#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjp n GLY 2 N 0.00 -2.49 0.22 8.20 0.00 -1.26 -4.79 105.19 105.07 2kjp n GLY 2 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 2kjp n GLY 2 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kjp h ILE 3 N 0.00 1.23 -4.05 -0.61 1.08 -1.98 -3.44 117.51 109.75 2kjp h ILE 3 Ca 0.00 -0.82 -0.47 0.00 -0.39 0.00 0.00 64.86 63.18 2kjp h ILE 3 Cb 0.00 0.95 0.02 0.00 -3.07 0.00 0.00 36.82 34.72 2kjp h ILE 3 CO 0.00 0.29 0.38 -0.72 -0.69 0.00 0.00 178.15 177.41 2kjp s TYR 4 N -5.27 3.10 0.05 1.37 -0.85 -1.26 -4.75 117.35 109.74 2kjp s TYR 4 Ca -0.13 1.60 -0.31 0.00 -0.52 0.00 0.00 57.07 57.71 2kjp s TYR 4 Cb 0.10 -3.03 -0.06 0.00 0.38 0.00 0.00 41.96 39.35 2kjp s TYR 4 CO 0.78 -0.65 1.29 0.00 -1.52 0.00 0.00 175.55 175.44 2kjp s ALA 5 N -1.96 3.49 0.00 9.51 0.00 -0.38 -4.18 121.76 128.24 2kjp s ALA 5 Ca 0.65 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2kjp s ALA 5 Cb -0.16 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2kjp s ALA 5 CO 0.20 -0.61 0.00 0.45 0.00 0.00 0.00 175.76 175.80 2kjp n SER 6 N 4.36 0.00 -3.64 0.00 2.88 -1.26 0.23 113.62 116.20 2kjp n SER 6 Ca 0.11 0.37 -0.10 0.00 -1.33 0.00 0.00 58.87 57.92 2kjp n SER 6 Cb 0.45 -0.40 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 2kjp n SER 6 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kjp s SER 7 N -2.67 -0.70 0.01 -3.46 0.15 -1.26 -0.12 113.70 105.66 2kjp s SER 7 Ca 0.00 1.26 0.01 0.00 0.70 0.00 0.00 55.95 57.92 2kjp s SER 7 Cb 0.00 1.28 -0.01 0.00 -1.71 0.00 0.00 66.02 65.58 2kjp s SER 7 CO 0.00 -0.21 -0.05 0.68 1.20 0.00 0.00 173.24 174.86 2kjp s VAL 8 N 0.72 0.38 0.31 4.45 -7.23 -1.25 -5.05 120.40 112.73 2kjp s VAL 8 Ca -0.02 -0.53 -0.28 0.00 -1.81 0.00 0.00 61.98 59.34 2kjp s VAL 8 Cb -0.05 -0.39 -0.14 0.00 0.56 0.00 0.00 36.38 36.37 2kjp s VAL 8 CO -0.07 -0.11 1.03 0.55 -0.31 0.00 0.00 175.10 176.19 2kjp n VAL 9 N 2.37 2.02 -3.11 1.32 3.14 -1.26 -4.91 118.33 117.90 2kjp n VAL 9 Ca -0.17 -0.50 -0.45 0.00 -2.96 0.00 0.00 64.34 60.26 2kjp n VAL 9 Cb 0.57 -1.07 -0.04 0.00 -1.06 0.00 0.00 33.84 32.25 2kjp n VAL 9 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2kjp s GLU 10 N -1.62 3.25 -0.08 1.45 2.12 -1.26 -4.76 118.70 117.79 2kjp s GLU 10 Ca 0.58 -1.60 0.17 0.00 0.36 0.00 0.00 54.97 54.48 2kjp s GLU 10 Cb -0.67 -4.42 0.32 0.00 0.26 0.00 0.00 34.13 29.62 2kjp s GLU 10 CO 0.60 -1.55 1.16 0.27 -0.54 0.00 0.00 175.26 175.20 2kjp n ASN 11 N 5.98 0.25 -4.10 -1.70 2.04 -1.26 -5.12 115.26 111.35 2kjp n ASN 11 Ca 0.01 -2.03 -0.22 0.00 -0.44 0.00 0.00 54.58 51.91 2kjp n ASN 11 Cb 0.45 -0.05 -0.09 0.00 -2.53 0.00 0.00 39.78 37.56 2kjp n ASN 11 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 2kjp s MET 12 N -0.65 1.72 0.59 -3.83 1.00 -1.26 -4.87 119.30 112.00 2kjp s MET 12 Ca 0.20 -2.00 0.30 0.00 0.00 0.00 0.00 55.69 54.19 2kjp s MET 12 Cb 0.27 -0.40 1.78 0.00 0.00 0.00 0.00 34.83 36.49 2kjp s MET 12 CO -0.09 -0.42 2.20 -1.35 0.00 0.00 0.00 175.02 175.36 2kjp h PRO 13 N 2.05 0.00 -1.23 2.03 0.11 -1.97 -3.44 132.00 129.54 2kjp h PRO 13 Ca -0.35 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 2kjp h PRO 13 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2kjp h PRO 13 CO 0.56 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.30 2kjp n ALA 14 N -2.31 -0.05 -1.90 -0.75 0.00 -1.26 -4.83 120.51 109.41 2kjp n ALA 14 Ca -0.01 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 2kjp n ALA 14 Cb 0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 2kjp n ALA 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kjp s LYS 15 N -1.76 4.24 0.00 0.00 2.20 -1.26 -3.06 119.74 120.10 2kjp s LYS 15 Ca 0.00 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 2kjp s LYS 15 Cb 0.00 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 2kjp s LYS 15 CO 0.00 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.91 2kjp n GLY 16 N 2.70 0.00 2.88 5.54 0.00 -1.26 -4.80 105.19 110.25 2kjp n GLY 16 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 2kjp n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kjp s LYS 17 N -1.32 0.06 0.04 1.61 -2.85 -1.17 -4.87 119.74 111.23 2kjp s LYS 17 Ca 0.00 0.33 -0.03 0.00 -1.00 0.00 0.00 55.97 55.27 2kjp s LYS 17 Cb 0.00 -0.20 -0.02 0.00 -2.06 0.00 0.00 37.83 35.55 2kjp s LYS 17 CO 0.00 -0.17 0.03 -1.50 0.10 0.00 0.00 175.35 173.81 2kjp s ILE 18 N 1.16 0.16 -0.28 3.79 1.10 -1.26 -4.48 121.20 121.39 2kjp s ILE 18 Ca -0.09 -1.31 -0.01 0.00 -0.51 0.00 0.00 60.65 58.73 2kjp s ILE 18 Cb -0.12 -1.00 0.12 0.00 0.15 0.00 0.00 42.46 41.61 2kjp s ILE 18 CO -0.05 -0.72 0.26 -1.61 -2.11 0.00 0.00 174.94 170.70 2kjp s GLU 19 N -2.90 0.28 -0.46 3.50 2.02 -1.26 -4.94 118.70 114.95 2kjp s GLU 19 Ca -0.03 -0.19 0.04 0.00 0.02 0.00 0.00 54.97 54.82 2kjp s GLU 19 Cb 0.01 -0.80 0.19 0.00 0.10 0.00 0.00 34.13 33.62 2kjp s GLU 19 CO -0.06 -0.99 0.77 0.08 0.02 0.00 0.00 175.26 175.08 2kjp s VAL 20 N 2.31 -0.84 0.00 2.63 1.01 -1.26 -3.93 120.40 120.32 2kjp s VAL 20 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2kjp s VAL 20 Cb -0.14 0.00 0.00 0.00 0.00 0.00 0.00 36.38 36.24 2kjp s VAL 20 CO -0.32 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.39 2kjp n GLY 21 N 3.31 2.96 3.70 4.51 0.00 0.64 -4.94 105.19 115.36 2kjp n GLY 21 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2kjp n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kjp s ASP 22 N -0.60 3.41 -0.07 1.61 1.01 -1.18 -4.59 116.67 116.26 2kjp s ASP 22 Ca 0.00 1.93 0.02 0.00 0.71 0.00 0.00 52.55 55.21 2kjp s ASP 22 Cb 0.00 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 2kjp s ASP 22 CO 0.00 -2.75 -0.12 -0.75 0.21 0.00 0.00 175.17 171.76 2kjp s LYS 23 N -4.76 2.72 -0.30 8.23 2.20 -1.25 -1.25 119.74 125.33 2kjp s LYS 23 Ca 0.64 -0.66 -0.17 0.00 -0.36 0.00 0.00 55.97 55.43 2kjp s LYS 23 Cb -0.20 -2.48 -0.02 0.00 -1.51 0.00 0.00 37.83 33.62 2kjp s LYS 23 CO 0.58 0.56 0.47 0.42 -0.36 0.00 0.00 175.35 177.01 2kjp s ILE 24 N -0.56 5.09 0.04 5.43 1.09 -1.26 -1.23 121.20 129.80 2kjp s ILE 24 Ca 0.08 0.57 -0.27 0.00 -1.10 0.00 0.00 60.65 59.94 2kjp s ILE 24 Cb -0.12 -3.83 -0.17 0.00 -1.06 0.00 0.00 42.46 37.28 2kjp s ILE 24 CO 0.02 0.00 1.48 0.40 -0.10 0.00 0.00 174.94 176.73 2kjp h ILE 25 N 5.47 0.76 -1.90 2.92 2.04 -1.84 -3.48 117.51 121.48 2kjp h ILE 25 Ca -0.29 -0.33 0.22 0.00 1.00 0.00 0.00 64.86 65.46 2kjp h ILE 25 Cb 1.14 0.94 -0.13 0.00 -0.74 0.00 0.00 36.82 38.04 2kjp h ILE 25 CO 0.71 0.07 0.65 -0.94 0.00 0.00 0.00 178.15 178.64 2kjp s SER 26 N -5.00 -0.17 -0.02 1.72 1.04 -1.26 -4.67 113.70 105.34 2kjp s SER 26 Ca -0.15 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.14 2kjp s SER 26 Cb 0.03 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2kjp s SER 26 CO 0.61 -0.54 -0.08 0.00 0.98 0.00 0.00 173.24 174.21 2kjp s ALA 27 N -2.83 0.78 0.00 5.32 0.00 -1.17 -2.70 121.76 121.15 2kjp s ALA 27 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2kjp s ALA 27 Cb 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2kjp s ALA 27 CO -0.03 0.12 0.00 -0.25 0.00 0.00 0.00 175.76 175.60 2kjp n ASP 28 N 3.31 -2.35 -0.15 0.00 9.92 -0.85 -2.24 116.55 124.20 2kjp n ASP 28 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 2kjp n ASP 28 Cb 0.54 -2.04 0.00 0.00 -0.64 0.00 0.00 41.12 38.98 2kjp n ASP 28 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kjp n GLY 29 N -1.23 1.02 2.81 0.44 0.00 -1.26 -5.03 105.19 101.94 2kjp n GLY 29 Ca 0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 2kjp n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kjp s LYS 30 N -2.78 0.01 0.79 1.61 2.20 -0.95 -5.15 119.74 115.48 2kjp s LYS 30 Ca 0.00 0.36 -0.12 0.00 -0.36 0.00 0.00 55.97 55.86 2kjp s LYS 30 Cb 0.00 -0.29 0.07 0.00 -1.51 0.00 0.00 37.83 36.10 2kjp s LYS 30 CO 0.00 -0.23 1.10 1.21 -0.36 0.00 0.00 175.35 177.07 2kjp s ASN 31 N 1.59 4.56 -0.07 1.43 3.84 -1.26 -3.04 114.94 121.99 2kjp s ASN 31 Ca -0.04 1.22 -0.05 0.00 0.21 0.00 0.00 52.86 54.20 2kjp s ASN 31 Cb -0.12 -1.94 0.03 0.00 -0.55 0.00 0.00 41.25 38.66 2kjp s ASN 31 CO -0.04 -1.91 0.19 -0.31 -2.79 0.00 0.00 177.10 172.23 2kjp s TYR 32 N -3.22 -0.22 0.00 0.43 2.02 -1.26 -5.00 117.35 110.10 2kjp s TYR 32 Ca 0.61 0.54 0.00 0.00 -0.37 0.00 0.00 57.07 57.85 2kjp s TYR 32 Cb -0.14 0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.46 2kjp s TYR 32 CO 0.53 -0.14 0.05 1.04 -1.57 0.00 0.00 175.55 175.46 2kjp n GLN 33 N 3.48 0.00 -2.97 -0.62 6.02 -1.26 -4.90 117.38 117.13 2kjp n GLN 33 Ca -0.18 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.44 2kjp n GLN 33 Cb 0.56 -0.40 -0.06 0.00 1.02 0.00 0.00 30.24 31.36 2kjp n GLN 33 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kjp s SER 34 N -1.15 7.22 0.59 1.08 0.01 -1.26 -4.90 113.70 115.30 2kjp s SER 34 Ca 0.00 1.60 0.29 0.00 1.31 0.00 0.00 55.95 59.15 2kjp s SER 34 Cb 0.00 -2.49 1.49 0.00 0.21 0.00 0.00 66.02 65.23 2kjp s SER 34 CO 0.00 0.04 1.90 0.00 0.41 0.00 0.00 173.24 175.59 2kjp h ALA 35 N 3.53 2.11 -0.85 1.44 0.00 -1.88 -0.01 119.26 123.59 2kjp h ALA 35 Ca -0.47 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.50 2kjp h ALA 35 Cb 1.20 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 2kjp h ALA 35 CO 0.65 -0.67 0.51 1.49 0.00 0.00 0.00 179.25 181.24 2kjp h GLU 36 N 0.00 0.88 -0.25 0.00 4.81 -1.95 -1.17 114.58 116.90 2kjp h GLU 36 Ca 0.19 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2kjp h GLU 36 Cb 1.12 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2kjp h GLU 36 CO -0.00 0.58 0.03 0.87 -0.73 0.00 0.00 179.01 179.76 2kjp h LYS 37 N 0.91 0.42 -0.38 1.92 6.56 -1.38 -0.44 116.57 124.18 2kjp h LYS 37 Ca 0.39 -0.12 0.02 0.00 -1.06 0.00 0.00 60.65 59.88 2kjp h LYS 37 Cb 0.25 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.83 2kjp h LYS 37 CO -0.20 0.56 0.20 1.25 -2.06 0.00 0.00 179.45 179.20 2kjp h LEU 38 N 0.21 0.29 -0.28 2.94 5.85 -1.43 0.57 115.31 123.46 2kjp h LEU 38 Ca 0.07 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2kjp h LEU 38 Cb 0.36 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2kjp h LEU 38 CO 0.01 0.22 0.10 0.40 -0.34 0.00 0.00 178.44 178.82 2kjp h ILE 39 N 0.40 1.19 -0.76 4.05 2.04 -1.20 -2.64 117.51 120.59 2kjp h ILE 39 Ca 0.16 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 2kjp h ILE 39 Cb 0.05 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2kjp h ILE 39 CO -0.10 0.20 0.35 0.44 0.00 0.00 0.00 178.15 179.04 2kjp h ASP 40 N 0.30 1.00 -0.27 1.72 3.32 -0.62 -1.78 116.42 120.09 2kjp h ASP 40 Ca 0.09 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.04 2kjp h ASP 40 Cb 0.21 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2kjp h ASP 40 CO -0.01 0.85 0.12 0.22 -1.72 0.00 0.00 179.24 178.70 2kjp h TYR 41 N 1.08 0.22 -0.69 4.55 3.20 0.38 -2.16 116.97 123.56 2kjp h TYR 41 Ca 0.26 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 2kjp h TYR 41 Cb 0.13 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2kjp h TYR 41 CO 0.01 0.11 0.34 0.82 -1.64 0.00 0.00 178.16 177.81 2kjp h ILE 42 N 0.26 1.22 -2.90 1.81 2.04 -1.24 -3.46 117.51 115.24 2kjp h ILE 42 Ca 0.11 -0.61 -0.26 0.00 1.00 0.00 0.00 64.86 65.10 2kjp h ILE 42 Cb 0.05 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 2kjp h ILE 42 CO -0.09 0.26 -0.30 -0.24 0.00 0.00 0.00 178.15 177.78 2kjp n SER 43 N -4.46 -3.80 -0.01 1.72 2.88 -0.69 0.43 113.62 109.69 2kjp n SER 43 Ca 0.05 0.23 -0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2kjp n SER 43 Cb 0.12 -3.34 -0.00 0.00 -0.75 0.00 0.00 64.21 60.24 2kjp n SER 43 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2kjp n SER 44 N -1.32 -3.96 -2.96 -3.46 3.41 -1.26 -4.89 113.62 99.17 2kjp n SER 44 Ca -0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.37 2kjp n SER 44 Cb 0.55 -1.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.00 2kjp n SER 44 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kjp n LYS 45 N -1.73 0.98 -3.99 4.33 5.02 0.17 -4.68 118.16 118.25 2kjp n LYS 45 Ca -0.00 -0.87 -0.22 0.00 -2.02 0.00 0.00 58.31 55.20 2kjp n LYS 45 Cb 0.16 -2.13 -0.05 0.00 -0.02 0.00 0.00 35.03 33.00 2kjp n LYS 45 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kjp s LYS 46 N 3.88 2.71 -0.00 1.97 1.02 -1.26 -4.68 119.74 123.37 2kjp s LYS 46 Ca 0.20 -1.26 -0.00 0.00 0.02 0.00 0.00 55.97 54.93 2kjp s LYS 46 Cb 0.06 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 2kjp s LYS 46 CO -0.01 0.22 0.00 0.00 -0.92 0.00 0.00 175.35 174.64 2kjp n ALA 47 N -1.24 -3.00 0.00 5.17 0.00 -1.20 -4.71 120.51 115.53 2kjp n ALA 47 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kjp n ALA 47 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2kjp n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kjp n GLY 48 N 0.02 2.32 3.74 0.00 0.00 -1.25 -4.99 105.19 105.02 2kjp n GLY 48 Ca -0.00 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 2kjp n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kjp s ASP 49 N 0.00 6.67 0.44 1.61 1.01 -1.26 -4.83 116.67 120.31 2kjp s ASP 49 Ca 0.00 2.63 0.07 0.00 0.71 0.00 0.00 52.55 55.95 2kjp s ASP 49 Cb 0.00 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.33 2kjp s ASP 49 CO 0.00 -0.70 0.61 -0.75 0.21 0.00 0.00 175.17 174.54 2kjp s LYS 50 N -0.12 2.79 0.08 8.23 2.20 -1.26 -3.58 119.74 128.07 2kjp s LYS 50 Ca 0.61 -1.13 -0.27 0.00 -0.36 0.00 0.00 55.97 54.81 2kjp s LYS 50 Cb -0.41 -2.71 0.08 0.00 -1.51 0.00 0.00 37.83 33.28 2kjp s LYS 50 CO 0.41 -0.34 0.95 0.54 -0.36 0.00 0.00 175.35 176.55 2kjp s VAL 51 N -2.42 0.00 -0.27 4.02 0.11 -1.26 -4.99 120.40 115.60 2kjp s VAL 51 Ca 0.55 -0.37 -0.05 0.00 -2.93 0.00 0.00 61.98 59.19 2kjp s VAL 51 Cb -0.10 -1.58 0.01 0.00 -1.53 0.00 0.00 36.38 33.18 2kjp s VAL 51 CO 0.34 0.00 0.01 -0.89 -3.33 0.00 0.00 175.10 171.23 2kjp s THR 52 N -3.17 3.52 -0.19 5.04 2.01 -1.26 -3.94 115.64 117.65 2kjp s THR 52 Ca 0.09 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 2kjp s THR 52 Cb -0.01 -2.77 -0.00 0.00 0.01 0.00 0.00 72.50 69.72 2kjp s THR 52 CO -0.03 0.18 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.23 2kjp s LEU 53 N 1.44 2.72 -0.05 4.42 1.43 -1.23 -2.00 118.68 125.42 2kjp s LEU 53 Ca 0.02 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2kjp s LEU 53 Cb -0.16 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2kjp s LEU 53 CO -0.01 0.03 0.15 -0.54 0.23 0.00 0.00 176.35 176.21 2kjp s LYS 54 N 1.18 3.36 0.18 1.70 1.02 -1.10 -4.16 119.74 121.93 2kjp s LYS 54 Ca 0.02 -0.28 0.09 0.00 0.02 0.00 0.00 55.97 55.82 2kjp s LYS 54 Cb -0.14 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 2kjp s LYS 54 CO -0.03 0.71 -0.19 0.42 -0.92 0.00 0.00 175.35 175.34 2kjp s ILE 55 N -1.19 1.96 -0.11 2.17 -1.09 -1.24 -2.90 121.20 118.80 2kjp s ILE 55 Ca 0.22 -2.00 0.03 0.00 -2.23 0.00 0.00 60.65 56.67 2kjp s ILE 55 Cb -0.12 -1.95 -0.00 0.00 -1.58 0.00 0.00 42.46 38.81 2kjp s ILE 55 CO 0.12 -0.31 -0.22 -0.70 -1.23 0.00 0.00 174.94 172.61 2kjp s GLU 56 N -2.89 3.11 -0.33 2.79 2.12 -0.37 -2.77 118.70 120.36 2kjp s GLU 56 Ca 0.18 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.67 2kjp s GLU 56 Cb -0.06 -2.38 0.11 0.00 0.26 0.00 0.00 34.13 32.06 2kjp s GLU 56 CO 0.08 0.16 0.12 1.03 -0.54 0.00 0.00 175.26 176.11 2kjp s ARG 57 N 0.41 0.72 -1.19 4.30 0.52 -0.69 -3.97 118.95 119.06 2kjp s ARG 57 Ca -0.16 -1.15 -0.12 0.00 -0.52 0.00 0.00 55.73 53.78 2kjp s ARG 57 Cb -0.17 -1.91 -0.01 0.00 0.52 0.00 0.00 34.95 33.37 2kjp s ARG 57 CO 0.07 -1.02 0.75 0.39 0.02 0.00 0.00 175.30 175.50 2kjp n GLU 58 N 4.68 -2.37 -2.58 3.54 -0.58 -1.26 -2.22 120.64 119.85 2kjp n GLU 58 Ca -0.00 0.54 -0.15 0.00 -0.42 0.00 0.00 57.16 57.13 2kjp n GLU 58 Cb 0.41 -4.62 0.01 0.00 -0.57 0.00 0.00 31.44 26.67 2kjp n GLU 58 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2kjp n GLU 59 N -4.10 -2.51 -3.83 3.49 1.02 -1.26 -5.02 120.64 108.43 2kjp n GLU 59 Ca -0.16 0.64 -0.29 0.00 -0.02 0.00 0.00 57.16 57.34 2kjp n GLU 59 Cb 0.62 -4.91 -0.16 0.00 -0.02 0.00 0.00 31.44 26.98 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kjp s LYS 60 N -5.09 1.10 0.37 3.49 1.02 -0.94 -5.13 119.74 114.55 2kjp s LYS 60 Ca 0.13 -0.70 -0.15 0.00 0.02 0.00 0.00 55.97 55.27 2kjp s LYS 60 Cb -0.06 -2.33 -0.08 0.00 -0.52 0.00 0.00 37.83 34.84 2kjp s LYS 60 CO 0.16 -0.63 0.78 -1.83 -0.92 0.00 0.00 175.35 172.91 2kjp s GLU 61 N 1.64 3.97 -0.04 1.68 -1.05 -1.26 -1.70 118.70 121.94 2kjp s GLU 61 Ca -0.03 0.69 -0.01 0.00 -0.15 0.00 0.00 54.97 55.47 2kjp s GLU 61 Cb -0.18 -2.37 0.03 0.00 -0.44 0.00 0.00 34.13 31.17 2kjp s GLU 61 CO -0.07 0.06 0.08 0.15 0.95 0.00 0.00 175.26 176.42 2kjp s LYS 62 N -3.29 0.02 -0.22 -4.83 1.02 -1.12 -5.01 119.74 106.31 2kjp s LYS 62 Ca 0.55 0.26 -0.15 0.00 0.02 0.00 0.00 55.97 56.64 2kjp s LYS 62 Cb -0.10 -0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.96 2kjp s LYS 62 CO 0.21 -0.16 0.37 1.03 -0.92 0.00 0.00 175.35 175.89 2kjp s ARG 63 N 1.06 4.14 0.01 1.68 0.52 -1.26 -3.66 118.95 121.43 2kjp s ARG 63 Ca -0.09 0.13 -0.05 0.00 -0.52 0.00 0.00 55.73 55.21 2kjp s ARG 63 Cb -0.12 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.79 2kjp s ARG 63 CO -0.04 -0.08 0.08 0.08 0.02 0.00 0.00 175.30 175.36 2kjp s VAL 64 N 1.43 0.09 -0.16 3.52 1.01 -1.26 -5.11 120.40 119.93 2kjp s VAL 64 Ca 0.17 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2kjp s VAL 64 Cb -0.15 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.90 2kjp s VAL 64 CO 0.08 -0.41 -0.10 -0.89 0.00 0.00 0.00 175.10 173.78 2kjp s THR 65 N -1.36 1.39 0.08 3.92 2.01 -1.26 -3.49 115.64 116.93 2kjp s THR 65 Ca -0.15 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.22 2kjp s THR 65 Cb -0.08 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 2kjp s THR 65 CO 0.01 0.30 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.39 2kjp s LEU 66 N 1.53 2.37 0.08 4.42 2.01 -1.25 -5.09 118.68 122.75 2kjp s LEU 66 Ca 0.02 -0.76 -0.24 0.00 0.01 0.00 0.00 54.13 53.16 2kjp s LEU 66 Cb -0.14 -0.23 -0.06 0.00 0.01 0.00 0.00 46.19 45.76 2kjp s LEU 66 CO -0.09 -0.27 0.74 -0.89 1.01 0.00 0.00 176.35 176.84 2kjp s THR 67 N -2.29 4.63 0.55 5.49 2.01 -1.26 -4.01 115.64 120.76 2kjp s THR 67 Ca 0.02 1.59 -0.19 0.00 0.31 0.00 0.00 61.69 63.41 2kjp s THR 67 Cb -0.04 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2kjp s THR 67 CO -0.01 0.44 1.12 -0.76 -0.69 0.00 0.00 174.62 174.72 2kjp s LEU 68 N -0.51 3.71 0.29 4.42 1.43 -1.23 -4.97 118.68 121.81 2kjp s LEU 68 Ca 0.36 2.13 0.03 0.00 -1.03 0.00 0.00 54.13 55.62 2kjp s LEU 68 Cb -0.21 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.38 2kjp s LEU 68 CO 0.23 -1.23 0.05 -0.54 0.23 0.00 0.00 176.35 175.10 2kjp s LYS 69 N -3.39 1.53 0.05 1.70 -0.14 -1.26 -3.25 119.74 114.98 2kjp s LYS 69 Ca 0.71 -1.83 0.08 0.00 -1.36 0.00 0.00 55.97 53.58 2kjp s LYS 69 Cb -0.23 -0.67 -0.03 0.00 -1.68 0.00 0.00 37.83 35.23 2kjp s LYS 69 CO 0.28 -0.19 -0.24 1.14 -0.76 0.00 0.00 175.35 175.58 2kjp s GLN 70 N -3.92 1.55 0.54 1.68 -2.07 -1.26 -4.16 119.66 112.03 2kjp s GLN 70 Ca 0.35 -1.05 -0.21 0.00 -1.82 0.00 0.00 55.36 52.63 2kjp s GLN 70 Cb 0.08 -1.73 -0.06 0.00 -1.09 0.00 0.00 33.01 30.21 2kjp s GLN 70 CO 0.14 0.44 1.19 1.19 -1.32 0.00 0.00 175.29 176.93 2kjp n PHE 71 N 1.71 1.70 0.00 9.60 3.72 -1.25 -4.97 117.46 127.97 2kjp n PHE 71 Ca -0.17 0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 2kjp n PHE 71 Cb 0.53 -2.28 0.00 0.00 -0.94 0.00 0.00 39.48 36.79 2kjp n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kjp n PRO 72 N -0.82 0.00 0.00 -1.08 -0.04 -1.26 -3.31 135.00 128.49 2kjp n PRO 72 Ca 0.11 0.34 0.01 0.00 -0.04 0.00 0.00 63.50 63.92 2kjp n PRO 72 Cb 0.44 -1.11 0.06 0.00 -0.04 0.00 0.00 33.50 32.85 2kjp n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kjp n ASP 73 N -1.51 0.00 -3.38 3.54 8.00 -1.26 -3.27 116.55 118.67 2kjp n ASP 73 Ca 0.00 0.35 -0.26 0.00 0.71 0.00 0.00 54.79 55.59 2kjp n ASP 73 Cb 0.00 -0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 40.65 2kjp n ASP 73 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kjp n GLU 74 N -1.37 1.39 0.03 -1.24 4.71 -1.24 -4.93 120.64 117.99 2kjp n GLU 74 Ca 0.01 -3.86 0.13 0.00 -0.01 0.00 0.00 57.16 53.44 2kjp n GLU 74 Cb 0.02 -1.75 0.48 0.00 -1.01 0.00 0.00 31.44 29.18 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2kjp n PRO 75 N 1.47 0.08 -0.03 3.49 -0.04 -1.20 -3.25 135.00 135.51 2kjp n PRO 75 Ca 0.25 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 2kjp n PRO 75 Cb 0.46 -1.58 0.39 0.00 -0.04 0.00 0.00 33.50 32.73 2kjp n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kjp n ASP 76 N -1.71 1.98 -4.00 3.54 8.00 -1.26 -4.89 116.55 118.21 2kjp n ASP 76 Ca 0.06 -1.68 -0.09 0.00 0.71 0.00 0.00 54.79 53.79 2kjp n ASP 76 Cb 0.37 -0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.32 2kjp n ASP 76 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kjp s ARG 77 N -1.92 0.37 0.00 -1.24 0.52 -1.20 -5.17 118.95 110.31 2kjp s ARG 77 Ca 0.35 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2kjp s ARG 77 Cb 0.20 0.06 -0.00 0.00 0.52 0.00 0.00 34.95 35.73 2kjp s ARG 77 CO 0.31 -0.04 -0.01 0.00 0.02 0.00 0.00 175.30 175.58 2kjp s ALA 78 N -1.66 0.07 0.04 2.13 0.00 -1.26 -4.27 121.76 116.80 2kjp s ALA 78 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2kjp s ALA 78 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2kjp s ALA 78 CO -0.02 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2kjp n GLY 79 N 2.99 -1.93 3.77 0.00 0.00 -1.26 -4.45 105.19 104.31 2kjp n GLY 79 Ca -0.13 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 2kjp n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kjp s ILE 80 N -0.57 2.19 0.00 -0.61 2.07 -1.26 -4.95 121.20 118.07 2kjp s ILE 80 Ca 0.00 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 2kjp s ILE 80 Cb 0.00 -3.10 0.00 0.00 0.13 0.00 0.00 42.46 39.49 2kjp s ILE 80 CO 0.00 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 2kjp n GLY 81 N 0.60 -1.93 3.19 1.50 0.00 -1.26 -5.04 105.19 102.26 2kjp n GLY 81 Ca 0.05 0.89 -0.12 0.00 0.00 0.00 0.00 46.02 46.85 2kjp n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kjp s VAL 82 N 0.00 0.55 -1.53 1.61 -7.23 -1.26 -4.82 120.40 107.72 2kjp s VAL 82 Ca 0.00 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2kjp s VAL 82 Cb 0.00 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 35.00 2kjp s VAL 82 CO 0.00 -0.62 0.00 -1.54 -0.31 0.00 0.00 175.10 172.63 2kjp n SER 83 N -0.13 -4.25 -0.24 4.85 3.41 -1.26 -4.83 113.62 111.17 2kjp n SER 83 Ca -0.08 0.30 -0.07 0.00 -0.26 0.00 0.00 58.87 58.76 2kjp n SER 83 Cb 0.62 -3.78 0.04 0.00 -0.26 0.00 0.00 64.21 60.84 2kjp n SER 83 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2kjp h LEU 84 N 0.00 0.90-10.22 1.04 3.38 -2.04 -3.43 115.31 104.94 2kjp h LEU 84 Ca -0.33 -0.15 -0.51 0.00 0.09 0.00 0.00 57.88 56.97 2kjp h LEU 84 Cb 1.09 -0.23 0.12 0.00 0.09 0.00 0.00 40.66 41.73 2kjp h LEU 84 CO 0.45 0.80 0.36 -1.61 0.09 0.00 0.00 178.44 178.54 2kjp s GLU 85 N -5.63 2.56 0.00 1.13 2.02 -1.26 -4.96 118.70 112.56 2kjp s GLU 85 Ca -0.13 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.27 2kjp s GLU 85 Cb 0.14 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.46 2kjp s GLU 85 CO 0.80 -1.44 0.65 -2.39 0.02 0.00 0.00 175.26 172.91 2kjp n HIS 86 N -2.71 0.00 -0.32 1.61 1.44 -1.26 -4.95 115.22 109.03 2kjp n HIS 86 Ca 0.11 -0.12 -0.01 0.00 -2.01 0.00 0.00 57.72 55.68 2kjp n HIS 86 Cb 0.52 0.29 0.16 0.00 0.12 0.00 0.00 29.99 31.08 2kjp n HIS 86 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 2kjp h HIS 87 N 0.02 1.14 -2.56 -1.40 2.07 -2.00 -3.48 115.15 108.94 2kjp h HIS 87 Ca -0.14 0.03 0.30 0.00 -2.85 0.00 0.00 60.37 57.71 2kjp h HIS 87 Cb 1.13 -0.39 -0.07 0.00 2.57 0.00 0.00 27.41 30.65 2kjp h HIS 87 CO -0.24 0.72 -0.39 1.58 -3.07 0.00 0.00 177.93 176.53 2kjp n HIS 88 N -4.40 -3.23 -3.06 6.12 -0.00 -1.26 -4.95 115.22 104.44 2kjp n HIS 88 Ca 0.11 1.36 -0.18 0.00 0.46 0.00 0.00 57.72 59.47 2kjp n HIS 88 Cb 0.02 -2.49 0.02 0.00 -0.12 0.00 0.00 29.99 27.41 2kjp n HIS 88 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kjp n HIS 89 N -3.41 -3.23 -0.22 1.57 8.25 -1.26 -4.89 115.22 112.03 2kjp n HIS 89 Ca 0.01 1.32 -0.07 0.00 -0.26 0.00 0.00 57.72 58.72 2kjp n HIS 89 Cb 0.50 -3.34 0.07 0.00 1.12 0.00 0.00 29.99 28.34 2kjp n HIS 89 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kjp h HIS 90 N 2.07 1.13 0.00 4.41 -0.00 -2.04 -3.55 115.15 117.17 2kjp h HIS 90 Ca -0.18 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 2kjp h HIS 90 Cb 1.11 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 2kjp h HIS 90 CO 0.07 0.94 0.00 -2.39 -0.00 0.00 0.00 177.93 176.55