#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr n GLY 7 N 0.00 0.84 0.00 -0.02 0.00 -1.26 -4.66 105.19 100.09 3kcr n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kcr n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kcr n SER 8 N 0.00 0.00 -0.16 1.61 7.64 -1.26 -4.83 113.62 116.62 3kcr n SER 8 Ca 0.00 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 59.00 3kcr n SER 8 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3kcr n SER 8 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3kcr n THR 9 N 0.00 0.00 -2.78 0.44 5.66 -1.26 -5.07 114.28 111.27 3kcr n THR 9 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 3kcr n THR 9 Cb 0.25 0.31 -0.03 0.00 -1.55 0.00 0.00 70.33 69.31 3kcr n THR 9 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3kcr s ARG 10 N 0.00 3.25 -0.25 1.09 3.52 -1.26 -4.95 118.95 120.36 3kcr s ARG 10 Ca 0.00 -0.90 -0.29 0.00 -0.13 0.00 0.00 55.73 54.41 3kcr s ARG 10 Cb 0.00 -4.44 -0.06 0.00 -1.56 0.00 0.00 34.95 28.89 3kcr s ARG 10 CO 0.00 -1.91 2.23 0.09 -0.81 0.00 0.00 175.30 174.90 3kcr n ASN 11 N 7.96 3.06 -3.08 -2.12 3.02 -1.26 -4.78 115.26 118.06 3kcr n ASN 11 Ca 0.06 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 3kcr n ASN 11 Cb 0.47 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 3kcr n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kcr n GLY 12 N 5.90 -1.40 3.32 7.41 0.00 -1.26 -5.06 105.19 114.11 3kcr n GLY 12 Ca 0.32 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 3kcr n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcr s ARG 13 N -0.44 2.88 0.00 1.61 1.81 -1.26 -4.93 118.95 118.63 3kcr s ARG 13 Ca 0.00 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.21 3kcr s ARG 13 Cb 0.00 -2.36 0.00 0.00 -0.45 0.00 0.00 34.95 32.14 3kcr s ARG 13 CO 0.00 0.33 0.00 -0.25 -0.68 0.00 0.00 175.30 174.70 3kcr n ASP 14 N 3.12 0.00 0.00 0.23 9.92 -1.26 -5.16 116.55 123.40 3kcr n ASP 14 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 3kcr n ASP 14 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 3kcr n ASP 14 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3kcr n SER 15 N 0.00 -1.70 -3.40 -2.24 7.64 -1.26 -5.03 113.62 107.63 3kcr n SER 15 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 3kcr n SER 15 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 3kcr n SER 15 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3kcr s GLU 16 N 0.00 1.80 0.00 1.43 0.41 -1.26 -4.97 118.70 116.11 3kcr s GLU 16 Ca 0.00 -2.06 0.00 0.00 -0.41 0.00 0.00 54.97 52.50 3kcr s GLU 16 Cb 0.00 0.23 0.00 0.00 -1.78 0.00 0.00 34.13 32.58 3kcr s GLU 16 CO 0.00 -0.65 0.00 0.00 -0.49 0.00 0.00 175.26 174.12 3kcr n ALA 17 N -0.67 0.00 -2.55 5.21 0.00 -1.26 -5.10 120.51 116.14 3kcr n ALA 17 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.18 3kcr n ALA 17 Cb 0.62 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.96 3kcr n ALA 17 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kcr s LYS 18 N -0.12 2.55 1.04 0.00 -0.14 -1.26 -4.83 119.74 116.98 3kcr s LYS 18 Ca 0.00 -0.69 -0.24 0.00 -1.36 0.00 0.00 55.97 53.68 3kcr s LYS 18 Cb 0.00 -2.47 -0.08 0.00 -1.68 0.00 0.00 37.83 33.60 3kcr s LYS 18 CO 0.00 0.62 -0.93 2.89 -0.76 0.00 0.00 175.35 177.17 3kcr n ARG 19 N 1.90 -0.58 0.00 1.68 -4.01 -1.26 -5.06 116.66 109.33 3kcr n ARG 19 Ca -0.17 -0.16 0.00 0.00 -1.04 0.00 0.00 57.85 56.48 3kcr n ARG 19 Cb 0.53 -1.27 0.00 0.00 -3.04 0.00 0.00 32.46 28.68 3kcr n ARG 19 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 3kcr n LEU 20 N 1.55 0.00 0.00 2.89 7.99 -1.26 -5.16 117.00 123.01 3kcr n LEU 20 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 3kcr n LEU 20 Cb 0.70 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.01 3kcr n LEU 20 CO 0.47 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.96 3kcr n GLY 21 N 0.00 2.71 3.33 -0.72 0.00 -1.26 -5.17 105.19 104.08 3kcr n GLY 21 Ca 0.00 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 3kcr n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kcr s VAL 22 N -2.94 0.00 0.00 1.61 -7.23 -1.26 -5.13 120.40 105.46 3kcr s VAL 22 Ca 0.00 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 3kcr s VAL 22 Cb 0.00 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.46 3kcr s VAL 22 CO 0.00 0.00 0.00 1.17 -0.31 0.00 0.00 175.10 175.96 3kcr n LYS 23 N -0.42 0.00 0.00 4.82 0.00 -1.26 -5.14 118.16 116.16 3kcr n LYS 23 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 3kcr n LYS 23 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 3kcr n LYS 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3kcr n ARG 24 N 1.32 0.00 -4.09 1.64 0.63 -1.26 -4.99 116.66 109.90 3kcr n ARG 24 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 3kcr n ARG 24 Cb 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 3kcr n ARG 24 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3kcr s PHE 25 N 0.00 0.75 0.00 -0.14 0.08 -1.26 -4.82 117.98 112.59 3kcr s PHE 25 Ca 0.00 -1.09 0.00 0.00 0.12 0.00 0.00 56.93 55.96 3kcr s PHE 25 Cb 0.00 -0.32 0.00 0.00 -0.57 0.00 0.00 43.02 42.13 3kcr s PHE 25 CO 0.00 -0.64 0.00 0.41 -0.10 0.00 0.00 175.22 174.89 3kcr n GLY 26 N -0.19 4.43 0.01 4.36 0.00 -1.26 -2.97 105.19 109.57 3kcr n GLY 26 Ca -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3kcr n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 27 N 5.00 -0.12 3.77 -0.02 0.00 -1.26 -2.02 105.19 110.53 3kcr n GLY 27 Ca 0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3kcr n GLY 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kcr s GLU 28 N -2.13 3.32 0.08 1.61 -1.05 -1.26 -4.88 118.70 114.39 3kcr s GLU 28 Ca -0.01 1.70 -0.26 0.00 -0.15 0.00 0.00 54.97 56.25 3kcr s GLU 28 Cb 0.01 -2.05 -0.16 0.00 -0.44 0.00 0.00 34.13 31.49 3kcr s GLU 28 CO 0.11 -0.89 1.68 0.77 0.95 0.00 0.00 175.26 177.87 3kcr h SER 29 N 1.26 -0.20 -4.09 0.83 0.02 -1.87 -3.43 113.55 106.07 3kcr h SER 29 Ca -0.50 -0.02 -0.55 0.00 -0.84 0.00 0.00 61.79 59.88 3kcr h SER 29 Cb 1.27 0.05 0.15 0.00 0.14 0.00 0.00 62.40 64.01 3kcr h SER 29 CO 0.57 -0.12 0.55 0.54 -1.14 0.00 0.00 176.83 177.24 3kcr s VAL 30 N -6.03 2.05 -0.08 2.27 0.11 -1.25 -4.40 120.40 113.08 3kcr s VAL 30 Ca -0.14 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 3kcr s VAL 30 Cb 0.05 -3.02 -0.03 0.00 -1.53 0.00 0.00 36.38 31.86 3kcr s VAL 30 CO 0.65 -0.00 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.56 3kcr s LEU 31 N -4.04 3.03 -0.02 2.54 1.43 0.27 -4.99 118.68 116.92 3kcr s LEU 31 Ca 0.78 -0.10 0.15 0.00 -1.03 0.00 0.00 54.13 53.93 3kcr s LEU 31 Cb -0.39 -1.66 -0.22 0.00 0.03 0.00 0.00 46.19 43.96 3kcr s LEU 31 CO 0.43 0.32 0.39 0.00 0.23 0.00 0.00 176.35 177.72 3kcr n ALA 32 N 2.50 2.85 0.20 4.21 0.00 -1.26 -4.36 120.51 124.65 3kcr n ALA 32 Ca -0.18 -0.37 0.04 0.00 0.00 0.00 0.00 53.44 52.94 3kcr n ALA 32 Cb 0.53 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 3kcr n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 33 N 1.58 -0.07 3.55 0.00 0.00 -1.26 -4.86 105.19 104.13 3kcr n GLY 33 Ca -0.02 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3kcr n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kcr s SER 34 N -2.35 5.62 0.00 1.61 0.01 -1.26 -4.86 113.70 112.46 3kcr s SER 34 Ca 0.00 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.20 3kcr s SER 34 Cb 0.06 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.27 3kcr s SER 34 CO 0.34 -0.00 0.35 2.30 0.41 0.00 0.00 173.24 176.64 3kcr n ILE 35 N 4.71 0.00 -4.77 1.44 -5.35 -1.26 -3.68 119.36 110.45 3kcr n ILE 35 Ca -0.15 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.00 3kcr n ILE 35 Cb 0.52 0.00 -0.13 0.00 -1.74 0.00 0.00 39.64 38.28 3kcr n ILE 35 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3kcr s ILE 36 N 0.00 3.20 0.53 7.28 1.09 -1.26 -4.59 121.20 127.45 3kcr s ILE 36 Ca 0.00 -0.64 0.03 0.00 -1.10 0.00 0.00 60.65 58.94 3kcr s ILE 36 Cb 0.00 -2.31 0.01 0.00 -1.06 0.00 0.00 42.46 39.10 3kcr s ILE 36 CO 0.00 0.55 0.18 0.68 -0.10 0.00 0.00 174.94 176.25 3kcr s VAL 37 N -0.16 1.32 0.00 2.92 -7.23 -1.26 -3.27 120.40 112.71 3kcr s VAL 37 Ca 0.00 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 3kcr s VAL 37 Cb -0.13 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3kcr s VAL 37 CO 0.03 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.36 3kcr n ARG 38 N -1.50 0.00 -2.99 4.82 1.74 -0.99 -4.92 116.66 112.82 3kcr n ARG 38 Ca -0.12 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.53 3kcr n ARG 38 Cb 0.66 -2.22 -0.05 0.00 -1.02 0.00 0.00 32.46 29.82 3kcr n ARG 38 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3kcr s GLN 39 N -0.02 3.69 0.00 5.56 -0.21 -1.26 -4.42 119.66 123.00 3kcr s GLN 39 Ca 0.00 0.20 0.08 0.00 0.02 0.00 0.00 55.36 55.66 3kcr s GLN 39 Cb 0.00 -3.83 0.14 0.00 1.00 0.00 0.00 33.01 30.32 3kcr s GLN 39 CO 0.00 -0.86 1.03 0.54 -2.12 0.00 0.00 175.29 173.88 3kcr n ARG 40 N 6.38 0.00 0.00 2.91 1.74 -1.26 -4.74 116.66 121.69 3kcr n ARG 40 Ca 0.02 -1.28 0.00 0.00 -0.77 0.00 0.00 57.85 55.82 3kcr n ARG 40 Cb 0.48 -0.30 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 3kcr n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kcr n GLY 41 N 0.16 0.00 0.18 -0.13 0.00 -1.26 -4.92 105.19 99.22 3kcr n GLY 41 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 3kcr n GLY 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kcr h THR 42 N 0.00 0.00 -3.42 2.61 2.02 -1.85 -3.44 112.91 108.83 3kcr h THR 42 Ca 0.00 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 3kcr h THR 42 Cb 0.00 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 67.81 3kcr h THR 42 CO 0.00 0.00 0.03 -0.75 0.37 0.00 0.00 175.52 175.17 3kcr s LYS 43 N -3.32 1.77 0.60 6.66 2.36 -1.26 -5.04 119.74 121.52 3kcr s LYS 43 Ca 0.06 -1.27 -0.01 0.00 -2.55 0.00 0.00 55.97 52.20 3kcr s LYS 43 Cb 0.09 0.53 0.05 0.00 -1.05 0.00 0.00 37.83 37.45 3kcr s LYS 43 CO 0.54 -0.78 0.85 -0.06 1.55 0.00 0.00 175.35 177.46 3kcr s PHE 44 N -3.60 2.77 0.04 4.03 0.40 -1.26 -4.70 117.98 115.66 3kcr s PHE 44 Ca 0.19 0.08 -0.17 0.00 -0.60 0.00 0.00 56.93 56.43 3kcr s PHE 44 Cb -0.03 -2.89 0.03 0.00 0.51 0.00 0.00 43.02 40.65 3kcr s PHE 44 CO 0.10 -1.08 0.38 -1.01 0.70 0.00 0.00 175.22 174.32 3kcr s HIS 45 N -2.91 -0.23 0.20 0.36 3.76 -1.26 -3.40 115.29 111.81 3kcr s HIS 45 Ca 0.59 0.18 -0.18 0.00 -0.15 0.00 0.00 55.06 55.49 3kcr s HIS 45 Cb -0.10 0.18 0.03 0.00 1.11 0.00 0.00 32.58 33.80 3kcr s HIS 45 CO 0.40 -0.55 0.54 0.00 -0.85 0.00 0.00 174.74 174.29 3kcr s ALA 46 N -2.41 -0.99 0.00 -1.40 0.00 -1.26 -4.57 121.76 111.13 3kcr s ALA 46 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.72 3kcr s ALA 46 Cb -0.01 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.97 3kcr s ALA 46 CO -0.02 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.33 3kcr n GLY 47 N -0.35 1.63 3.33 0.00 0.00 -1.26 -2.32 105.19 106.22 3kcr n GLY 47 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 3kcr n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr n ALA 48 N -0.39 -2.43 -3.65 4.61 0.00 -1.26 -4.63 120.51 112.76 3kcr n ALA 48 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 3kcr n ALA 48 Cb 0.00 -5.12 -0.12 0.00 0.00 0.00 0.00 19.45 14.21 3kcr n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kcr s ASN 49 N -3.54 -0.39 0.00 0.00 2.20 -1.26 -4.03 114.94 107.92 3kcr s ASN 49 Ca 0.40 0.71 0.12 0.00 -0.94 0.00 0.00 52.86 53.15 3kcr s ASN 49 Cb -0.06 0.61 0.20 0.00 -2.00 0.00 0.00 41.25 40.00 3kcr s ASN 49 CO 0.76 -0.17 1.04 1.33 -2.94 0.00 0.00 177.10 177.12 3kcr n VAL 50 N 4.09 0.00 1.70 3.54 0.24 -1.26 -4.63 118.33 122.01 3kcr n VAL 50 Ca -0.23 -0.47 0.15 0.00 -2.04 0.00 0.00 64.34 61.75 3kcr n VAL 50 Cb 0.55 0.70 0.85 0.00 -1.47 0.00 0.00 33.84 34.47 3kcr n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kcr n GLY 51 N 0.24 -1.15 1.10 7.63 0.00 -1.26 -4.72 105.19 107.03 3kcr n GLY 51 Ca -0.07 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 3kcr n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr n GLY 53 N 1.12 -0.36 0.00 0.00 0.00 0.33 -4.77 105.19 101.50 3kcr n GLY 53 Ca 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3kcr n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kcr n ARG 54 N 0.00 2.28 0.14 1.61 1.85 -1.26 -4.60 116.66 116.68 3kcr n ARG 54 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.94 3kcr n ARG 54 Cb 0.00 -0.19 0.06 0.00 -1.05 0.00 0.00 32.46 31.28 3kcr n ARG 54 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 3kcr h ASP 55 N 0.00 0.00 0.00 2.89 3.04 -1.97 -3.47 116.42 116.91 3kcr h ASP 55 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3kcr h ASP 55 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3kcr h ASP 55 CO 0.00 0.13 0.00 1.41 -2.04 0.00 0.00 179.24 178.74 3kcr n HIS 56 N -2.93 0.00 -1.68 4.15 8.25 -1.26 -2.36 115.22 119.39 3kcr n HIS 56 Ca 0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 3kcr n HIS 56 Cb 0.60 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 3kcr n HIS 56 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3kcr n THR 57 N -0.50 1.12 -3.39 1.59 -1.04 -1.20 -4.29 114.28 106.57 3kcr n THR 57 Ca 0.00 -0.28 -0.44 0.00 -2.04 0.00 0.00 64.05 61.29 3kcr n THR 57 Cb 0.00 -1.52 -0.07 0.00 -1.82 0.00 0.00 70.33 66.91 3kcr n THR 57 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3kcr s LEU 58 N -0.11 5.70 -0.14 -4.42 2.96 -1.24 -0.51 118.68 120.91 3kcr s LEU 58 Ca 0.66 -1.44 -0.27 0.00 -0.22 0.00 0.00 54.13 52.86 3kcr s LEU 58 Cb -0.63 -2.17 -0.25 0.00 0.50 0.00 0.00 46.19 43.64 3kcr s LEU 58 CO 0.51 -0.68 0.67 0.15 -1.32 0.00 0.00 176.35 175.69 3kcr h PHE 59 N 8.75 0.06 -2.73 5.38 3.04 -1.81 -3.37 116.94 126.26 3kcr h PHE 59 Ca -0.28 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.63 3kcr h PHE 59 Cb 1.11 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.61 3kcr h PHE 59 CO 0.65 1.13 -0.64 0.00 -2.02 0.00 0.00 178.31 177.43 3kcr n ALA 60 N -2.77 -2.23 -0.03 2.41 0.00 -1.26 -0.56 120.51 116.06 3kcr n ALA 60 Ca -0.15 0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.48 3kcr n ALA 60 Cb 0.56 -1.14 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 3kcr n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kcr h LYS 61 N 1.84 0.19 -7.43 0.00 1.57 -1.82 -3.35 116.57 107.57 3kcr h LYS 61 Ca 0.00 -0.12 -0.47 0.00 -1.87 0.00 0.00 60.65 58.19 3kcr h LYS 61 Cb 0.00 0.01 0.08 0.00 0.08 0.00 0.00 32.23 32.41 3kcr h LYS 61 CO 0.00 0.70 0.33 0.00 -0.57 0.00 0.00 179.45 179.92 3kcr s ALA 62 N -3.97 2.93 0.08 3.86 0.00 -1.26 -4.57 121.76 118.83 3kcr s ALA 62 Ca -0.15 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 50.89 3kcr s ALA 62 Cb 0.03 -2.83 0.08 0.00 0.00 0.00 0.00 23.12 20.40 3kcr s ALA 62 CO 0.72 -1.34 0.71 0.16 0.00 0.00 0.00 175.76 176.02 3kcr s ASP 63 N -4.48 -0.50 0.00 0.00 1.47 -1.26 -4.87 116.67 107.03 3kcr s ASP 63 Ca 0.60 0.06 0.00 0.00 1.18 0.00 0.00 52.55 54.38 3kcr s ASP 63 Cb -0.11 0.52 0.00 0.00 -0.34 0.00 0.00 42.92 42.99 3kcr s ASP 63 CO 0.48 -0.81 0.00 0.61 0.68 0.00 0.00 175.17 176.13 3kcr n GLY 64 N -0.22 3.83 2.17 2.12 0.00 -0.86 -1.99 105.19 110.24 3kcr n GLY 64 Ca -0.14 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 3kcr n GLY 64 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kcr n LYS 65 N -1.36 0.00 -3.83 1.61 -0.00 -1.16 -3.97 118.16 109.45 3kcr n LYS 65 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 3kcr n LYS 65 Cb 0.00 -0.71 -0.12 0.00 -0.00 0.00 0.00 35.03 34.20 3kcr n LYS 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3kcr s VAL 66 N -1.42 0.02 0.00 0.58 -7.23 -1.26 -1.91 120.40 109.17 3kcr s VAL 66 Ca 0.31 -0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 3kcr s VAL 66 Cb -0.17 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.52 3kcr s VAL 66 CO 0.57 -0.07 0.00 0.29 -0.31 0.00 0.00 175.10 175.58 3kcr n LYS 67 N 2.73 0.00 -2.02 4.82 4.76 -1.26 -4.52 118.16 122.68 3kcr n LYS 67 Ca -0.14 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.29 3kcr n LYS 67 Cb 0.58 -0.13 -0.01 0.00 -1.84 0.00 0.00 35.03 33.64 3kcr n LYS 67 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3kcr n PHE 68 N 0.00 -3.32 -3.82 2.13 3.72 -1.21 -5.05 117.46 109.91 3kcr n PHE 68 Ca 0.00 1.97 -0.12 0.00 -0.05 0.00 0.00 57.45 59.24 3kcr n PHE 68 Cb 0.07 -3.27 -0.13 0.00 -0.94 0.00 0.00 39.48 35.21 3kcr n PHE 68 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kcr s GLU 69 N -0.97 0.16 0.32 -1.08 8.01 -0.09 -4.99 118.70 120.06 3kcr s GLU 69 Ca -0.05 0.21 0.03 0.00 0.01 0.00 0.00 54.97 55.18 3kcr s GLU 69 Cb 0.00 0.06 -0.02 0.00 -4.31 0.00 0.00 34.13 29.86 3kcr s GLU 69 CO 0.14 -0.03 0.48 0.54 0.01 0.00 0.00 175.26 176.40 3kcr s VAL 70 N 0.16 4.77 0.00 2.63 0.11 -1.25 -3.48 120.40 123.34 3kcr s VAL 70 Ca -0.01 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 3kcr s VAL 70 Cb -0.02 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 3kcr s VAL 70 CO -0.00 -0.35 0.00 2.29 -3.33 0.00 0.00 175.10 173.70 3kcr n LYS 71 N -1.66 0.00 0.00 1.54 2.85 -1.26 -4.98 118.16 114.65 3kcr n LYS 71 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 3kcr n LYS 71 Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 3kcr n LYS 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kcr n GLY 72 N 0.00 3.64 3.16 2.58 0.00 -1.26 -5.08 105.19 108.23 3kcr n GLY 72 Ca 0.00 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 3kcr n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kcr n PRO 73 N 0.00 -0.01 -1.69 1.61 -0.02 -1.26 -4.89 135.00 128.75 3kcr n PRO 73 Ca 0.00 0.01 -0.44 0.00 -2.02 0.00 0.00 63.50 61.05 3kcr n PRO 73 Cb 0.00 -1.21 -0.02 0.00 -0.02 0.00 0.00 33.50 32.24 3kcr n PRO 73 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kcr n LYS 74 N 1.36 2.18 -0.77 -0.52 5.02 -1.26 -3.94 118.16 120.22 3kcr n LYS 74 Ca 0.03 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 3kcr n LYS 74 Cb 0.53 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 3kcr n LYS 74 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kcr n ASN 75 N 2.22 -1.02 -2.58 4.39 4.13 -1.26 -5.14 115.26 115.99 3kcr n ASN 75 Ca 0.11 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.31 3kcr n ASN 75 Cb 0.32 -0.38 0.02 0.00 -1.54 0.00 0.00 39.78 38.21 3kcr n ASN 75 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3kcr n ARG 76 N -0.64 0.86 0.00 3.52 0.63 -1.25 -5.06 116.66 114.72 3kcr n ARG 76 Ca 0.00 -1.73 0.00 0.00 -0.92 0.00 0.00 57.85 55.20 3kcr n ARG 76 Cb 0.26 2.18 0.00 0.00 0.45 0.00 0.00 32.46 35.35 3kcr n ARG 76 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3kcr n LYS 77 N -0.48 0.00 0.00 -0.14 4.81 -1.26 -4.47 118.16 116.61 3kcr n LYS 77 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3kcr n LYS 77 Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 3kcr n LYS 77 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3kcr n PHE 78 N 0.00 0.00 0.00 5.64 3.72 -1.23 -0.91 117.46 124.69 3kcr n PHE 78 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3kcr n PHE 78 Cb 0.14 0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 3kcr n PHE 78 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3kcr n ILE 79 N 0.00 0.00 -2.68 4.37 -5.35 -1.22 -4.36 119.36 110.13 3kcr n ILE 79 Ca 0.00 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.43 3kcr n ILE 79 Cb 0.00 -0.13 0.01 0.00 -1.74 0.00 0.00 39.64 37.78 3kcr n ILE 79 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3kcr n SER 80 N -0.97 -7.38 -4.76 7.28 7.64 -0.98 -3.36 113.62 111.09 3kcr n SER 80 Ca 0.00 0.71 -0.40 0.00 1.01 0.00 0.00 58.87 60.20 3kcr n SER 80 Cb 0.07 -4.94 -0.06 0.00 -1.01 0.00 0.00 64.21 58.27 3kcr n SER 80 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kcr s ILE 81 N -2.17 4.31 -0.17 0.44 1.01 -1.09 -4.05 121.20 119.48 3kcr s ILE 81 Ca 0.16 1.84 -0.02 0.00 0.00 0.00 0.00 60.65 62.63 3kcr s ILE 81 Cb -0.05 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.20 3kcr s ILE 81 CO 0.70 0.49 -0.08 -1.61 0.00 0.00 0.00 174.94 174.43 3kcr s GLU 82 N -1.00 3.43 0.24 2.79 8.01 -0.80 -4.26 118.70 127.11 3kcr s GLU 82 Ca 0.38 -0.64 -0.31 0.00 0.01 0.00 0.00 54.97 54.42 3kcr s GLU 82 Cb -0.24 -2.81 -0.12 0.00 -4.31 0.00 0.00 34.13 26.65 3kcr s GLU 82 CO 0.28 0.07 1.66 0.00 0.01 0.00 0.00 175.26 177.28 3kcr s ALA 83 N 0.76 3.85 -1.80 5.21 0.00 -1.26 -3.55 121.76 124.97 3kcr s ALA 83 Ca -0.04 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3kcr s ALA 83 Cb -0.15 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3kcr s ALA 83 CO 0.02 -0.94 0.45 -1.91 0.00 0.00 0.00 175.76 173.38