00 -0.36 0.00 0.00 55.97 54.65 3knh s LYS 21 Cb -0.00 -2.20 0.15 0.00 -1.51 0.00 0.00 37.83 34.27 3knh s LYS 21 CO 0.59 0.28 0.86 -1.91 -0.36 0.00 0.00 175.35 174.81 3knh n GLU 22 N 3.23 -0.12 -3.76 4.03 4.07 -1.26 -4.63 120.64 122.21 3knh n GLU 22 Ca -0.18 0.85 -0.02 0.00 -0.06 0.00 0.00 57.16 57.75 3knh n GLU 22 Cb 0.52 -1.27 -0.01 0.00 -0.06 0.00 0.00 31.44 30.63 3knh n GLU 22 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3knh s SER 23 N -5.19 -0.12 -0.13 4.31 1.04 -1.26 -2.72 113.70 109.63 3knh s SER 23 Ca -0.08 -0.40 -0.14 0.00 0.48 0.00 0.00 55.95 55.81 3knh s SER 23 Cb 0.12 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.70 3knh s SER 23 CO 0.40 -0.79 0.39 -0.89 0.98 0.00 0.00 173.24 173.33 3knh s THR 24 N -2.90 0.01 0.47 2.02 2.01 -1.04 -4.94 115.64 111.26 3knh s THR 24 Ca 0.15 -0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.16 3knh s THR 24 Cb -0.00 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.96 3knh s THR 24 CO 0.02 -0.03 0.64 1.51 -0.69 0.00 0.00 174.62 176.06 3knh s ASP 25 N -0.02 5.49 -0.01 3.53 1.47 -1.25 0.09 116.67 125.97 3knh s ASP 25 Ca -0.02 -0.49 -0.28 0.00 1.18 0.00 0.00 52.55 52.94 3knh s ASP 25 Cb -0.03 -0.45 0.08 0.00 -0.34 0.00 0.00 42.92 42.18 3knh s ASP 25 CO 0.01 -0.93 0.74 0.54 0.68 0.00 0.00 175.17 176.21 3knh s VAL 26 N -2.46 0.00 -0.07 2.11 0.11 -0.58 -4.90 120.40 114.61 3knh s VAL 26 Ca 0.57 0.00 -0.34 0.00 -2.93 0.00 0.00 61.98 59.27 3knh s VAL 26 Cb -0.09 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.64 3knh s VAL 26 CO 0.35 0.00 1.84 -2.65 -3.33 0.00 0.00 175.10 171.31 3knh n PRO 27 N 0.38 2.13 -1.22 1.54 -0.02 -1.26 -2.02 135.00 134.54 3knh n PRO 27 Ca -0.16 0.78 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 3knh n PRO 27 Cb 0.60 -2.61 0.12 0.00 -0.02 0.00 0.00 33.50 31.58 3knh n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knh n ALA 28 N 6.26 0.12 -3.49 3.55 0.00 -1.20 -4.88 120.51 120.87 3knh n ALA 28 Ca 0.22 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.40 3knh n ALA 28 Cb 0.29 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.44 3knh n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knh s SER 29 N -1.96 -0.41 0.59 0.00 0.15 -1.26 -4.99 113.70 105.82 3knh s SER 29 Ca 0.75 0.61 0.29 0.00 0.70 0.00 0.00 55.95 58.30 3knh s SER 29 Cb -0.31 1.34 1.32 0.00 -1.71 0.00 0.00 66.02 66.66 3knh s SER 29 CO 0.49 -0.09 1.70 -0.09 1.20 0.00 0.00 173.24 176.45 3knh h ARG 30 N 6.60 0.00 0.21 5.44 2.43 -2.02 0.30 114.38 127.35 3knh h ARG 30 Ca -0.21 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.63 3knh h ARG 30 Cb 1.15 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.72 3knh h ARG 30 CO 0.14 0.00 -1.48 0.35 -1.51 0.00 0.00 179.97 177.47 3knh h PHE 31 N 0.00 0.82 -0.05 2.20 3.57 -2.01 -3.35 116.94 118.12 3knh h PHE 31 Ca 0.33 -0.60 -0.08 0.00 3.53 0.00 0.00 57.97 61.15 3knh h PHE 31 Cb 1.82 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 3knh h PHE 31 CO 0.00 1.52 -0.34 0.87 -2.23 0.00 0.00 178.31 178.13 3knh h LYS 32 N 0.12 0.10 -0.13 1.11 1.57 -0.79 -3.10 116.57 115.45 3knh h LYS 32 Ca -0.25 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3knh h LYS 32 Cb 2.12 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.41 3knh h LYS 32 CO 0.24 0.43 0.07 0.93 -0.57 0.00 0.00 179.45 180.56 3knh h GLU 33 N 0.09 0.19 0.00 3.15 5.08 -1.62 0.31 114.58 121.78 3knh h GLU 33 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3knh h GLU 33 Cb 0.65 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3knh h GLU 33 CO 0.05 0.21 0.02 0.39 -1.00 0.00 0.00 179.01 178.67 3knh n GLU 34 N -4.94 0.00 0.00 2.33 -0.58 -1.17 -0.84 120.64 115.43 3knh n GLU 34 Ca -0.05 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 3knh n GLU 34 Cb 0.07 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 3knh n GLU 34 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3knh n ILE 35 N -1.20 0.00 -0.26 -3.67 5.41 0.96 -4.17 119.36 116.44 3knh n ILE 35 Ca 0.00 0.49 0.14 0.00 1.00 0.00 0.00 62.75 64.38 3knh n ILE 35 Cb 0.02 -1.48 0.42 0.00 -0.71 0.00 0.00 39.64 37.88 3knh n ILE 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3knh h LEU 36 N 0.00 0.58 0.00 1.39 3.38 -0.97 0.78 115.31 120.47 3knh h LEU 36 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3knh h LEU 36 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3knh h LEU 36 CO 0.00 0.28 0.00 -1.14 0.09 0.00 0.00 178.44 177.67 3knh n ARG 37 N -4.55 0.07 -0.11 1.13 0.63 -0.02 -0.53 116.66 113.28 3knh n ARG 37 Ca 0.18 0.25 -0.14 0.00 -0.92 0.00 0.00 57.85 57.22 3knh n ARG 37 Cb 0.53 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.80 3knh n ARG 37 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3knh n ILE 38 N -1.40 1.45 0.24 5.15 5.41 0.26 -3.10 119.36 127.36 3knh n ILE 38 Ca 0.04 -0.72 0.10 0.00 1.00 0.00 0.00 62.75 63.17 3knh n ILE 38 Cb 0.11 -0.96 0.60 0.00 -0.71 0.00 0.00 39.64 38.69 3knh n ILE 38 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3knh h LEU 39 N 0.00 0.00 0.00 1.39 -0.00 0.34 -1.27 115.31 115.78 3knh h LEU 39 Ca -0.56 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.21 3knh h LEU 39 Cb 2.07 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.72 3knh h LEU 39 CO -0.03 0.19 -0.97 0.00 -0.00 0.00 0.00 178.44 177.63 3knh n ALA 40 N -2.33 0.66 -0.33 1.53 0.00 0.31 0.13 120.51 120.48 3knh n ALA 40 Ca -0.02 -0.54 0.31 0.00 0.00 0.00 0.00 53.44 53.20 3knh n ALA 40 Cb 0.29 -0.16 0.67 0.00 0.00 0.00 0.00 19.45 20.25 3knh n ALA 40 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3knh h ARG 41 N -1.00 0.13 0.16 0.00 1.12 -1.58 0.26 114.38 113.47 3knh h ARG 41 Ca -0.17 -0.01 -0.34 0.00 -1.11 0.00 0.00 59.98 58.36 3knh h ARG 41 Cb 0.91 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.84 3knh h ARG 41 CO -0.10 0.09 -1.68 0.93 -3.11 0.00 0.00 179.97 176.09 3knh h GLU 42 N 0.13 0.34 0.00 0.20 4.39 -1.39 -3.49 114.58 114.76 3knh h GLU 42 Ca 0.59 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3knh h GLU 42 Cb 2.04 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.91 3knh h GLU 42 CO -0.12 1.24 0.00 0.41 -1.16 0.00 0.00 179.01 179.38 3knh n GLY 43 N 1.79 0.10 0.21 -3.84 0.00 0.91 -5.04 105.19 99.33 3knh n GLY 43 Ca -0.22 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.90 3knh n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3knh h PHE 44 N 0.00 0.00 -4.40 1.61 0.04 0.85 -3.46 116.94 111.57 3knh h PHE 44 Ca 0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 3knh h PHE 44 Cb 0.00 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.00 3knh h PHE 44 CO 0.00 0.17 -0.59 0.96 -0.60 0.00 0.00 178.31 178.24 3knh s ILE 45 N -3.35 0.07 -0.04 -0.55 -4.36 -0.60 -4.47 121.20 107.89 3knh s ILE 45 Ca 0.04 -1.87 -0.21 0.00 -0.26 0.00 0.00 60.65 58.35 3knh s ILE 45 Cb 0.08 -2.16 -0.15 0.00 1.25 0.00 0.00 42.46 41.48 3knh s ILE 45 CO 0.65 -0.30 0.87 0.11 0.24 0.00 0.00 174.94 176.51 3knh h LYS 46 N 2.75 -0.26 0.00 0.37 1.57 -1.81 -3.37 116.57 115.81 3knh h LYS 46 Ca -0.35 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3knh h LYS 46 Cb 1.22 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3knh h LYS 46 CO 0.56 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 179.97 3knh n GLY 47 N 0.50 -0.69 0.00 3.86 0.00 -1.25 -4.82 105.19 102.79 3knh n GLY 47 Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3knh n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3knh n TYR 48 N 3.34 0.00 0.00 1.61 0.18 -1.25 -2.73 117.16 118.31 3knh n TYR 48 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3knh n TYR 48 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3knh n TYR 48 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 3knh n GLU 49 N 0.00 0.00 -1.62 -3.48 2.13 -1.10 -4.79 120.64 111.77 3knh n GLU 49 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 3knh n GLU 49 Cb 0.00 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.76 3knh n GLU 49 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3knh n ARG 50 N 0.00 0.97 0.00 5.31 1.74 -1.26 -1.86 116.66 121.56 3knh n ARG 50 Ca 0.00 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 3knh n ARG 50 Cb 0.00 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.26 3knh n ARG 50 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3knh n VAL 51 N -1.62 0.00 -3.68 1.55 0.24 0.22 -4.85 118.33 110.20 3knh n VAL 51 Ca 0.13 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.33 3knh n VAL 51 Cb 0.47 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.73 3knh n VAL 51 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3knh s ASP 52 N 1.06 -0.38 -0.15 -1.34 1.11 -1.26 -3.35 116.67 112.35 3knh s ASP 52 Ca 0.00 0.92 -0.00 0.00 0.18 0.00 0.00 52.55 53.65 3knh s ASP 52 Cb 0.00 0.99 0.03 0.00 1.07 0.00 0.00 42.92 45.02 3knh s ASP 52 CO 0.00 -0.21 -0.08 -0.69 1.18 0.00 0.00 175.17 175.37 3knh s VAL 53 N 1.91 1.24 -0.92 -1.27 1.01 -1.13 -4.80 120.40 116.44 3knh s VAL 53 Ca -0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 3knh s VAL 53 Cb -0.10 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.99 3knh s VAL 53 CO -0.13 0.25 0.07 0.47 0.00 0.00 0.00 175.10 175.76 3knh n ASP 54 N 4.85 0.20 0.00 3.32 8.00 -1.26 0.46 116.55 132.13 3knh n ASP 54 Ca -0.13 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.65 3knh n ASP 54 Cb 0.48 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 3knh n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3knh n GLY 55 N -1.67 2.43 3.57 0.44 0.00 -1.26 -4.97 105.19 103.73 3knh n GLY 55 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3knh n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knh s LYS 56 N -0.02 2.99 0.28 1.61 1.02 1.66 -4.95 119.74 122.32 3knh s LYS 56 Ca 0.00 0.91 -0.30 0.00 0.02 0.00 0.00 55.97 56.59 3knh s LYS 56 Cb 0.00 -4.28 -0.13 0.00 -0.52 0.00 0.00 37.83 32.91 3knh s LYS 56 CO 0.00 -2.29 1.42 -0.35 -0.92 0.00 0.00 175.35 173.21 3knh n PRO 57 N 8.80 2.19 -4.04 -1.68 -0.04 -1.26 -2.84 135.00 136.13 3knh n PRO 57 Ca 0.20 0.78 -0.12 0.00 -0.04 0.00 0.00 63.50 64.32 3knh n PRO 57 Cb 0.50 -2.44 -0.04 0.00 -0.04 0.00 0.00 33.50 31.48 3knh n PRO 57 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3knh s TYR 58 N -0.31 0.79 -0.05 0.54 1.51 -1.21 -3.21 117.35 115.40 3knh s TYR 58 Ca 0.64 -1.10 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 3knh s TYR 58 Cb -0.60 0.05 0.04 0.00 -0.11 0.00 0.00 41.96 41.34 3knh s TYR 58 CO 0.53 -1.12 0.10 -0.51 -1.11 0.00 0.00 175.55 173.44 3knh s LEU 59 N -3.16 0.24 0.09 -1.29 1.43 -0.85 0.71 118.68 115.85 3knh s LEU 59 Ca 0.27 0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 53.35 3knh s LEU 59 Cb -0.01 0.06 -0.07 0.00 0.03 0.00 0.00 46.19 46.21 3knh s LEU 59 CO 0.16 -0.22 0.63 -0.13 0.23 0.00 0.00 176.35 177.01 3knh s ARG 60 N 1.97 4.31 -0.32 1.70 1.81 -0.78 -1.52 118.95 126.12 3knh s ARG 60 Ca 0.01 0.85 0.02 0.00 -1.72 0.00 0.00 55.73 54.89 3knh s ARG 60 Cb -0.12 -3.26 0.08 0.00 -0.45 0.00 0.00 34.95 31.20 3knh s ARG 60 CO -0.04 0.58 0.02 0.08 -0.68 0.00 0.00 175.30 175.26 3knh s VAL 61 N -0.99 2.50 -0.04 3.52 1.01 0.11 -2.72 120.40 123.79 3knh s VAL 61 Ca 0.31 -1.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.02 3knh s VAL 61 Cb -0.20 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3knh s VAL 61 CO 0.21 -0.38 1.20 -0.31 0.00 0.00 0.00 175.10 175.81 3knh s TYR 62 N 1.04 3.21 -0.16 5.22 2.02 -1.11 -2.49 117.35 125.09 3knh s TYR 62 Ca 0.03 1.22 -0.15 0.00 -0.37 0.00 0.00 57.07 57.80 3knh s TYR 62 Cb -0.20 -3.42 -0.04 0.00 -0.40 0.00 0.00 41.96 37.90 3knh s TYR 62 CO -0.06 -1.31 0.36 -0.51 -1.57 0.00 0.00 175.55 172.46 3knh s LEU 63 N 2.09 4.24 -0.11 -1.29 1.02 -1.10 -2.44 118.68 121.08 3knh s LEU 63 Ca 0.56 0.58 -0.16 0.00 0.02 0.00 0.00 54.13 55.13 3knh s LEU 63 Cb -0.25 -2.48 -0.05 0.00 0.02 0.00 0.00 46.19 43.44 3knh s LEU 63 CO 0.23 0.04 0.41 -0.75 0.02 0.00 0.00 176.35 176.30 3knh s LYS 64 N 0.66 4.24 0.31 1.70 2.20 -1.26 -4.90 119.74 122.68 3knh s LYS 64 Ca 0.19 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 56.17 3knh s LYS 64 Cb -0.14 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 3knh s LYS 64 CO 0.06 0.28 0.14 0.71 -0.36 0.00 0.00 175.35 176.19 3knh s TYR 65 N 0.26 1.63 0.57 4.03 1.51 -1.26 -4.14 117.35 119.95 3knh s TYR 65 Ca 0.23 -1.32 -0.10 0.00 -1.01 0.00 0.00 57.07 54.87 3knh s TYR 65 Cb -0.15 -0.91 0.14 0.00 -0.11 0.00 0.00 41.96 40.93 3knh s TYR 65 CO 0.09 -0.45 0.57 0.41 -1.11 0.00 0.00 175.55 175.05 3knh n GLY 66 N -0.60 -2.28 3.95 0.71 0.00 -0.43 -4.80 105.19 101.73 3knh n GLY 66 Ca 0.00 -1.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 3knh n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3knh s PRO 67 N -4.27 3.48 0.31 1.61 0.04 -1.26 -4.64 135.00 130.27 3knh s PRO 67 Ca 0.35 -0.42 -0.29 0.00 0.04 0.00 0.00 61.00 60.69 3knh s PRO 67 Cb -0.03 -2.73 -0.10 0.00 0.04 0.00 0.00 34.50 31.68 3knh s PRO 67 CO 0.27 0.24 1.16 0.50 0.04 0.00 0.00 177.00 179.20 3knh s ARG 68 N -4.12 4.48 0.51 4.56 3.52 -1.26 -4.05 118.95 122.60 3knh s ARG 68 Ca 0.38 1.90 0.01 0.00 -0.13 0.00 0.00 55.73 57.90 3knh s ARG 68 Cb -0.10 -3.07 -0.01 0.00 -1.56 0.00 0.00 34.95 30.21 3knh s ARG 68 CO 0.34 0.03 0.01 1.03 -0.81 0.00 0.00 175.30 175.90 3knh s ARG 69 N -1.68 2.19 0.77 5.12 0.52 -1.22 -4.99 118.95 119.67 3knh s ARG 69 Ca 0.48 -2.38 -0.10 0.00 -0.52 0.00 0.00 55.73 53.20 3knh s ARG 69 Cb -0.33 -1.55 0.08 0.00 0.52 0.00 0.00 34.95 33.66 3knh s ARG 69 CO 0.43 -0.36 1.12 -0.65 0.02 0.00 0.00 175.30 175.86 3knh s GLN 70 N -3.89 1.98 1.48 3.54 -1.52 -1.26 -4.73 119.66 115.27 3knh s GLN 70 Ca 0.07 -0.08 0.00 0.00 -1.95 0.00 0.00 55.36 53.41 3knh s GLN 70 Cb 0.02 -2.04 0.00 0.00 -0.22 0.00 0.00 33.01 30.77 3knh s GLN 70 CO 0.04 -1.50 0.00 0.41 -0.25 0.00 0.00 175.29 173.99 3knh n GLY 71 N -3.18 -1.43 3.61 3.09 0.00 -1.26 -4.77 105.19 101.26 3knh n GLY 71 Ca 0.08 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 3knh n GLY 71 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3knh s PRO 72 N -0.20 0.35 -0.63 1.61 0.02 -1.26 -4.02 135.00 130.87 3knh s PRO 72 Ca 0.00 1.21 -0.17 0.00 0.02 0.00 0.00 61.00 62.07 3knh s PRO 72 Cb 0.00 -1.67 0.02 0.00 0.02 0.00 0.00 34.50 32.87 3knh s PRO 72 CO 0.00 -2.98 0.64 -3.47 -0.33 0.00 0.00 177.00 170.86 3knh n ASP 73 N -4.44 -5.85 -0.09 2.53 4.64 -1.26 -4.86 116.55 107.21 3knh n ASP 73 Ca 0.08 -0.37 -0.13 0.00 -1.38 0.00 0.00 54.79 52.99 3knh n ASP 73 Cb 0.53 -2.58 -0.04 0.00 -1.04 0.00 0.00 41.12 37.99 3knh n ASP 73 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3knh h PRO 74 N 0.98 0.67 0.00 -0.67 0.13 -1.85 -3.46 132.00 127.79 3knh h PRO 74 Ca -0.45 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 3knh h PRO 74 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3knh h PRO 74 CO 0.29 0.94 0.00 0.54 -0.23 0.00 0.00 178.00 179.54 3knh n ARG 75 N -4.31 0.00 -1.64 0.86 1.74 -1.26 -3.44 116.66 108.60 3knh n ARG 75 Ca -0.04 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.65 3knh n ARG 75 Cb 0.44 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.92 3knh n ARG 75 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3knh n PRO 76 N 0.00 1.19 -0.27 5.56 -0.04 -1.26 -4.86 135.00 135.32 3knh n PRO 76 Ca 0.00 0.44 -0.08 0.00 -0.04 0.00 0.00 63.50 63.83 3knh n PRO 76 Cb 0.00 -2.22 0.08 0.00 -0.04 0.00 0.00 33.50 31.31 3knh n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3knh n GLU 77 N -0.71 -0.60 -4.18 0.54 2.13 -1.26 -4.51 120.64 112.06 3knh n GLU 77 Ca 0.12 -0.37 -0.18 0.00 0.66 0.00 0.00 57.16 57.39 3knh n GLU 77 Cb 0.45 -0.78 -0.15 0.00 0.27 0.00 0.00 31.44 31.23 3knh n GLU 77 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3knh s GLN 78 N -2.50 0.63 0.17 5.31 0.74 -1.26 -1.31 119.66 121.44 3knh s GLN 78 Ca 0.17 -0.15 -0.06 0.00 0.05 0.00 0.00 55.36 55.37 3knh s GLN 78 Cb -0.03 -0.64 0.05 0.00 1.10 0.00 0.00 33.01 33.49 3knh s GLN 78 CO 0.14 0.03 1.47 0.28 -0.55 0.00 0.00 175.29 176.66 3knh h VAL 79 N 5.58 1.31 -2.86 1.34 2.07 -1.87 -3.17 116.25 118.63 3knh h VAL 79 Ca -0.34 -1.79 -0.81 0.00 0.82 0.00 0.00 66.70 64.58 3knh h VAL 79 Cb 1.17 1.74 -0.28 0.00 -1.52 0.00 0.00 31.29 32.40 3knh h VAL 79 CO 0.49 0.56 0.82 -0.38 0.02 0.00 0.00 177.57 179.08 3knh n ILE 80 N -3.97 5.37 -0.30 4.57 5.41 -1.26 -4.81 119.36 124.37 3knh n ILE 80 Ca -0.04 -5.93 0.15 0.00 1.00 0.00 0.00 62.75 57.93 3knh n ILE 80 Cb 0.62 -2.05 0.40 0.00 -0.71 0.00 0.00 39.64 37.89 3knh n ILE 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 3knh h HIS 81 N 5.38 0.84 -3.12 1.39 3.86 -1.48 -3.43 115.15 118.59 3knh h HIS 81 Ca 0.22 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.36 3knh h HIS 81 Cb 0.60 -0.26 -0.18 0.00 1.06 0.00 0.00 27.41 28.63 3knh h HIS 81 CO 1.04 0.22 -0.21 -1.58 0.86 0.00 0.00 177.93 178.26 3knh s HIS 82 N -5.67 -0.18 -0.29 2.45 5.65 0.66 -5.02 115.29 112.90 3knh s HIS 82 Ca -0.10 0.15 -0.16 0.00 0.25 0.00 0.00 55.06 55.20 3knh s HIS 82 Cb 0.24 0.13 0.12 0.00 -1.18 0.00 0.00 32.58 31.88 3knh s HIS 82 CO 0.79 -0.49 0.85 -1.50 -0.65 0.00 0.00 174.74 173.75 3knh s ILE 83 N -2.12 0.00 0.02 0.89 2.07 -1.26 -0.38 121.20 120.41 3knh s ILE 83 Ca -0.08 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 3knh s ILE 83 Cb -0.02 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.56 3knh s ILE 83 CO -0.00 0.00 -0.03 -0.60 -1.91 0.00 0.00 174.94 172.39 3knh s ARG 84 N 1.45 0.27 0.07 3.50 6.06 0.02 -5.00 118.95 125.32 3knh s ARG 84 Ca -0.09 -0.41 -0.30 0.00 -2.50 0.00 0.00 55.73 52.43 3knh s ARG 84 Cb -0.04 -0.05 -0.05 0.00 0.06 0.00 0.00 34.95 34.87 3knh s ARG 84 CO -0.17 0.00 1.00 0.50 -2.50 0.00 0.00 175.30 174.13 3knh s ARG 85 N -0.89 4.62 0.00 5.12 3.00 -1.26 -2.15 118.95 127.39 3knh s ARG 85 Ca -0.08 1.48 0.00 0.00 -1.00 0.00 0.00 55.73 56.13 3knh s ARG 85 Cb -0.06 -3.40 0.00 0.00 0.00 0.00 0.00 34.95 31.49 3knh s ARG 85 CO -0.00 0.06 0.00 -0.89 0.00 0.00 0.00 175.30 174.47 3knh n ILE 86 N 3.29 0.00 -2.23 4.11 2.08 0.13 -4.83 119.36 121.91 3knh n ILE 86 Ca 0.04 0.25 -0.40 0.00 0.56 0.00 0.00 62.75 63.20 3knh n ILE 86 Cb 0.49 -1.21 -0.03 0.00 -0.75 0.00 0.00 39.64 38.14 3knh n ILE 86 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3knh s SER 87 N -2.45 5.75 0.19 4.38 0.15 -0.47 -4.86 113.70 116.38 3knh s SER 87 Ca 0.00 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.95 3knh s SER 87 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 3knh s SER 87 CO 0.00 -2.01 0.36 -0.54 1.20 0.00 0.00 173.24 172.25 3knh s LYS 88 N 6.21 3.50 0.50 5.44 1.02 -1.16 -4.81 119.74 130.43 3knh s LYS 88 Ca 0.59 -0.41 0.24 0.00 0.02 0.00 0.00 55.97 56.41 3knh s LYS 88 Cb -0.12 -2.87 1.31 0.00 -0.52 0.00 0.00 37.83 35.62 3knh s LYS 88 CO 0.23 0.43 1.93 -1.00 -0.92 0.00 0.00 175.35 176.02 3knh h PRO 89 N 2.04 0.14 -0.27 -1.68 0.13 -1.93 -0.68 132.00 129.74 3knh h PRO 89 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3knh h PRO 89 Cb 1.19 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3knh h PRO 89 CO 0.68 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 3knh n GLY 90 N -1.62 -0.16 0.00 1.56 0.00 -1.26 -4.59 105.19 99.12 3knh n GLY 90 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3knh n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3knh n ARG 91 N -0.23 0.00 -2.27 1.61 0.63 -0.27 -5.17 116.66 110.95 3knh n ARG 91 Ca 0.02 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.62 3knh n ARG 91 Cb 0.12 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.02 3knh n ARG 91 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3knh s ARG 92 N 0.00 3.53 -0.18 -0.14 1.81 -1.13 -2.98 118.95 119.87 3knh s ARG 92 Ca 0.00 1.29 -0.02 0.00 -1.72 0.00 0.00 55.73 55.28 3knh s ARG 92 Cb 0.00 -2.06 -0.01 0.00 -0.45 0.00 0.00 34.95 32.43 3knh s ARG 92 CO 0.00 -0.64 -0.09 0.08 -0.68 0.00 0.00 175.30 173.97 3knh s VAL 93 N -2.22 3.21 -0.09 3.52 1.01 -1.26 -4.93 120.40 119.64 3knh s VAL 93 Ca 0.66 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3knh s VAL 93 Cb -0.16 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.82 3knh s VAL 93 CO 0.29 0.47 -0.14 -0.31 0.00 0.00 0.00 175.10 175.42 3knh s TYR 94 N 0.96 1.77 -0.10 5.22 2.02 -1.26 -1.54 117.35 124.41 3knh s TYR 94 Ca -0.01 -0.78 0.02 0.00 -0.37 0.00 0.00 57.07 55.93 3knh s TYR 94 Cb -0.15 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.13 3knh s TYR 94 CO -0.00 -0.41 -0.15 0.14 -1.57 0.00 0.00 175.55 173.56 3knh s VAL 95 N 0.94 1.45 0.72 0.71 -7.23 -0.59 -4.93 120.40 111.47 3knh s VAL 95 Ca -0.08 -0.62 -0.12 0.00 -1.81 0.00 0.00 61.98 59.34 3knh s VAL 95 Cb -0.15 -1.33 0.18 0.00 0.56 0.00 0.00 36.38 35.64 3knh s VAL 95 CO -0.00 0.43 0.75 0.61 -0.31 0.00 0.00 175.10 176.58 3knh n GLY 96 N 4.14 -2.20 0.00 2.32 0.00 -1.26 0.52 105.19 108.70 3knh n GLY 96 Ca -0.19 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3knh n GLY 96 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3knh n VAL 97 N -3.71 0.00 0.18 1.61 3.14 -1.10 -2.31 118.33 116.14 3knh n VAL 97 Ca 0.10 0.85 0.04 0.00 -2.96 0.00 0.00 64.34 62.37 3knh n VAL 97 Cb 0.37 -1.64 0.19 0.00 -1.06 0.00 0.00 33.84 31.71 3knh n VAL 97 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 3knh h LYS 98 N 0.00 0.00 -0.00 1.45 1.57 -1.94 0.59 116.57 118.23 3knh h LYS 98 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3knh h LYS 98 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3knh h LYS 98 CO 0.00 0.00 -0.02 0.39 -0.57 0.00 0.00 179.45 179.25 3knh n GLU 99 N -1.98 1.10 -2.20 3.15 1.02 -0.98 -4.89 120.64 115.86 3knh n GLU 99 Ca -0.00 -0.31 -0.41 0.00 -0.02 0.00 0.00 57.16 56.41 3knh n GLU 99 Cb 0.57 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 3knh n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3knh s ILE 100 N -2.11 3.21 0.20 -3.67 1.01 0.21 -4.79 121.20 115.25 3knh s ILE 100 Ca 0.41 0.97 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 3knh s ILE 100 Cb 0.21 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 3knh s ILE 100 CO 0.38 0.13 1.19 -2.84 0.00 0.00 0.00 174.94 173.81 3knh s PRO 101 N 0.12 4.50 -0.35 2.79 0.02 -1.26 -5.01 135.00 135.81 3knh s PRO 101 Ca 0.58 1.88 -0.18 0.00 0.02 0.00 0.00 61.00 63.31 3knh s PRO 101 Cb -0.37 -3.23 -0.00 0.00 0.02 0.00 0.00 34.50 30.92 3knh s PRO 101 CO 0.37 -0.07 0.50 1.03 -0.33 0.00 0.00 177.00 178.50 3knh s ARG 102 N -0.41 3.61 -0.42 5.54 0.52 -1.26 -4.84 118.95 121.70 3knh s ARG 102 Ca 0.52 -0.19 -0.16 0.00 -0.52 0.00 0.00 55.73 55.38 3knh s ARG 102 Cb -0.33 -3.81 0.02 0.00 0.52 0.00 0.00 34.95 31.36 3knh s ARG 102 CO 0.38 -0.63 0.36 0.08 0.02 0.00 0.00 175.30 175.50 3knh s VAL 103 N 2.35 5.19 -0.85 3.52 1.01 -1.26 -4.16 120.40 126.20 3knh s VAL 103 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3knh s VAL 103 Cb -0.16 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3knh s VAL 103 CO 0.13 -0.36 0.00 -1.14 0.00 0.00 0.00 175.10 173.73 3knh n ARG 104 N 5.34 -0.75 -1.03 2.72 3.00 -1.26 -1.09 116.66 123.58 3knh n ARG 104 Ca -0.10 0.52 -0.01 0.00 -0.00 0.00 0.00 57.85 58.26 3knh n ARG 104 Cb 0.47 -4.53 -0.00 0.00 0.00 0.00 0.00 32.46 28.39 3knh n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3knh n ARG 105 N -2.04 -1.44 0.00 -0.14 5.12 -1.26 -3.34 116.66 113.57 3knh n ARG 105 Ca -0.11 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 3knh n ARG 105 Cb 0.55 -4.52 0.00 0.00 -1.16 0.00 0.00 32.46 27.33 3knh n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3knh n GLY 106 N -0.14 3.55 0.38 -0.13 0.00 -0.79 -5.00 105.19 103.05 3knh n GLY 106 Ca -0.01 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.46 3knh n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3knh h LEU 107 N 0.00 -1.28-10.15 0.99 3.38 -1.59 -3.40 115.31 103.27 3knh h LEU 107 Ca 0.00 0.31 -0.48 0.00 0.09 0.00 0.00 57.88 57.80 3knh h LEU 107 Cb 0.00 0.71 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3knh h LEU 107 CO 0.00 -0.30 0.26 -0.83 0.09 0.00 0.00 178.44 177.66 3knh s GLY 108 N -3.76 2.08 0.09 0.83 0.00 -0.25 -4.95 107.32 101.37 3knh s GLY 108 Ca -0.14 0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.68 3knh s GLY 108 CO 0.73 0.30 0.06 -1.50 0.00 0.00 0.00 173.10 172.70 3knh s ILE 109 N -2.44 4.36 -0.42 0.90 2.07 0.32 -4.28 121.20 121.71 3knh s ILE 109 Ca 0.56 -0.87 0.03 0.00 -1.41 0.00 0.00 60.65 58.96 3knh s ILE 109 Cb -0.10 -3.11 0.11 0.00 0.13 0.00 0.00 42.46 39.50 3knh s ILE 109 CO 0.28 0.10 0.16 0.00 -1.91 0.00 0.00 174.94 173.57 3knh s ALA 110 N -1.40 3.10 0.23 1.50 0.00 -1.26 0.12 121.76 124.05 3knh s ALA 110 Ca 0.28 -2.82 -0.30 0.00 0.00 0.00 0.00 51.96 49.13 3knh s ALA 110 Cb -0.12 -2.12 -0.09 0.00 0.00 0.00 0.00 23.12 20.80 3knh s ALA 110 CO 0.21 -1.83 1.02 0.42 0.00 0.00 0.00 175.76 175.58 3knh s ILE 111 N 0.49 3.88 0.14 0.00 1.01 0.86 -1.94 121.20 125.63 3knh s ILE 111 Ca 0.13 1.81 -0.20 0.00 0.00 0.00 0.00 60.65 62.39 3knh s ILE 111 Cb -0.22 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.15 3knh s ILE 111 CO -0.05 0.40 0.50 -1.48 0.00 0.00 0.00 174.94 174.31 3knh s LEU 112 N -1.02 -0.09 -0.03 2.97 0.05 -0.83 -1.75 118.68 117.98 3knh s LEU 112 Ca 0.44 -0.13 -0.02 0.00 0.05 0.00 0.00 54.13 54.47 3knh s LEU 112 Cb -0.28 2.22 -0.04 0.00 -2.05 0.00 0.00 46.19 46.04 3knh s LEU 112 CO 0.35 -0.90 0.09 -0.44 -0.55 0.00 0.00 176.35 174.90 3knh s SER 113 N -2.72 5.78 0.22 1.48 0.01 -0.71 -1.75 113.70 116.01 3knh s SER 113 Ca 0.01 0.21 -0.09 0.00 1.31 0.00 0.00 55.95 57.39 3knh s SER 113 Cb 0.00 -1.70 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 3knh s SER 113 CO -0.12 0.31 0.35 0.42 0.41 0.00 0.00 173.24 174.61 3knh s THR 114 N -1.14 0.01 0.65 1.44 -4.23 -1.16 -2.81 115.64 108.40 3knh s THR 114 Ca 0.21 -1.56 0.24 0.00 -1.18 0.00 0.00 61.69 59.39 3knh s THR 114 Cb -0.12 -2.23 0.26 0.00 1.34 0.00 0.00 72.50 71.75 3knh s THR 114 CO 0.11 -0.04 1.71 0.77 -0.54 0.00 0.00 174.62 176.62 3knh h SER 115 N 2.40 0.00 -0.61 3.99 4.64 -2.00 0.41 113.55 122.38 3knh h SER 115 Ca -0.30 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.60 3knh h SER 115 Cb 1.25 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.05 3knh h SER 115 CO 0.42 0.00 -0.37 0.29 -0.87 0.00 0.00 176.83 176.30 3knh n LYS 116 N -2.98 2.85 -0.16 4.77 5.02 -1.26 -5.08 118.16 121.30 3knh n LYS 116 Ca 0.02 -3.73 0.02 0.00 -2.02 0.00 0.00 58.31 52.60 3knh n LYS 116 Cb 0.61 -2.10 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 3knh n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knh n GLY 117 N -0.88 -1.43 3.70 0.72 0.00 0.14 -4.90 105.19 102.53 3knh n GLY 117 Ca 0.41 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 3knh n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knh s VAL 118 N -1.28 2.49 0.13 1.61 1.01 -1.26 -2.97 120.40 120.13 3knh s VAL 118 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 3knh s VAL 118 Cb 0.00 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 3knh s VAL 118 CO 0.00 0.00 0.26 -0.76 0.00 0.00 0.00 175.10 174.60 3knh s LEU 119 N 2.49 1.08 0.00 3.92 1.43 -0.71 -5.01 118.68 121.87 3knh s LEU 119 Ca 0.79 -0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 53.10 3knh s LEU 119 Cb -0.46 1.20 0.13 0.00 0.03 0.00 0.00 46.19 47.09 3knh s LEU 119 CO 0.35 -0.83 0.80 0.35 0.23 0.00 0.00 176.35 177.25 3knh n THR 120 N -0.16 0.00 0.15 5.49 -2.24 -1.26 -1.97 114.28 114.29 3knh n THR 120 Ca -0.11 -0.86 0.02 0.00 -2.27 0.00 0.00 64.05 60.83 3knh n THR 120 Cb 0.63 -1.38 0.36 0.00 -2.10 0.00 0.00 70.33 67.84 3knh n THR 120 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3knh h ASP 121 N -0.82 0.13 -0.04 3.42 -0.00 -1.75 -2.40 116.42 114.96 3knh h ASP 121 Ca -0.26 -0.04 -0.05 0.00 -0.00 0.00 0.00 57.03 56.68 3knh h ASP 121 Cb 0.82 -0.04 0.00 0.00 -0.00 0.00 0.00 39.33 40.12 3knh h ASP 121 CO 0.22 0.41 -0.19 0.03 -0.00 0.00 0.00 179.24 179.72 3knh h ARG 122 N 0.12 0.21 0.52 4.15 3.08 -1.93 -3.27 114.38 117.26 3knh h ARG 122 Ca 0.02 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3knh h ARG 122 Cb 0.55 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3knh h ARG 122 CO 0.04 0.80 -0.48 0.93 -1.07 0.00 0.00 179.97 180.19 3knh h GLU 123 N -0.35 -0.95 -1.01 0.04 5.08 -1.89 -1.81 114.58 113.69 3knh h GLU 123 Ca -0.01 0.06 0.25 0.00 -1.00 0.00 0.00 59.36 58.66 3knh h GLU 123 Cb 0.83 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 30.21 3knh h GLU 123 CO 0.04 -0.63 0.66 0.00 -1.00 0.00 0.00 179.01 178.07 3knh h ALA 124 N -0.99 2.22 0.13 3.43 0.00 -1.58 0.38 119.26 122.85 3knh h ALA 124 Ca -0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3knh h ALA 124 Cb 0.85 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3knh h ALA 124 CO -0.04 -0.59 -0.06 -0.09 0.00 0.00 0.00 179.25 178.47 3knh h ARG 125 N 0.41 -0.16 0.09 0.00 2.43 -1.53 1.47 114.38 117.08 3knh h ARG 125 Ca 0.57 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.75 3knh h ARG 125 Cb 1.42 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.98 3knh h ARG 125 CO -0.27 -0.11 -0.33 -0.22 -1.51 0.00 0.00 179.97 177.53 3knh h LYS 126 N -0.24 -0.47 -1.23 0.20 3.64 -0.91 0.36 116.57 117.94 3knh h LYS 126 Ca -0.02 0.03 0.35 0.00 -1.27 0.00 0.00 60.65 59.75 3knh h LYS 126 Cb 0.13 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 3knh h LYS 126 CO 0.03 -0.31 0.85 1.25 -2.27 0.00 0.00 179.45 179.00 3knh h LEU 127 N -0.48 0.14 -2.08 5.20 7.12 -0.41 -3.45 115.31 121.34 3knh h LEU 127 Ca -0.01 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.04 3knh h LEU 127 Cb 0.48 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 3knh h LEU 127 CO -0.18 0.00 0.00 0.61 -0.13 0.00 0.00 178.44 178.75 3knh n GLY 128 N -1.68 -0.10 0.00 3.75 0.00 0.13 -5.05 105.19 102.24 3knh n GLY 128 Ca 0.28 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3knh n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3knh n VAL 129 N -0.54 0.00 0.00 1.61 0.24 0.49 -4.99 118.33 115.15 3knh n VAL 129 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3knh n VAL 129 Cb 0.19 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 3knh n VAL 129 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knh n GLY 130 N 0.16 -0.22 0.00 7.63 0.00 -1.26 -2.71 105.19 108.79 3knh n GLY 130 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3knh n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knh n GLY 131 N -0.49 0.96 3.68 -0.02 0.00 0.18 -4.26 105.19 105.24 3knh n GLY 131 Ca 0.00 -1.92 -0.46 0.00 0.00 0.00 0.00 46.02 43.63 3knh n GLY 131 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3knh n GLU 132 N 0.00 2.34 -3.00 1.61 2.13 -1.12 -1.54 120.64 121.06 3knh n GLU 132 Ca 0.00 0.85 -0.43 0.00 0.66 0.00 0.00 57.16 58.24 3knh n GLU 132 Cb 0.00 -2.70 -0.06 0.00 0.27 0.00 0.00 31.44 28.95 3knh n GLU 132 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3knh s LEU 133 N 3.19 4.37 -0.09 4.31 0.20 -0.59 -1.74 118.68 128.33 3knh s LEU 133 Ca 0.88 -0.30 -0.13 0.00 0.69 0.00 0.00 54.13 55.27 3knh s LEU 133 Cb -0.63 -2.83 -0.10 0.00 -0.43 0.00 0.00 46.19 42.20 3knh s LEU 133 CO 0.45 -0.93 0.45 0.40 -0.29 0.00 0.00 176.35 176.43 3knh h ILE 134 N 5.95 0.55 -2.04 6.68 1.08 -1.79 -1.25 117.51 126.71 3knh h ILE 134 Ca -0.25 -1.24 -0.05 0.00 -0.39 0.00 0.00 64.86 62.93 3knh h ILE 134 Cb 1.09 1.00 -0.20 0.00 -3.07 0.00 0.00 36.82 35.64 3knh h ILE 134 CO 0.97 0.17 0.13 0.00 -0.69 0.00 0.00 178.15 178.73 3knh s GLU 136 N -0.14 4.11 -0.02 0.00 -1.05 -0.91 -0.10 118.70 120.59 3knh s GLU 136 Ca -0.04 -0.17 0.01 0.00 -0.15 0.00 0.00 54.97 54.62 3knh s GLU 136 Cb -0.03 -3.39 0.02 0.00 -0.44 0.00 0.00 34.13 30.28 3knh s GLU 136 CO 0.04 0.35 -0.01 0.08 0.95 0.00 0.00 175.26 176.67 3knh s VAL 137 N 0.20 0.17 0.00 1.83 1.01 0.33 -0.80 120.40 123.14 3knh s VAL 137 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3knh s VAL 137 Cb -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3knh s VAL 137 CO -0.01 0.11 0.00 -2.67 0.00 0.00 0.00 175.10 172.54