#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr n ILE 2 N 0.00 0.00 -3.84 2.02 -0.00 -1.26 -5.11 119.36 111.17 3kcr n ILE 2 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.66 3kcr n ILE 2 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 39.65 3kcr n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3kcr s ARG 3 N -0.95 2.18 0.00 0.38 1.70 -1.26 -5.18 118.95 115.84 3kcr s ARG 3 Ca 0.00 -1.46 0.01 0.00 -0.47 0.00 0.00 55.73 53.81 3kcr s ARG 3 Cb 0.00 0.61 -0.00 0.00 -0.57 0.00 0.00 34.95 34.98 3kcr s ARG 3 CO 0.00 -1.01 -0.02 -1.21 -1.08 0.00 0.00 175.30 171.98 3kcr s GLU 4 N -2.46 0.19 0.26 3.89 0.41 -1.26 -4.98 118.70 114.75 3kcr s GLU 4 Ca 0.17 -0.14 0.24 0.00 -0.41 0.00 0.00 54.97 54.83 3kcr s GLU 4 Cb -0.05 -0.14 0.95 0.00 -1.78 0.00 0.00 34.13 33.11 3kcr s GLU 4 CO 0.12 0.04 1.73 -0.85 -0.49 0.00 0.00 175.26 175.81 3kcr n GLU 5 N 2.85 0.22 0.04 1.61 0.28 -1.26 -3.02 120.64 121.35 3kcr n GLU 5 Ca -0.14 0.38 0.10 0.00 -0.16 0.00 0.00 57.16 57.34 3kcr n GLU 5 Cb 0.59 -1.87 0.54 0.00 1.43 0.00 0.00 31.44 32.13 3kcr n GLU 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kcr h ARG 6 N 0.00 0.27 -1.37 3.44 3.08 -1.97 0.11 114.38 117.94 3kcr h ARG 6 Ca 0.00 -0.02 -0.61 0.00 0.07 0.00 0.00 59.98 59.42 3kcr h ARG 6 Cb 0.46 -0.06 -0.39 0.00 0.08 0.00 0.00 29.97 30.05 3kcr h ARG 6 CO 0.00 0.18 -0.41 1.28 -1.07 0.00 0.00 179.97 179.95 3kcr n LEU 7 N -4.48 5.33 -0.47 3.04 4.77 -1.17 -3.67 117.00 120.36 3kcr n LEU 7 Ca 0.05 -5.00 0.05 0.00 -0.03 0.00 0.00 56.01 51.07 3kcr n LEU 7 Cb 0.24 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 3kcr n LEU 7 CO 0.35 2.10 0.35 0.18 -1.33 0.00 0.00 177.39 179.04 3kcr n LEU 8 N -0.57 1.21 -1.84 2.23 4.77 0.37 -4.64 117.00 118.53 3kcr n LEU 8 Ca 0.44 -2.13 -0.07 0.00 -0.03 0.00 0.00 56.01 54.22 3kcr n LEU 8 Cb 0.67 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.63 3kcr n LEU 8 CO 0.40 0.55 0.15 0.29 -1.33 0.00 0.00 177.39 177.45 3kcr n LYS 9 N -0.56 2.09 0.03 3.23 5.02 -1.15 -4.85 118.16 121.96 3kcr n LYS 9 Ca 0.08 -3.45 0.11 0.00 -2.02 0.00 0.00 58.31 53.03 3kcr n LYS 9 Cb 0.73 -1.59 0.05 0.00 -0.02 0.00 0.00 35.03 34.20 3kcr n LYS 9 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3kcr n VAL 10 N -0.57 0.20 -1.97 -0.18 0.24 -1.26 -4.92 118.33 109.87 3kcr n VAL 10 Ca 0.23 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 3kcr n VAL 10 Cb 0.89 0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 33.39 3kcr n VAL 10 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3kcr s LEU 11 N -3.97 4.35 0.00 1.34 0.20 -1.26 -3.17 118.68 116.16 3kcr s LEU 11 Ca 0.04 2.38 0.00 0.00 0.69 0.00 0.00 54.13 57.24 3kcr s LEU 11 Cb 0.14 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.35 3kcr s LEU 11 CO 0.79 -0.89 0.00 0.54 -0.29 0.00 0.00 176.35 176.50 3kcr n ARG 12 N 6.17 2.01 0.00 1.98 1.74 -1.10 -4.99 116.66 122.46 3kcr n ARG 12 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3kcr n ARG 12 Cb 0.42 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 3kcr n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kcr n ALA 13 N -1.17 0.00 -2.19 7.54 0.00 -1.22 -4.97 120.51 118.51 3kcr n ALA 13 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3kcr n ALA 13 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.48 3kcr n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kcr s PRO 14 N -1.56 4.60 1.04 0.00 0.04 -1.26 -1.41 135.00 136.45 3kcr s PRO 14 Ca 0.00 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.15 3kcr s PRO 14 Cb 0.00 -3.33 0.22 0.00 0.04 0.00 0.00 34.50 31.43 3kcr s PRO 14 CO 0.00 0.37 1.07 -1.01 0.04 0.00 0.00 177.00 177.47 3kcr s HIS 15 N -0.45 1.65 0.39 0.56 3.76 -1.03 -4.91 115.29 115.27 3kcr s HIS 15 Ca 0.40 1.33 -0.13 0.00 -0.15 0.00 0.00 55.06 56.51 3kcr s HIS 15 Cb -0.22 -3.18 0.05 0.00 1.11 0.00 0.00 32.58 30.34 3kcr s HIS 15 CO 0.26 -3.28 0.75 1.33 -0.85 0.00 0.00 174.74 172.95 3kcr n VAL 16 N -4.52 0.00 -0.16 -0.90 0.24 -1.26 -4.93 118.33 106.81 3kcr n VAL 16 Ca 0.06 -1.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.27 3kcr n VAL 16 Cb 0.54 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 3kcr n VAL 16 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3kcr n SER 17 N -1.54 -0.97 0.00 -1.34 7.64 -1.26 -4.93 113.62 111.23 3kcr n SER 17 Ca -0.08 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3kcr n SER 17 Cb 0.59 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 3kcr n SER 17 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3kcr n GLU 18 N -1.52 0.00 -1.75 1.43 0.28 -1.26 -4.57 120.64 113.24 3kcr n GLU 18 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 3kcr n GLU 18 Cb 0.04 0.00 0.04 0.00 1.43 0.00 0.00 31.44 32.95 3kcr n GLU 18 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 3kcr s LYS 19 N 0.00 3.23 -0.28 3.44 -2.85 -1.26 -4.23 119.74 117.79 3kcr s LYS 19 Ca 0.00 2.31 -0.02 0.00 -1.00 0.00 0.00 55.97 57.26 3kcr s LYS 19 Cb 0.00 -2.34 0.00 0.00 -2.06 0.00 0.00 37.83 33.43 3kcr s LYS 19 CO 0.00 -1.14 0.28 0.00 0.10 0.00 0.00 175.35 174.59 3kcr n ALA 20 N -0.87 -2.19 -1.62 0.59 0.00 -1.26 -4.96 120.51 110.21 3kcr n ALA 20 Ca 0.09 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3kcr n ALA 20 Cb 0.44 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3kcr n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kcr n SER 21 N -1.10 0.00 0.09 0.00 7.64 -1.26 -4.75 113.62 114.24 3kcr n SER 21 Ca 0.01 -0.63 0.13 0.00 1.01 0.00 0.00 58.87 59.39 3kcr n SER 21 Cb 0.43 0.00 0.43 0.00 -1.01 0.00 0.00 64.21 64.06 3kcr n SER 21 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kcr n THR 22 N 0.00 0.52 0.00 0.44 -2.24 -1.26 -3.71 114.28 108.03 3kcr n THR 22 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3kcr n THR 22 Cb 0.16 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 3kcr n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kcr n ALA 23 N -1.75 0.00 0.15 6.98 0.00 -1.26 -4.85 120.51 119.78 3kcr n ALA 23 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 3kcr n ALA 23 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 3kcr n ALA 23 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3kcr n MET 24 N 0.00 5.44 0.00 0.00 2.00 -1.23 -4.23 117.12 119.09 3kcr n MET 24 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.64 3kcr n MET 24 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 33.22 32.54 3kcr n MET 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3kcr n GLU 25 N -0.97 0.00 -4.17 0.03 1.02 -1.22 -0.48 120.64 114.85 3kcr n GLU 25 Ca 0.01 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3kcr n GLU 25 Cb 0.05 -0.09 -0.10 0.00 -0.02 0.00 0.00 31.44 31.28 3kcr n GLU 25 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3kcr s LYS 26 N 0.00 1.20 2.93 3.49 -2.85 -1.24 -4.81 119.74 118.46 3kcr s LYS 26 Ca 0.00 -1.57 0.00 0.00 -1.00 0.00 0.00 55.97 53.40 3kcr s LYS 26 Cb 0.00 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 3kcr s LYS 26 CO 0.00 -0.40 0.00 0.43 0.10 0.00 0.00 175.35 175.48 3kcr n SER 27 N -0.26 -0.65 -4.78 0.03 7.64 -1.26 -4.01 113.62 110.34 3kcr n SER 27 Ca 0.01 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.52 3kcr n SER 27 Cb 0.65 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 3kcr n SER 27 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3kcr s ASN 28 N -4.00 6.30 0.05 6.43 0.01 -1.26 -4.67 114.94 117.81 3kcr s ASN 28 Ca 0.00 2.21 0.00 0.00 -0.71 0.00 0.00 52.86 54.36 3kcr s ASN 28 Cb 0.00 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3kcr s ASN 28 CO 0.00 -0.82 0.00 0.41 -1.51 0.00 0.00 177.10 175.18 3kcr n THR 29 N -0.45 -5.00 -3.76 1.60 -1.04 -1.26 -4.62 114.28 99.75 3kcr n THR 29 Ca 0.07 0.88 -0.13 0.00 -2.04 0.00 0.00 64.05 62.83 3kcr n THR 29 Cb 0.49 -2.99 -0.09 0.00 -1.82 0.00 0.00 70.33 65.92 3kcr n THR 29 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3kcr s ILE 30 N -0.13 0.04 -0.03 12.58 2.07 -0.97 -3.44 121.20 131.31 3kcr s ILE 30 Ca 0.00 -0.34 -0.02 0.00 -1.41 0.00 0.00 60.65 58.88 3kcr s ILE 30 Cb 0.00 -0.58 0.02 0.00 0.13 0.00 0.00 42.46 42.03 3kcr s ILE 30 CO 0.00 -0.19 0.08 0.54 -1.91 0.00 0.00 174.94 173.46 3kcr s VAL 31 N -0.93 -0.03 -0.28 4.00 0.11 0.37 -2.45 120.40 121.19 3kcr s VAL 31 Ca -0.10 0.11 -0.26 0.00 -2.93 0.00 0.00 61.98 58.80 3kcr s VAL 31 Cb -0.04 -0.13 0.16 0.00 -1.53 0.00 0.00 36.38 34.84 3kcr s VAL 31 CO 0.03 0.05 1.27 -1.48 -3.33 0.00 0.00 175.10 171.64 3kcr s LEU 32 N 0.64 -0.20 -0.21 2.54 2.34 -1.26 -2.45 118.68 120.08 3kcr s LEU 32 Ca -0.05 0.36 -0.30 0.00 0.06 0.00 0.00 54.13 54.20 3kcr s LEU 32 Cb -0.07 1.40 -0.07 0.00 -0.56 0.00 0.00 46.19 46.90 3kcr s LEU 32 CO -0.02 -0.09 2.19 0.29 -1.06 0.00 0.00 176.35 177.65 3kcr n LYS 33 N 1.59 1.90 -3.86 1.48 5.02 -0.50 -0.70 118.16 123.09 3kcr n LYS 33 Ca -0.10 0.55 -0.30 0.00 -2.02 0.00 0.00 58.31 56.44 3kcr n LYS 33 Cb 0.57 -3.07 -0.15 0.00 -0.02 0.00 0.00 35.03 32.36 3kcr n LYS 33 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kcr s VAL 34 N 7.67 1.45 0.00 -0.18 -7.23 -1.26 -2.72 120.40 118.13 3kcr s VAL 34 Ca 1.01 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 3kcr s VAL 34 Cb -0.44 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.48 3kcr s VAL 34 CO 0.39 -0.55 0.00 0.00 -0.31 0.00 0.00 175.10 174.63 3kcr n ALA 35 N 4.62 0.00 0.00 1.32 0.00 -1.19 -3.90 120.51 121.36 3kcr n ALA 35 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3kcr n ALA 35 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3kcr n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kcr n LYS 36 N 10.89 4.15 -0.02 0.00 4.76 -1.26 -4.56 118.16 132.12 3kcr n LYS 36 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 3kcr n LYS 36 Cb 0.00 -0.43 0.03 0.00 -1.84 0.00 0.00 35.03 32.79 3kcr n LYS 36 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3kcr n ASP 37 N -0.10 1.74 0.00 4.39 5.75 -1.26 -4.96 116.55 122.11 3kcr n ASP 37 Ca 0.00 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 3kcr n ASP 37 Cb 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3kcr n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kcr n ALA 38 N -0.00 0.00 -0.76 2.12 0.00 -1.25 -4.56 120.51 116.05 3kcr n ALA 38 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3kcr n ALA 38 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3kcr n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3kcr n THR 39 N 0.00 0.00 -2.95 0.00 5.66 -1.26 -4.94 114.28 110.80 3kcr n THR 39 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 3kcr n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3kcr n THR 39 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3kcr n LYS 40 N 0.00 -3.29 0.04 1.09 5.02 -1.26 -4.69 118.16 115.07 3kcr n LYS 40 Ca 0.00 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 3kcr n LYS 40 Cb 0.01 -5.35 0.00 0.00 -0.02 0.00 0.00 35.03 29.67 3kcr n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kcr n ALA 41 N -3.04 1.17 -0.27 7.82 0.00 -1.26 -4.73 120.51 120.19 3kcr n ALA 41 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.41 3kcr n ALA 41 Cb 0.59 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.33 3kcr n ALA 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kcr n GLU 42 N -2.71 3.59 0.00 0.00 1.02 -1.26 -1.64 120.64 119.64 3kcr n GLU 42 Ca 0.00 -2.24 0.06 0.00 -0.02 0.00 0.00 57.16 54.96 3kcr n GLU 42 Cb 0.00 -1.96 0.02 0.00 -0.02 0.00 0.00 31.44 29.48 3kcr n GLU 42 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3kcr n ILE 43 N 0.56 0.00 0.23 -3.67 -5.35 -1.26 -3.94 119.36 105.93 3kcr n ILE 43 Ca 0.20 -0.43 0.02 0.00 -0.27 0.00 0.00 62.75 62.27 3kcr n ILE 43 Cb 0.86 1.18 -0.01 0.00 -1.74 0.00 0.00 39.64 39.94 3kcr n ILE 43 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 3kcr n LYS 44 N 0.14 3.12 -0.01 6.28 2.85 -0.96 -4.62 118.16 124.95 3kcr n LYS 44 Ca 0.06 -0.33 0.01 0.00 -1.05 0.00 0.00 58.31 56.99 3kcr n LYS 44 Cb 0.26 -0.88 0.02 0.00 -0.65 0.00 0.00 35.03 33.78 3kcr n LYS 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kcr n ALA 45 N -0.54 2.02 0.22 0.58 0.00 -0.65 -3.65 120.51 118.49 3kcr n ALA 45 Ca 0.02 -1.19 0.04 0.00 0.00 0.00 0.00 53.44 52.31 3kcr n ALA 45 Cb 0.10 -0.05 0.05 0.00 0.00 0.00 0.00 19.45 19.55 3kcr n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr n ALA 46 N -0.61 2.41 -0.15 0.00 0.00 -1.25 -3.81 120.51 117.10 3kcr n ALA 46 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3kcr n ALA 46 Cb 0.30 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3kcr n ALA 46 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kcr n VAL 47 N 0.38 0.00 1.03 0.00 0.24 -1.26 -4.23 118.33 114.49 3kcr n VAL 47 Ca 0.05 -0.42 0.11 0.00 -2.04 0.00 0.00 64.34 62.05 3kcr n VAL 47 Cb 0.23 1.15 0.02 0.00 -1.47 0.00 0.00 33.84 33.77 3kcr n VAL 47 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3kcr n GLN 48 N -0.11 0.61 -0.69 7.34 7.27 -1.24 -0.91 117.38 129.65 3kcr n GLN 48 Ca 0.00 -0.48 0.04 0.00 0.07 0.00 0.00 57.00 56.63 3kcr n GLN 48 Cb 0.04 -1.49 0.30 0.00 2.41 0.00 0.00 30.24 31.49 3kcr n GLN 48 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 3kcr n LYS 49 N -0.78 3.41 0.00 3.69 2.85 -1.25 -3.74 118.16 122.34 3kcr n LYS 49 Ca 0.07 -3.00 0.00 0.00 -1.05 0.00 0.00 58.31 54.34 3kcr n LYS 49 Cb 0.39 -2.01 0.00 0.00 -0.65 0.00 0.00 35.03 32.76 3kcr n LYS 49 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3kcr n LEU 50 N -0.26 0.00 0.00 -5.58 7.94 -1.20 -4.91 117.00 112.99 3kcr n LEU 50 Ca 0.28 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 3kcr n LEU 50 Cb 1.07 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.02 3kcr n LEU 50 CO 0.25 0.00 0.00 0.49 -1.11 0.00 0.00 177.39 177.02 3kcr n PHE 51 N -0.15 0.00 -1.01 1.96 3.01 -0.09 -4.91 117.46 116.27 3kcr n PHE 51 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kcr n PHE 51 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3kcr n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3kcr n GLU 52 N 0.00 -0.02 -2.68 -1.08 -0.58 -0.44 -4.89 120.64 110.95 3kcr n GLU 52 Ca 0.00 0.46 -0.42 0.00 -0.42 0.00 0.00 57.16 56.77 3kcr n GLU 52 Cb 0.00 -3.92 -0.03 0.00 -0.57 0.00 0.00 31.44 26.92 3kcr n GLU 52 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3kcr s VAL 53 N -2.01 4.78 -2.33 2.62 -7.23 -0.97 -4.82 120.40 110.44 3kcr s VAL 53 Ca 0.00 2.03 0.21 0.00 -1.81 0.00 0.00 61.98 62.41 3kcr s VAL 53 Cb 0.00 -4.30 0.45 0.00 0.56 0.00 0.00 36.38 33.09 3kcr s VAL 53 CO 0.00 0.04 1.53 -0.62 -0.31 0.00 0.00 175.10 175.74 3kcr n GLU 54 N 4.74 1.85 -1.73 4.82 4.71 -1.26 -3.68 120.64 130.09 3kcr n GLU 54 Ca 0.08 -1.28 -0.01 0.00 -0.01 0.00 0.00 57.16 55.95 3kcr n GLU 54 Cb 0.49 -1.42 -0.00 0.00 -1.01 0.00 0.00 31.44 29.50 3kcr n GLU 54 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kcr n VAL 55 N 0.51 -7.65 -0.28 2.62 0.31 -1.26 -4.89 118.33 107.68 3kcr n VAL 55 Ca 0.17 1.51 0.01 0.00 -0.01 0.00 0.00 64.34 66.02 3kcr n VAL 55 Cb 0.38 -4.62 0.14 0.00 -0.91 0.00 0.00 33.84 28.83 3kcr n VAL 55 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kcr h GLU 56 N 2.06 0.76 -2.81 5.55 5.08 -0.76 -3.39 114.58 121.07 3kcr h GLU 56 Ca -0.06 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 3kcr h GLU 56 Cb 0.13 -0.17 -0.30 0.00 0.50 0.00 0.00 28.75 28.91 3kcr h GLU 56 CO 0.00 0.51 -0.44 0.54 -1.00 0.00 0.00 179.01 178.61 3kcr s VAL 57 N -6.06 -0.24 -0.12 3.13 0.11 -0.30 -4.92 120.40 112.01 3kcr s VAL 57 Ca -0.13 0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 58.87 3kcr s VAL 57 Cb 0.18 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 3kcr s VAL 57 CO 0.78 0.08 0.74 0.54 -3.33 0.00 0.00 175.10 173.90 3kcr s VAL 58 N 1.85 4.99 0.28 2.04 0.11 -1.26 -0.26 120.40 128.16 3kcr s VAL 58 Ca -0.05 1.48 0.02 0.00 -2.93 0.00 0.00 61.98 60.50 3kcr s VAL 58 Cb -0.11 -4.06 -0.04 0.00 -1.53 0.00 0.00 36.38 30.64 3kcr s VAL 58 CO -0.10 0.16 0.13 0.20 -3.33 0.00 0.00 175.10 172.16 3kcr s ASN 59 N 0.98 1.35 0.05 3.54 0.01 -1.26 -4.99 114.94 114.62 3kcr s ASN 59 Ca 0.37 -1.48 -0.10 0.00 -0.71 0.00 0.00 52.86 50.93 3kcr s ASN 59 Cb -0.17 0.30 0.01 0.00 0.41 0.00 0.00 41.25 41.79 3kcr s ASN 59 CO 0.15 -0.82 0.22 0.42 -1.51 0.00 0.00 177.10 175.57 3kcr s THR 60 N -3.69 0.11 -0.29 1.60 -4.23 -1.15 -4.47 115.64 103.53 3kcr s THR 60 Ca 0.36 -0.90 -0.16 0.00 -1.18 0.00 0.00 61.69 59.81 3kcr s THR 60 Cb 0.06 -1.02 0.14 0.00 1.34 0.00 0.00 72.50 73.02 3kcr s THR 60 CO 0.16 -0.50 0.95 -1.48 -0.54 0.00 0.00 174.62 173.20 3kcr s LEU 61 N -2.28 -0.56 0.54 4.79 2.34 -1.05 -4.97 118.68 117.49 3kcr s LEU 61 Ca -0.03 0.88 -0.19 0.00 0.06 0.00 0.00 54.13 54.86 3kcr s LEU 61 Cb 0.00 1.81 -0.06 0.00 -0.56 0.00 0.00 46.19 47.38 3kcr s LEU 61 CO -0.06 -0.14 1.11 -0.69 -1.06 0.00 0.00 176.35 175.52 3kcr s VAL 62 N 1.41 3.30 -0.13 1.48 1.01 -1.26 -1.56 120.40 124.65 3kcr s VAL 62 Ca -0.09 0.79 0.02 0.00 0.00 0.00 0.00 61.98 62.70 3kcr s VAL 62 Cb -0.04 -3.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 3kcr s VAL 62 CO -0.15 -0.19 -0.19 0.68 0.00 0.00 0.00 175.10 175.24 3kcr s VAL 63 N -1.86 2.40 0.04 2.92 -7.23 -1.04 -4.83 120.40 110.80 3kcr s VAL 63 Ca 0.71 -0.88 -0.00 0.00 -1.81 0.00 0.00 61.98 59.99 3kcr s VAL 63 Cb -0.22 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 3kcr s VAL 63 CO 0.27 0.54 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.97 3kcr s LYS 64 N 0.53 0.51 0.00 4.82 0.00 -1.26 -4.55 119.74 119.79 3kcr s LYS 64 Ca -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 55.97 54.85 3kcr s LYS 64 Cb -0.17 0.14 0.00 0.00 0.00 0.00 0.00 37.83 37.81 3kcr s LYS 64 CO 0.04 -0.08 0.00 0.41 0.00 0.00 0.00 175.35 175.72 3kcr n GLY 65 N 0.66 1.19 0.33 0.59 0.00 -1.26 -5.16 105.19 101.53 3kcr n GLY 65 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3kcr n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kcr n LYS 66 N 0.00 -0.92 -2.52 1.61 4.81 -1.26 -4.99 118.16 114.89 3kcr n LYS 66 Ca 0.00 0.70 -0.34 0.00 -0.87 0.00 0.00 58.31 57.80 3kcr n LYS 66 Cb 0.00 -0.81 -0.03 0.00 0.02 0.00 0.00 35.03 34.21 3kcr n LYS 66 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3kcr s VAL 67 N -2.95 3.91 0.00 3.15 -7.23 -1.26 -4.89 120.40 111.13 3kcr s VAL 67 Ca 0.00 1.14 0.00 0.00 -1.81 0.00 0.00 61.98 61.31 3kcr s VAL 67 Cb 0.00 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.47 3kcr s VAL 67 CO 0.00 -0.30 0.00 0.29 -0.31 0.00 0.00 175.10 174.78 3kcr n LYS 68 N -1.07 0.00 -1.13 4.82 5.02 -1.25 -4.85 118.16 119.71 3kcr n LYS 68 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3kcr n LYS 68 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 3kcr n LYS 68 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kcr n ARG 69 N 0.00 0.00 0.00 1.97 1.74 -1.26 -0.66 116.66 118.45 3kcr n ARG 69 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kcr n ARG 69 Cb 0.00 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 3kcr n ARG 69 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3kcr n HIS 70 N -2.56 0.00 1.13 -1.55 8.25 -1.26 -4.81 115.22 114.41 3kcr n HIS 70 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 3kcr n HIS 70 Cb 0.28 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.59 3kcr n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kcr n GLY 71 N 0.00 -0.34 0.00 -1.41 0.00 -1.26 -2.66 105.19 99.52 3kcr n GLY 71 Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.57 3kcr n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kcr n GLN 72 N -0.40 0.80 -1.86 1.61 1.13 -1.26 -4.82 117.38 112.58 3kcr n GLN 72 Ca 0.11 -0.10 -0.16 0.00 -1.94 0.00 0.00 57.00 54.91 3kcr n GLN 72 Cb 0.40 -1.27 0.08 0.00 0.11 0.00 0.00 30.24 29.57 3kcr n GLN 72 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 3kcr n ARG 73 N -1.84 0.04 -1.82 -1.09 0.63 -1.24 -5.07 116.66 106.27 3kcr n ARG 73 Ca -0.02 -1.78 -0.37 0.00 -0.92 0.00 0.00 57.85 54.77 3kcr n ARG 73 Cb 0.31 -0.49 0.06 0.00 0.45 0.00 0.00 32.46 32.79 3kcr n ARG 73 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 3kcr s ILE 74 N -2.07 2.21 0.33 5.15 -4.36 -1.25 -4.81 121.20 116.39 3kcr s ILE 74 Ca 0.45 0.13 0.09 0.00 -0.26 0.00 0.00 60.65 61.06 3kcr s ILE 74 Cb -0.02 -3.05 -0.06 0.00 1.25 0.00 0.00 42.46 40.57 3kcr s ILE 74 CO 0.30 -0.03 -0.10 -0.83 0.24 0.00 0.00 174.94 174.52 3kcr s GLY 75 N -1.45 2.13 -0.01 6.27 0.00 -1.09 -4.50 107.32 108.67 3kcr s GLY 75 Ca 0.81 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 43.48 3kcr s GLY 75 CO 0.38 -2.01 -0.00 -1.60 0.00 0.00 0.00 173.10 169.87 3kcr s ARG 76 N -3.61 0.07 -0.26 2.90 3.52 0.17 -4.81 118.95 116.92 3kcr s ARG 76 Ca 0.32 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.97 3kcr s ARG 76 Cb 0.02 -0.13 0.06 0.00 -1.56 0.00 0.00 34.95 33.33 3kcr s ARG 76 CO 0.16 -0.03 -0.11 0.50 -0.81 0.00 0.00 175.30 175.01 3kcr s ARG 77 N 0.28 2.26 0.52 5.12 6.06 -1.26 -3.88 118.95 128.04 3kcr s ARG 77 Ca -0.02 -1.33 -0.09 0.00 -2.50 0.00 0.00 55.73 51.79 3kcr s ARG 77 Cb -0.04 -2.88 -0.04 0.00 0.06 0.00 0.00 34.95 32.05 3kcr s ARG 77 CO -0.01 -0.56 0.87 -1.12 -2.50 0.00 0.00 175.30 171.99 3kcr s SER 78 N 1.11 6.31 0.12 -2.12 0.01 -1.26 -5.05 113.70 112.82 3kcr s SER 78 Ca -0.09 1.16 0.05 0.00 1.31 0.00 0.00 55.95 58.38 3kcr s SER 78 Cb -0.20 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3kcr s SER 78 CO -0.05 -0.64 -0.12 -1.81 0.41 0.00 0.00 173.24 171.02 3kcr s ASP 79 N -3.92 1.82 0.00 2.44 1.01 -1.26 -5.09 116.67 111.67 3kcr s ASP 79 Ca 0.51 -0.85 0.00 0.00 0.71 0.00 0.00 52.55 52.93 3kcr s ASP 79 Cb -0.10 -0.04 0.00 0.00 1.01 0.00 0.00 42.92 43.79 3kcr s ASP 79 CO 0.45 -0.21 0.00 0.79 0.21 0.00 0.00 175.17 176.41 3kcr n TRP 80 N 0.41 -0.39 -4.29 4.23 8.01 -1.26 -5.01 117.44 119.14 3kcr n TRP 80 Ca -0.15 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.83 3kcr n TRP 80 Cb 0.58 0.00 -0.12 0.00 -2.01 0.00 0.00 31.31 29.76 3kcr n TRP 80 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 3kcr s LYS 81 N -0.81 1.16 -0.09 -0.99 -0.14 -1.26 -2.49 119.74 115.12 3kcr s LYS 81 Ca 0.00 -1.27 0.02 0.00 -1.36 0.00 0.00 55.97 53.35 3kcr s LYS 81 Cb 0.00 -1.24 -0.02 0.00 -1.68 0.00 0.00 37.83 34.88 3kcr s LYS 81 CO 0.00 0.26 -0.14 0.15 -0.76 0.00 0.00 175.35 174.87 3kcr s LYS 82 N -2.43 2.90 -0.07 1.68 1.02 -0.60 -3.24 119.74 118.99 3kcr s LYS 82 Ca 0.11 -0.69 -0.24 0.00 0.02 0.00 0.00 55.97 55.17 3kcr s LYS 82 Cb -0.07 -2.49 -0.19 0.00 -0.52 0.00 0.00 37.83 34.55 3kcr s LYS 82 CO 0.05 0.44 0.90 0.00 -0.92 0.00 0.00 175.35 175.82 3kcr h ALA 83 N 5.94 -0.08 -6.08 5.17 0.00 -1.19 -2.79 119.26 120.23 3kcr h ALA 83 Ca -0.37 -0.30 -0.43 0.00 0.00 0.00 0.00 54.91 53.81 3kcr h ALA 83 Cb 1.18 0.03 0.05 0.00 0.00 0.00 0.00 17.79 19.05 3kcr h ALA 83 CO 0.53 -0.18 -0.76 0.66 0.00 0.00 0.00 179.25 179.49 3kcr n TYR 84 N -4.80 -2.34 -2.23 0.00 0.53 -1.19 -2.91 117.16 104.22 3kcr n TYR 84 Ca -0.08 0.92 -0.27 0.00 -1.02 0.00 0.00 57.90 57.45 3kcr n TYR 84 Cb 0.31 -4.45 0.04 0.00 -1.03 0.00 0.00 39.34 34.21 3kcr n TYR 84 CO 0.00 0.00 0.00 0.14 -1.02 0.00 0.00 176.86 175.98 3kcr s VAL 85 N -3.40 3.36 -0.14 -0.72 -7.23 -1.03 -4.23 120.40 107.01 3kcr s VAL 85 Ca 0.42 0.08 -0.01 0.00 -1.81 0.00 0.00 61.98 60.65 3kcr s VAL 85 Cb -0.20 -3.38 -0.02 0.00 0.56 0.00 0.00 36.38 33.34 3kcr s VAL 85 CO 0.79 -0.42 -0.10 -0.89 -0.31 0.00 0.00 175.10 174.17 3kcr s THR 86 N -3.14 3.32 0.45 5.32 2.01 0.64 -2.30 115.64 121.95 3kcr s THR 86 Ca 0.56 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 3kcr s THR 86 Cb -0.11 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 3kcr s THR 86 CO 0.47 0.51 0.70 -0.76 -0.69 0.00 0.00 174.62 174.84 3kcr s LEU 87 N 0.39 3.69 0.00 4.42 1.43 -1.26 -0.34 118.68 127.01 3kcr s LEU 87 Ca -0.08 0.56 0.24 0.00 -1.03 0.00 0.00 54.13 53.81 3kcr s LEU 87 Cb -0.15 -3.44 0.21 0.00 0.03 0.00 0.00 46.19 42.83 3kcr s LEU 87 CO 0.05 -0.60 1.22 2.29 0.23 0.00 0.00 176.35 179.53 3kcr n LYS 88 N -2.11 0.72 -4.10 1.70 2.85 -1.26 -3.72 118.16 112.24 3kcr n LYS 88 Ca -0.00 -0.54 -0.11 0.00 -1.05 0.00 0.00 58.31 56.61 3kcr n LYS 88 Cb 0.57 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.38 3kcr n LYS 88 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3kcr s GLU 89 N -2.65 1.40 -0.32 -1.58 2.02 -1.26 -4.91 118.70 111.40 3kcr s GLU 89 Ca 0.17 -1.46 -0.11 0.00 0.02 0.00 0.00 54.97 53.59 3kcr s GLU 89 Cb 0.18 0.37 0.19 0.00 0.10 0.00 0.00 34.13 34.98 3kcr s GLU 89 CO 0.64 -0.53 1.11 0.20 0.02 0.00 0.00 175.26 176.69 3kcr s GLY 90 N -3.10 -1.66 0.00 -1.39 0.00 -1.26 -4.56 107.32 95.35 3kcr s GLY 90 Ca 0.31 1.27 0.00 0.00 0.00 0.00 0.00 44.72 46.30 3kcr s GLY 90 CO 0.11 4.39 0.00 0.61 0.00 0.00 0.00 173.10 178.21 3kcr n GLN 91 N 3.40 0.00 -3.10 2.90 10.64 -1.26 -4.70 117.38 125.26 3kcr n GLN 91 Ca 0.06 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 55.01 3kcr n GLN 91 Cb 0.64 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.99 3kcr n GLN 91 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3kcr n ASN 92 N 0.00 2.38 -0.68 2.61 4.13 -1.26 -5.20 115.26 117.25 3kcr n ASN 92 Ca 0.00 -3.29 0.13 0.00 1.68 0.00 0.00 54.58 53.11 3kcr n ASN 92 Cb 0.29 -0.60 0.35 0.00 -1.54 0.00 0.00 39.78 38.29 3kcr n ASN 92 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72