#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n PHE 12 N 0.00 0.00 0.00 5.58 -0.00 -1.26 -4.90 117.46 116.88 3kiy n PHE 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3kiy n PHE 12 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 39.48 39.34 3kiy n PHE 12 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 3kiy n ARG 13 N -0.80 0.00 -3.77 3.97 1.85 -1.26 -4.79 116.66 111.86 3kiy n ARG 13 Ca 0.15 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.80 3kiy n ARG 13 Cb 0.28 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.69 3kiy n ARG 13 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3kiy n VAL 14 N 0.00 -1.02 -2.98 8.89 0.31 -1.26 -4.82 118.33 117.45 3kiy n VAL 14 Ca 0.00 -0.26 -0.43 0.00 -0.01 0.00 0.00 64.34 63.64 3kiy n VAL 14 Cb 0.00 -0.88 0.01 0.00 -0.91 0.00 0.00 33.84 32.05 3kiy n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kiy n ARG 15 N -2.79 4.19 0.00 5.55 3.00 -1.26 -4.39 116.66 120.96 3kiy n ARG 15 Ca -0.07 -4.40 0.15 0.00 -0.01 0.00 0.00 57.85 53.52 3kiy n ARG 15 Cb 0.27 -2.58 0.72 0.00 0.00 0.00 0.00 32.46 30.87 3kiy n ARG 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3kiy n ASN 16 N 1.99 0.51 0.00 0.55 0.23 -1.26 -2.78 115.26 114.51 3kiy n ASN 16 Ca 0.28 -0.92 0.09 0.00 -0.53 0.00 0.00 54.58 53.50 3kiy n ASN 16 Cb 0.35 -0.04 0.55 0.00 -2.08 0.00 0.00 39.78 38.55 3kiy n ASN 16 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3kiy n ARG 17 N -0.73 0.77 0.00 -3.83 1.85 -1.26 -0.92 116.66 112.53 3kiy n ARG 17 Ca 0.19 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 57.14 3kiy n ARG 17 Cb 0.23 -1.37 -0.03 0.00 -1.05 0.00 0.00 32.46 30.23 3kiy n ARG 17 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 3kiy n ILE 18 N -0.87 0.00 0.71 8.89 3.06 -1.12 -3.85 119.36 126.17 3kiy n ILE 18 Ca 0.14 -0.04 -0.00 0.00 -2.50 0.00 0.00 62.75 60.34 3kiy n ILE 18 Cb 0.06 0.91 0.05 0.00 0.54 0.00 0.00 39.64 41.20 3kiy n ILE 18 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 3kiy n LYS 19 N -1.26 1.47 -2.85 9.51 4.81 -0.10 -4.85 118.16 124.88 3kiy n LYS 19 Ca 0.05 -0.46 -0.42 0.00 -0.87 0.00 0.00 58.31 56.61 3kiy n LYS 19 Cb 0.35 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.86 3kiy n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3kiy s ARG 20 N -1.05 3.81 -0.28 1.64 1.81 -1.25 -4.99 118.95 118.64 3kiy s ARG 20 Ca 0.08 0.49 -0.02 0.00 -1.72 0.00 0.00 55.73 54.56 3kiy s ARG 20 Cb 0.06 -3.80 0.12 0.00 -0.45 0.00 0.00 34.95 30.88 3kiy s ARG 20 CO 0.02 -0.92 0.22 0.99 -0.68 0.00 0.00 175.30 174.93 3kiy s THR 21 N 3.35 -0.26 0.00 0.02 2.01 -1.26 -4.91 115.64 114.60 3kiy s THR 21 Ca 0.36 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.81 3kiy s THR 21 Cb -0.12 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.44 3kiy s THR 21 CO 0.18 -0.54 0.00 0.61 -0.69 0.00 0.00 174.62 174.18 3kiy n GLY 22 N 5.29 0.07 0.43 4.40 0.00 -1.26 -5.14 105.19 108.98 3kiy n GLY 22 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.01 3kiy n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy n ARG 23 N 0.00 -0.45 -2.47 1.61 1.74 -1.26 -4.77 116.66 111.06 3kiy n ARG 23 Ca 0.00 0.32 -0.01 0.00 -0.77 0.00 0.00 57.85 57.39 3kiy n ARG 23 Cb 0.00 -0.76 -0.01 0.00 -1.02 0.00 0.00 32.46 30.68 3kiy n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kiy n LEU 24 N -1.70 -3.20 -4.39 0.55 7.99 -1.26 -4.11 117.00 110.89 3kiy n LEU 24 Ca -0.00 1.42 -0.33 0.00 -0.01 0.00 0.00 56.01 57.09 3kiy n LEU 24 Cb 0.53 -1.98 -0.14 0.00 -0.11 0.00 0.00 43.42 41.71 3kiy n LEU 24 CO 0.00 -2.44 -0.44 -0.60 -1.51 0.00 0.00 177.39 172.40 3kiy s ARG 25 N -0.17 3.33 -1.23 3.23 3.52 -0.84 -0.23 118.95 126.56 3kiy s ARG 25 Ca -0.03 -0.67 -0.04 0.00 -0.13 0.00 0.00 55.73 54.85 3kiy s ARG 25 Cb 0.00 -2.63 0.18 0.00 -1.56 0.00 0.00 34.95 30.95 3kiy s ARG 25 CO 0.09 0.25 2.20 1.28 -0.81 0.00 0.00 175.30 178.31 3kiy n LEU 26 N 3.42 7.81 -4.55 -0.88 4.77 0.60 -2.01 117.00 126.17 3kiy n LEU 26 Ca -0.18 -5.04 -0.25 0.00 -0.03 0.00 0.00 56.01 50.51 3kiy n LEU 26 Cb 0.53 -1.31 -0.07 0.00 -2.33 0.00 0.00 43.42 40.24 3kiy n LEU 26 CO 0.30 2.04 1.67 -0.24 -1.33 0.00 0.00 177.39 179.84 3kiy n SER 27 N 1.23 1.75 -4.90 -1.43 2.88 -0.51 -3.26 113.62 109.38 3kiy n SER 27 Ca 0.57 -0.93 -0.28 0.00 -1.33 0.00 0.00 58.87 56.90 3kiy n SER 27 Cb 0.25 -1.53 0.04 0.00 -0.75 0.00 0.00 64.21 62.23 3kiy n SER 27 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3kiy s VAL 28 N 12.59 3.55 -0.15 2.46 1.01 -1.26 -1.57 120.40 137.02 3kiy s VAL 28 Ca 1.00 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 3kiy s VAL 28 Cb -0.25 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 32.75 3kiy s VAL 28 CO 0.21 -0.52 0.23 0.12 0.00 0.00 0.00 175.10 175.14 3kiy s PHE 29 N -3.15 -0.32 0.15 5.22 5.99 -1.11 -4.51 117.98 120.25 3kiy s PHE 29 Ca 0.56 0.58 -0.13 0.00 0.00 0.00 0.00 56.93 57.94 3kiy s PHE 29 Cb -0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 43.02 42.63 3kiy s PHE 29 CO 0.48 -0.45 0.53 0.50 -0.00 0.00 0.00 175.22 176.28 3kiy s ARG 30 N 2.36 3.93 -0.13 10.12 6.06 -1.26 -2.38 118.95 137.65 3kiy s ARG 30 Ca 0.04 0.43 -0.07 0.00 -2.50 0.00 0.00 55.73 53.62 3kiy s ARG 30 Cb -0.14 -2.90 0.05 0.00 0.06 0.00 0.00 34.95 32.02 3kiy s ARG 30 CO -0.10 0.46 0.31 0.45 -2.50 0.00 0.00 175.30 173.93 3kiy s SER 31 N -1.82 -0.36 0.59 -2.12 0.15 -1.22 -4.97 113.70 103.96 3kiy s SER 31 Ca 0.39 0.66 0.20 0.00 0.70 0.00 0.00 55.95 57.90 3kiy s SER 31 Cb -0.14 0.56 1.08 0.00 -1.71 0.00 0.00 66.02 65.81 3kiy s SER 31 CO 0.19 -0.16 1.58 -0.07 1.20 0.00 0.00 173.24 175.98 3kiy h LEU 32 N 6.91 0.00 0.00 3.45 3.38 -2.06 -2.51 115.31 124.48 3kiy h LEU 32 Ca -0.37 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.25 3kiy h LEU 32 Cb 1.17 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 3kiy h LEU 32 CO 0.34 0.00 -2.13 1.17 0.09 0.00 0.00 178.44 177.91 3kiy n LYS 33 N -2.61 0.50 0.00 1.13 4.81 -1.26 -5.08 118.16 115.64 3kiy n LYS 33 Ca -0.01 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 3kiy n LYS 33 Cb 0.51 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 34.22 3kiy n LYS 33 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3kiy n HIS 34 N -4.10 0.00 -2.65 5.64 8.25 -0.95 -4.96 115.22 116.44 3kiy n HIS 34 Ca -0.42 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.00 3kiy n HIS 34 Cb 0.78 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.95 3kiy n HIS 34 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3kiy n ILE 35 N 0.00 0.00 -0.83 1.59 3.06 -1.26 -3.41 119.36 118.51 3kiy n ILE 35 Ca 0.00 -0.27 -0.19 0.00 -2.50 0.00 0.00 62.75 59.79 3kiy n ILE 35 Cb 0.00 0.74 0.16 0.00 0.54 0.00 0.00 39.64 41.09 3kiy n ILE 35 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 3kiy n TYR 36 N 2.07 -3.56 0.00 9.51 4.02 -1.00 -3.55 117.16 124.65 3kiy n TYR 36 Ca 0.06 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 57.31 3kiy n TYR 36 Cb 0.69 -0.74 0.00 0.00 -0.02 0.00 0.00 39.34 39.27 3kiy n TYR 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kiy n ALA 37 N -4.24 0.00 -2.35 -0.72 0.00 -1.26 -2.74 120.51 109.20 3kiy n ALA 37 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 3kiy n ALA 37 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 3kiy n ALA 37 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3kiy s GLN 38 N 0.00 0.89 -0.35 0.00 -2.07 -0.61 -2.26 119.66 115.26 3kiy s GLN 38 Ca 0.00 -1.27 -0.05 0.00 -1.82 0.00 0.00 55.36 52.23 3kiy s GLN 38 Cb 0.00 -0.46 0.06 0.00 -1.09 0.00 0.00 33.01 31.52 3kiy s GLN 38 CO 0.00 0.05 0.10 0.42 -1.32 0.00 0.00 175.29 174.55 3kiy s ILE 39 N -2.94 3.54 0.39 3.63 1.01 -0.96 -1.42 121.20 124.44 3kiy s ILE 39 Ca 0.09 -1.35 0.08 0.00 0.00 0.00 0.00 60.65 59.47 3kiy s ILE 39 Cb 0.00 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 3kiy s ILE 39 CO -0.01 -0.26 0.35 -0.63 0.00 0.00 0.00 174.94 174.39 3kiy s ILE 40 N 1.33 2.97 -0.32 2.92 1.01 -0.85 -0.27 121.20 127.99 3kiy s ILE 40 Ca -0.01 -1.34 -0.02 0.00 0.00 0.00 0.00 60.65 59.28 3kiy s ILE 40 Cb -0.20 -3.06 0.12 0.00 0.01 0.00 0.00 42.46 39.32 3kiy s ILE 40 CO 0.01 -0.06 0.17 -0.62 0.00 0.00 0.00 174.94 174.43 3kiy s ASP 41 N -4.09 3.28 1.37 3.58 2.15 -1.02 -1.98 116.67 119.96 3kiy s ASP 41 Ca 0.46 -1.71 -0.20 0.00 0.43 0.00 0.00 52.55 51.53 3kiy s ASP 41 Cb -0.04 -0.37 0.35 0.00 -0.30 0.00 0.00 42.92 42.56 3kiy s ASP 41 CO 0.28 -0.38 0.94 -1.81 -0.17 0.00 0.00 175.17 174.03 3kiy s ASP 42 N 1.62 -0.68 0.00 -0.34 1.11 -1.26 -2.71 116.67 114.40 3kiy s ASP 42 Ca 0.13 1.07 0.00 0.00 0.18 0.00 0.00 52.55 53.94 3kiy s ASP 42 Cb -0.19 -1.58 0.00 0.00 1.07 0.00 0.00 42.92 42.21 3kiy s ASP 42 CO -0.19 -5.16 0.00 -0.62 1.18 0.00 0.00 175.17 170.38 3kiy n GLU 43 N -5.52 0.00 0.00 8.23 1.02 -1.26 -4.39 120.64 118.72 3kiy n GLU 43 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3kiy n GLU 43 Cb 0.58 -3.24 0.00 0.00 -0.02 0.00 0.00 31.44 28.76 3kiy n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kiy n LYS 44 N -2.00 1.63 0.00 3.49 5.02 -1.14 -5.03 118.16 120.13 3kiy n LYS 44 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kiy n LYS 44 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 3kiy n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kiy n GLY 45 N 0.75 1.72 3.79 0.72 0.00 -1.10 -4.95 105.19 106.12 3kiy n GLY 45 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kiy n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kiy s VAL 46 N -0.43 3.71 -0.11 1.61 1.01 -1.26 -4.86 120.40 120.07 3kiy s VAL 46 Ca 0.00 1.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.95 3kiy s VAL 46 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3kiy s VAL 46 CO 0.00 -0.28 0.07 -0.89 0.00 0.00 0.00 175.10 174.01 3kiy s THR 47 N -2.04 4.94 -0.16 3.92 2.01 -1.26 -2.44 115.64 120.61 3kiy s THR 47 Ca 0.67 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.66 3kiy s THR 47 Cb -0.17 -3.12 -0.23 0.00 0.01 0.00 0.00 72.50 68.98 3kiy s THR 47 CO 0.24 0.61 0.21 0.18 -0.69 0.00 0.00 174.62 175.17 3kiy n LEU 48 N 2.12 2.34 -4.17 4.42 4.32 0.63 -4.97 117.00 121.68 3kiy n LEU 48 Ca -0.19 0.12 -0.10 0.00 -0.02 0.00 0.00 56.01 55.81 3kiy n LEU 48 Cb 0.54 -0.79 -0.10 0.00 -1.62 0.00 0.00 43.42 41.45 3kiy n LEU 48 CO 0.30 0.80 -0.36 -0.69 -1.22 0.00 0.00 177.39 176.22 3kiy s VAL 49 N -2.55 0.52 -0.18 4.08 1.01 -1.12 -5.01 120.40 117.15 3kiy s VAL 49 Ca -0.23 -1.92 -0.11 0.00 0.00 0.00 0.00 61.98 59.72 3kiy s VAL 49 Cb 0.07 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.71 3kiy s VAL 49 CO 0.73 -0.75 0.44 -0.94 0.00 0.00 0.00 175.10 174.58 3kiy s SER 50 N -3.05 -0.53 -0.42 3.32 1.04 -1.26 -2.26 113.70 110.54 3kiy s SER 50 Ca 0.15 0.93 0.08 0.00 0.48 0.00 0.00 55.95 57.60 3kiy s SER 50 Cb 0.06 0.85 0.26 0.00 0.10 0.00 0.00 66.02 67.30 3kiy s SER 50 CO -0.03 -0.18 0.67 0.00 0.98 0.00 0.00 173.24 174.68 3kiy n ALA 51 N 3.86 1.23 -0.90 5.32 0.00 -0.96 -4.85 120.51 124.22 3kiy n ALA 51 Ca -0.20 -2.79 -0.29 0.00 0.00 0.00 0.00 53.44 50.15 3kiy n ALA 51 Cb 0.56 -0.98 0.18 0.00 0.00 0.00 0.00 19.45 19.22 3kiy n ALA 51 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3kiy s SER 52 N -1.47 2.45 0.00 0.00 0.01 -1.26 -4.31 113.70 109.13 3kiy s SER 52 Ca 0.34 1.59 0.00 0.00 1.31 0.00 0.00 55.95 59.19 3kiy s SER 52 Cb 0.21 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 64.19 3kiy s SER 52 CO -0.14 -3.30 0.00 -0.24 0.41 0.00 0.00 173.24 169.98 3kiy n SER 53 N -4.32 0.00 -0.09 2.44 2.88 -1.23 -3.91 113.62 109.38 3kiy n SER 53 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 3kiy n SER 53 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 3kiy n SER 53 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3kiy n LEU 54 N 0.00 0.08 -1.14 2.46 -0.00 -1.26 0.02 117.00 117.16 3kiy n LEU 54 Ca 0.00 -0.04 0.12 0.00 -0.00 0.00 0.00 56.01 56.08 3kiy n LEU 54 Cb 0.00 -0.04 0.22 0.00 -0.00 0.00 0.00 43.42 43.60 3kiy n LEU 54 CO 0.00 0.02 0.70 0.00 -0.00 0.00 0.00 177.39 178.11 3kiy n ALA 55 N -0.36 2.41 0.00 1.96 0.00 -1.26 -3.83 120.51 119.42 3kiy n ALA 55 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.42 3kiy n ALA 55 Cb 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3kiy n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kiy n LEU 56 N 1.47 0.00 -0.01 0.00 0.00 0.10 -4.84 117.00 113.72 3kiy n LEU 56 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 56.01 56.20 3kiy n LEU 56 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.02 3kiy n LEU 56 CO 0.15 0.00 0.00 0.29 0.00 0.00 0.00 177.39 177.83 3kiy n LYS 57 N -0.26 0.00 0.00 1.96 4.76 0.29 -5.07 118.16 119.84 3kiy n LYS 57 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3kiy n LYS 57 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3kiy n LYS 57 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3kiy n LEU 58 N -0.43 0.00 0.00 -0.35 7.94 -1.26 -4.87 117.00 118.04 3kiy n LEU 58 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3kiy n LEU 58 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3kiy n LEU 58 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.45 3kiy n LYS 59 N -0.10 0.00 -0.64 1.96 4.81 -1.26 -4.85 118.16 118.07 3kiy n LYS 59 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 3kiy n LYS 59 Cb 0.00 0.00 0.33 0.00 0.02 0.00 0.00 35.03 35.38 3kiy n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kiy n GLY 60 N 0.00 3.26 3.88 3.14 0.00 -1.26 -4.95 105.19 109.26 3kiy n GLY 60 Ca 0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 3kiy n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kiy s ASN 61 N -1.19 4.93 0.00 1.61 3.84 -1.26 -5.12 114.94 117.75 3kiy s ASN 61 Ca 0.48 -0.86 0.00 0.00 0.21 0.00 0.00 52.86 52.69 3kiy s ASN 61 Cb 0.35 -0.36 0.00 0.00 -0.55 0.00 0.00 41.25 40.70 3kiy s ASN 61 CO 0.16 -0.75 0.00 0.29 -2.79 0.00 0.00 177.10 174.00 3kiy n LYS 62 N -1.59 0.00 -0.07 0.43 4.76 -1.26 -4.25 118.16 116.18 3kiy n LYS 62 Ca 0.03 0.00 0.24 0.00 -2.87 0.00 0.00 58.31 55.70 3kiy n LYS 62 Cb 0.62 0.00 0.50 0.00 -1.84 0.00 0.00 35.03 34.31 3kiy n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3kiy h THR 63 N 0.00 0.09 0.25 -0.18 1.35 -1.95 2.00 112.91 114.47 3kiy h THR 63 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.52 3kiy h THR 63 Cb 0.00 0.19 0.04 0.00 -1.73 0.00 0.00 68.15 66.65 3kiy h THR 63 CO 0.00 0.00 -1.50 -0.33 -0.25 0.00 0.00 175.52 173.44 3kiy h GLU 64 N 0.00 0.54 0.00 4.72 3.07 -1.97 -3.19 114.58 117.74 3kiy h GLU 64 Ca 0.36 -0.92 -0.02 0.00 -0.50 0.00 0.00 59.36 58.29 3kiy h GLU 64 Cb 2.30 0.34 -0.00 0.00 -0.84 0.00 0.00 28.75 30.55 3kiy h GLU 64 CO -0.00 1.44 -0.07 0.28 -1.40 0.00 0.00 179.01 179.25 3kiy h VAL 65 N 0.15 0.17 0.59 3.13 2.07 0.28 -3.22 116.25 119.42 3kiy h VAL 65 Ca -0.26 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 3kiy h VAL 65 Cb 2.17 1.69 0.01 0.00 -1.52 0.00 0.00 31.29 33.64 3kiy h VAL 65 CO 0.27 0.07 -0.28 0.00 0.02 0.00 0.00 177.57 177.65 3kiy h ALA 66 N 1.93 -0.89 -1.23 1.67 0.00 -0.66 0.24 119.26 120.33 3kiy h ALA 66 Ca -0.00 -0.17 0.45 0.00 0.00 0.00 0.00 54.91 55.19 3kiy h ALA 66 Cb 0.68 0.31 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 3kiy h ALA 66 CO 0.01 -0.83 0.75 0.54 0.00 0.00 0.00 179.25 179.72 3kiy n ARG 67 N -4.92 -0.04 -0.07 0.00 5.12 -1.21 -1.18 116.66 114.36 3kiy n ARG 67 Ca -0.10 1.28 -0.07 0.00 -1.93 0.00 0.00 57.85 57.02 3kiy n ARG 67 Cb 0.31 -2.43 -0.05 0.00 -1.16 0.00 0.00 32.46 29.13 3kiy n ARG 67 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3kiy h GLN 68 N 0.00 0.00 0.00 5.56 4.20 -1.55 -3.32 115.11 120.00 3kiy h GLN 68 Ca 0.85 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.56 3kiy h GLN 68 Cb 2.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.37 3kiy h GLN 68 CO -0.56 0.41 0.57 -0.24 -0.67 0.00 0.00 178.83 178.34 3kiy h VAL 69 N -1.00 0.00 0.23 -0.54 3.04 1.00 -1.92 116.25 117.06 3kiy h VAL 69 Ca -0.04 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.64 3kiy h VAL 69 Cb 0.53 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 3kiy h VAL 69 CO -0.02 0.00 -0.11 1.23 -1.01 0.00 0.00 177.57 177.65 3kiy h GLY 70 N 0.00 -0.33 1.51 3.17 0.00 -1.42 -3.09 103.07 102.90 3kiy h GLY 70 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3kiy h GLY 70 CO 0.00 -0.12 0.07 0.54 0.00 0.00 0.00 176.54 177.03 3kiy n ARG 71 N -3.98 0.00 -0.05 4.80 1.74 -0.74 -1.07 116.66 117.36 3kiy n ARG 71 Ca -0.04 0.34 -0.08 0.00 -0.77 0.00 0.00 57.85 57.30 3kiy n ARG 71 Cb 0.12 -1.57 -0.08 0.00 -1.02 0.00 0.00 32.46 29.91 3kiy n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kiy h ALA 72 N 1.65 -0.01 -0.13 7.54 0.00 -1.51 -1.62 119.26 125.18 3kiy h ALA 72 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3kiy h ALA 72 Cb 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kiy h ALA 72 CO 0.00 -0.02 0.01 1.25 0.00 0.00 0.00 179.25 180.49 3kiy h LEU 73 N -0.99 0.23 -0.69 0.00 6.46 -1.17 -2.95 115.31 116.20 3kiy h LEU 73 Ca -0.00 -0.30 0.14 0.00 -0.12 0.00 0.00 57.88 57.61 3kiy h LEU 73 Cb 0.59 -0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 40.35 3kiy h LEU 73 CO 0.00 0.47 0.14 0.00 -0.62 0.00 0.00 178.44 178.43 3kiy h ALA 74 N 0.77 0.84 0.36 1.25 0.00 -1.23 0.16 119.26 121.41 3kiy h ALA 74 Ca 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kiy h ALA 74 Cb 0.35 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kiy h ALA 74 CO 0.01 -0.33 -0.30 1.49 0.00 0.00 0.00 179.25 180.11 3kiy h GLU 75 N 0.25 -0.62 -0.82 0.00 4.81 -1.14 0.14 114.58 117.21 3kiy h GLU 75 Ca 0.38 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.87 3kiy h GLU 75 Cb 0.62 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 3kiy h GLU 75 CO -0.49 -0.41 0.58 0.87 -0.73 0.00 0.00 179.01 178.83 3kiy h LYS 76 N -0.64 0.10 0.00 1.92 1.57 -1.31 -2.39 116.57 115.81 3kiy h LYS 76 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kiy h LYS 76 Cb 0.54 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3kiy h LYS 76 CO -0.01 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 3kiy n ALA 77 N -2.65 -0.29 -0.57 3.86 0.00 0.53 -2.84 120.51 118.55 3kiy n ALA 77 Ca 0.17 0.00 0.47 0.00 0.00 0.00 0.00 53.44 54.08 3kiy n ALA 77 Cb 0.82 0.00 0.77 0.00 0.00 0.00 0.00 19.45 21.04 3kiy n ALA 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kiy h LEU 78 N 0.00 0.00 -0.35 0.00 3.38 -0.47 0.65 115.31 118.52 3kiy h LEU 78 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3kiy h LEU 78 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kiy h LEU 78 CO 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.47 3kiy h ALA 79 N 1.03 0.48 0.00 1.53 0.00 -1.42 -3.02 119.26 117.86 3kiy h ALA 79 Ca 0.81 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3kiy h ALA 79 Cb 3.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 21.04 3kiy h ALA 79 CO -0.01 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.83 3kiy n LEU 80 N -4.44 0.20 0.00 0.00 4.77 0.22 -4.94 117.00 112.82 3kiy n LEU 80 Ca -0.02 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3kiy n LEU 80 Cb 0.32 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3kiy n LEU 80 CO 0.41 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3kiy n GLY 81 N 1.38 3.07 0.00 -0.72 0.00 -0.96 -5.04 105.19 102.92 3kiy n GLY 81 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3kiy n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kiy n ILE 82 N 0.00 0.00 0.03 -0.61 2.08 -1.24 -4.70 119.36 114.92 3kiy n ILE 82 Ca 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.29 3kiy n ILE 82 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 38.88 3kiy n ILE 82 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 3kiy h LYS 83 N 0.00 -0.14 -6.78 0.38 3.64 -1.90 -3.33 116.57 108.44 3kiy h LYS 83 Ca 0.00 0.01 -0.67 0.00 -1.27 0.00 0.00 60.65 58.72 3kiy h LYS 83 Cb 0.00 0.03 -0.22 0.00 -0.41 0.00 0.00 32.23 31.64 3kiy h LYS 83 CO 0.00 -0.09 -0.86 1.14 -2.27 0.00 0.00 179.45 177.37 3kiy s GLN 84 N -1.94 1.38 0.00 1.90 -2.07 -1.26 -0.08 119.66 117.58 3kiy s GLN 84 Ca -0.02 -1.35 0.00 0.00 -1.82 0.00 0.00 55.36 52.17 3kiy s GLN 84 Cb 0.00 -1.83 0.00 0.00 -1.09 0.00 0.00 33.01 30.10 3kiy s GLN 84 CO 0.06 0.43 0.00 1.33 -1.32 0.00 0.00 175.29 175.79 3kiy n VAL 85 N 0.85 0.00 -5.22 3.63 0.24 -1.26 -4.88 118.33 111.69 3kiy n VAL 85 Ca -0.18 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.81 3kiy n VAL 85 Cb 0.53 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.74 3kiy n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kiy s ALA 86 N -1.21 2.21 -0.37 2.33 0.00 0.67 -4.20 121.76 121.20 3kiy s ALA 86 Ca 0.00 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.71 3kiy s ALA 86 Cb 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.39 3kiy s ALA 86 CO 0.00 0.39 0.74 0.12 0.00 0.00 0.00 175.76 177.02 3kiy s PHE 87 N -0.08 3.12 0.00 0.00 5.36 -1.26 -0.29 117.98 124.82 3kiy s PHE 87 Ca -0.06 0.48 0.00 0.00 -0.96 0.00 0.00 56.93 56.39 3kiy s PHE 87 Cb -0.14 -3.34 0.00 0.00 -0.34 0.00 0.00 43.02 39.19 3kiy s PHE 87 CO 0.04 -0.72 0.00 -3.47 -1.46 0.00 0.00 175.22 169.62 3kiy n ASP 88 N 6.33 0.00 -1.33 6.13 4.64 -1.20 -4.86 116.55 126.26 3kiy n ASP 88 Ca 0.02 0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.43 3kiy n ASP 88 Cb 0.48 0.00 -0.00 0.00 -1.04 0.00 0.00 41.12 40.56 3kiy n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3kiy n ARG 89 N 0.00 -0.30 0.00 -0.67 3.00 -1.26 -4.84 116.66 112.59 3kiy n ARG 89 Ca 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 3kiy n ARG 89 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 31.45 3kiy n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kiy n GLY 90 N 0.11 -0.08 0.03 5.14 0.00 -1.26 -2.25 105.19 106.86 3kiy n GLY 90 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kiy n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kiy n PRO 91 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -4.60 135.00 130.70 3kiy n PRO 91 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3kiy n PRO 91 Cb 0.00 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 3kiy n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3kiy n TYR 92 N -0.41 0.00 -2.35 0.54 4.11 -0.96 -4.85 117.16 113.24 3kiy n TYR 92 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.84 3kiy n TYR 92 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.37 3kiy n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 3kiy n LYS 93 N -0.04 -1.73 -0.22 -3.48 3.00 -1.26 -4.72 118.16 109.70 3kiy n LYS 93 Ca 0.00 0.31 -0.05 0.00 -0.00 0.00 0.00 58.31 58.57 3kiy n LYS 93 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 35.03 31.56 3kiy n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 3kiy n TYR 94 N -2.12 0.05 -3.79 5.64 9.36 -1.26 -4.76 117.16 120.28 3kiy n TYR 94 Ca -0.07 0.03 -0.02 0.00 3.32 0.00 0.00 57.90 61.16 3kiy n TYR 94 Cb 0.55 -0.24 0.02 0.00 -0.63 0.00 0.00 39.34 39.04 3kiy n TYR 94 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 3kiy n HIS 95 N 1.26 -1.11 0.00 2.98 -0.00 -1.26 -5.07 115.22 112.02 3kiy n HIS 95 Ca 0.10 -0.92 0.00 0.00 0.46 0.00 0.00 57.72 57.36 3kiy n HIS 95 Cb 0.01 0.45 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 3kiy n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3kiy n GLY 96 N -0.55 0.22 0.32 1.57 0.00 -1.26 -2.01 105.19 103.48 3kiy n GLY 96 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kiy n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kiy n ARG 97 N 0.00 0.00 -1.60 1.61 0.00 -1.26 -4.85 116.66 110.55 3kiy n ARG 97 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 57.85 57.23 3kiy n ARG 97 Cb 0.00 -1.00 -0.09 0.00 -0.00 0.00 0.00 32.46 31.37 3kiy n ARG 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3kiy n VAL 98 N 0.14 0.01 -1.60 8.89 0.31 -0.85 -4.80 118.33 120.43 3kiy n VAL 98 Ca 0.00 -0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3kiy n VAL 98 Cb 0.00 -0.27 -0.02 0.00 -0.91 0.00 0.00 33.84 32.65 3kiy n VAL 98 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kiy n LYS 99 N 2.60 2.50 0.00 5.55 4.76 -1.26 -4.42 118.16 127.88 3kiy n LYS 99 Ca 0.24 -2.72 0.00 0.00 -2.87 0.00 0.00 58.31 52.96 3kiy n LYS 99 Cb 0.04 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.06 3kiy n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kiy n ALA 100 N 0.34 1.23 -1.96 7.82 0.00 -1.26 -4.81 120.51 121.86 3kiy n ALA 100 Ca 0.50 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.62 3kiy n ALA 100 Cb 0.45 -2.09 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 3kiy n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3kiy s LEU 101 N 0.00 3.76 0.00 0.00 0.05 -1.26 -5.09 118.68 116.13 3kiy s LEU 101 Ca 0.00 1.44 0.00 0.00 0.05 0.00 0.00 54.13 55.62 3kiy s LEU 101 Cb 0.00 -4.34 0.00 0.00 -2.05 0.00 0.00 46.19 39.80 3kiy s LEU 101 CO 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 176.35 175.33 3kiy n ALA 102 N -1.28 0.00 -0.89 1.48 0.00 -1.26 -4.85 120.51 113.70 3kiy n ALA 102 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3kiy n ALA 102 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3kiy n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kiy n GLU 103 N 0.00 0.00 -0.96 0.00 -0.58 -1.26 -4.84 120.64 113.00 3kiy n GLU 103 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 3kiy n GLU 103 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 3kiy n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kiy n GLY 104 N 0.00 -0.99 1.96 0.62 0.00 -1.26 -4.82 105.19 100.70 3kiy n GLY 104 Ca 0.00 0.28 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 3kiy n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy n ALA 105 N 0.20 5.30 0.96 4.61 0.00 0.88 -4.32 120.51 128.14 3kiy n ALA 105 Ca 0.12 -1.98 0.06 0.00 0.00 0.00 0.00 53.44 51.65 3kiy n ALA 105 Cb 0.15 -1.44 0.36 0.00 0.00 0.00 0.00 19.45 18.52 3kiy n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kiy n ARG 106 N 0.09 0.48 -1.60 0.00 0.00 -1.26 -4.33 116.66 110.04 3kiy n ARG 106 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.21 3kiy n ARG 106 Cb 0.61 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.68 3kiy n ARG 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3kiy n GLU 107 N -0.89 -4.07 -0.15 -0.14 4.07 -1.26 -4.79 120.64 113.40 3kiy n GLU 107 Ca 0.09 3.07 0.00 0.00 -0.06 0.00 0.00 57.16 60.26 3kiy n GLU 107 Cb 0.04 -3.63 0.00 0.00 -0.06 0.00 0.00 31.44 27.80 3kiy n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48