#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 -1.16 2.23 8.20 0.00 -1.26 -2.60 105.19 110.60 2kjp n GLY 2 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 46.02 46.92 2kjp n GLY 2 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kjp n ILE 3 N -1.01 0.00 -3.37 -0.61 -5.35 -1.26 -4.81 119.36 102.94 2kjp n ILE 3 Ca 0.02 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.50 2kjp n ILE 3 Cb 0.51 -0.01 -0.03 0.00 -1.74 0.00 0.00 39.64 38.37 2kjp n ILE 3 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2kjp s TYR 4 N -1.71 -1.38 0.84 4.28 2.02 -1.07 -4.55 117.35 115.78 2kjp s TYR 4 Ca 0.02 1.81 -0.12 0.00 -0.37 0.00 0.00 57.07 58.41 2kjp s TYR 4 Cb -0.01 0.57 0.09 0.00 -0.40 0.00 0.00 41.96 42.21 2kjp s TYR 4 CO 0.02 -0.76 1.10 0.00 -1.57 0.00 0.00 175.55 174.34 2kjp s ALA 5 N 2.82 2.00 0.00 3.71 0.00 -1.12 -4.45 121.76 124.73 2kjp s ALA 5 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2kjp s ALA 5 Cb -0.14 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2kjp s ALA 5 CO -0.19 -1.97 0.00 -1.13 0.00 0.00 0.00 175.76 172.47 2kjp n SER 6 N -3.59 0.00 -3.26 0.00 3.41 -1.26 -2.92 113.62 105.99 2kjp n SER 6 Ca 0.07 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.71 2kjp n SER 6 Cb 0.57 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 2kjp n SER 6 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2kjp s SER 7 N -1.65 -0.52 0.07 4.04 1.04 -1.26 -4.19 113.70 111.24 2kjp s SER 7 Ca 0.00 0.51 0.05 0.00 0.48 0.00 0.00 55.95 56.99 2kjp s SER 7 Cb 0.00 1.51 -0.03 0.00 0.10 0.00 0.00 66.02 67.60 2kjp s SER 7 CO 0.00 -0.10 -0.13 0.68 0.98 0.00 0.00 173.24 174.67 2kjp s VAL 8 N 2.64 1.04 0.45 5.02 -7.23 -1.26 -5.01 120.40 116.05 2kjp s VAL 8 Ca -0.00 -1.34 -0.25 0.00 -1.81 0.00 0.00 61.98 58.58 2kjp s VAL 8 Cb -0.08 -1.07 -0.08 0.00 0.56 0.00 0.00 36.38 35.71 2kjp s VAL 8 CO -0.15 -0.29 1.40 0.54 -0.31 0.00 0.00 175.10 176.29 2kjp s VAL 9 N -1.46 2.18 -0.47 1.32 0.11 -1.26 -4.97 120.40 115.85 2kjp s VAL 9 Ca -0.02 0.16 -0.16 0.00 -2.93 0.00 0.00 61.98 59.03 2kjp s VAL 9 Cb -0.09 -3.09 0.06 0.00 -1.53 0.00 0.00 36.38 31.73 2kjp s VAL 9 CO 0.02 0.02 0.43 -0.70 -3.33 0.00 0.00 175.10 171.54 2kjp s GLU 10 N -2.45 3.01 0.00 1.54 2.12 -1.26 -4.80 118.70 116.86 2kjp s GLU 10 Ca 0.61 -1.23 0.01 0.00 0.36 0.00 0.00 54.97 54.72 2kjp s GLU 10 Cb -0.42 -4.11 0.01 0.00 0.26 0.00 0.00 34.13 29.87 2kjp s GLU 10 CO 0.54 -1.04 0.75 0.27 -0.54 0.00 0.00 175.26 175.25 2kjp n ASN 11 N 5.38 -0.00 -4.14 -1.70 6.94 -1.26 -5.12 115.26 115.36 2kjp n ASN 11 Ca -0.11 -1.50 -0.24 0.00 -0.02 0.00 0.00 54.58 52.71 2kjp n ASN 11 Cb 0.44 -0.09 -0.09 0.00 -2.36 0.00 0.00 39.78 37.69 2kjp n ASN 11 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2kjp s MET 12 N 0.00 1.83 0.53 -3.83 1.00 -1.26 -4.85 119.30 112.73 2kjp s MET 12 Ca 0.01 -2.09 0.19 0.00 0.00 0.00 0.00 55.69 53.79 2kjp s MET 12 Cb 0.01 -0.55 1.37 0.00 0.00 0.00 0.00 34.83 35.66 2kjp s MET 12 CO -0.00 -0.43 2.16 -1.35 0.00 0.00 0.00 175.02 175.39 2kjp h PRO 13 N 1.91 0.00 -0.26 2.03 0.11 -1.95 -3.45 132.00 130.39 2kjp h PRO 13 Ca -0.36 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 2kjp h PRO 13 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2kjp h PRO 13 CO 0.58 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.34 2kjp n ALA 14 N -2.51 -0.02 -2.58 -0.75 0.00 -1.26 -4.84 120.51 108.55 2kjp n ALA 14 Ca -0.02 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2kjp n ALA 14 Cb 0.13 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.13 4.05 0.00 0.00 2.20 -1.26 -3.55 119.74 120.04 2kjp s LYS 15 Ca 0.00 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 2kjp s LYS 15 Cb 0.00 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 2kjp s LYS 15 CO 0.00 -0.93 0.00 0.41 -0.36 0.00 0.00 175.35 174.47 2kjp n GLY 16 N 3.93 1.53 2.72 5.54 0.00 -1.26 -4.90 105.19 112.74 2kjp n GLY 16 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.05 0.62 0.12 1.61 -2.85 -1.23 -4.75 119.74 113.21 2kjp s LYS 17 Ca 0.00 -0.59 0.05 0.00 -1.00 0.00 0.00 55.97 54.43 2kjp s LYS 17 Cb 0.00 -1.99 -0.04 0.00 -2.06 0.00 0.00 37.83 33.74 2kjp s LYS 17 CO 0.00 -0.76 -0.12 -1.50 0.10 0.00 0.00 175.35 173.07 2kjp s ILE 18 N 1.82 1.19 -0.23 3.79 2.07 -1.26 -4.32 121.20 124.25 2kjp s ILE 18 Ca 0.03 -1.78 -0.04 0.00 -1.41 0.00 0.00 60.65 57.44 2kjp s ILE 18 Cb -0.17 -1.56 0.08 0.00 0.13 0.00 0.00 42.46 40.94 2kjp s ILE 18 CO -0.15 -0.54 0.10 -1.61 -1.91 0.00 0.00 174.94 170.83 2kjp s GLU 19 N -2.97 0.25 -0.51 3.50 2.02 -1.26 -4.90 118.70 114.83 2kjp s GLU 19 Ca 0.10 -0.39 0.07 0.00 0.02 0.00 0.00 54.97 54.76 2kjp s GLU 19 Cb -0.03 -1.62 0.20 0.00 0.10 0.00 0.00 34.13 32.79 2kjp s GLU 19 CO 0.02 -0.83 0.76 0.28 0.02 0.00 0.00 175.26 175.51 2kjp n VAL 20 N 5.20 -0.04 0.00 2.63 0.31 -1.26 -4.34 118.33 120.83 2kjp n VAL 20 Ca -0.06 -1.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.04 2kjp n VAL 20 Cb 0.45 1.05 0.00 0.00 -0.91 0.00 0.00 33.84 34.43 2kjp n VAL 20 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kjp n GLY 21 N 2.56 2.94 3.72 2.92 0.00 -1.15 -4.75 105.19 111.43 2kjp n GLY 21 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.43 4.05 -0.04 1.61 1.01 -1.26 -4.62 116.67 115.99 2kjp s ASP 22 Ca 0.00 2.39 0.02 0.00 0.71 0.00 0.00 52.55 55.67 2kjp s ASP 22 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2kjp s ASP 22 CO 0.00 -2.36 -0.07 -0.54 0.21 0.00 0.00 175.17 172.41 2kjp s LYS 23 N -3.92 2.68 -0.19 8.23 1.02 -1.26 -2.79 119.74 123.51 2kjp s LYS 23 Ca 0.75 -0.61 -0.06 0.00 0.02 0.00 0.00 55.97 56.08 2kjp s LYS 23 Cb -0.30 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 2kjp s LYS 23 CO 0.46 0.64 0.01 0.96 -0.92 0.00 0.00 175.35 176.51 2kjp s ILE 24 N -0.88 4.18 -0.12 2.17 -0.00 -1.26 -2.91 121.20 122.39 2kjp s ILE 24 Ca 0.14 -0.24 -0.21 0.00 -0.00 0.00 0.00 60.65 60.34 2kjp s ILE 24 Cb -0.11 -2.88 -0.26 0.00 -0.00 0.00 0.00 42.46 39.20 2kjp s ILE 24 CO 0.04 0.44 0.62 0.40 -0.00 0.00 0.00 174.94 176.44 2kjp h ILE 25 N 5.21 1.30 -2.25 8.37 2.04 -1.94 -3.49 117.51 126.74 2kjp h ILE 25 Ca -0.35 -2.38 0.10 0.00 1.00 0.00 0.00 64.86 63.23 2kjp h ILE 25 Cb 1.18 2.90 -0.16 0.00 -0.74 0.00 0.00 36.82 40.00 2kjp h ILE 25 CO 0.63 0.62 0.48 -0.94 0.00 0.00 0.00 178.15 178.95 2kjp s SER 26 N -6.80 -0.38 -0.08 1.72 1.04 -1.26 -4.79 113.70 103.15 2kjp s SER 26 Ca -0.20 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.31 2kjp s SER 26 Cb 0.02 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 2kjp s SER 26 CO 0.73 -0.61 -0.21 0.00 0.98 0.00 0.00 173.24 174.13 2kjp s ALA 27 N -2.99 2.35 -1.48 5.32 0.00 -0.97 -2.49 121.76 121.50 2kjp s ALA 27 Ca 0.04 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 2kjp s ALA 27 Cb -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.28 2kjp s ALA 27 CO -0.08 0.39 0.49 -3.47 0.00 0.00 0.00 175.76 173.09 2kjp n ASP 28 N 3.03 -5.36 0.00 0.00 2.03 0.18 -0.30 116.55 116.13 2kjp n ASP 28 Ca -0.18 -0.26 0.00 0.00 0.52 0.00 0.00 54.79 54.87 2kjp n ASP 28 Cb 0.52 -4.37 0.00 0.00 -0.72 0.00 0.00 41.12 36.55 2kjp n ASP 28 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kjp n GLY 29 N -1.35 0.42 3.69 0.27 0.00 -1.26 -4.94 105.19 102.01 2kjp n GLY 29 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.58 4.15 0.58 1.61 2.47 0.59 -5.07 119.74 123.49 2kjp s LYS 30 Ca 0.00 -0.07 -0.05 0.00 -1.56 0.00 0.00 55.97 54.29 2kjp s LYS 30 Cb 0.00 -3.50 0.01 0.00 -1.46 0.00 0.00 37.83 32.89 2kjp s LYS 30 CO 0.00 0.11 0.87 0.54 0.16 0.00 0.00 175.35 177.03 2kjp s ASN 31 N 0.82 5.55 -0.13 1.43 2.20 -1.26 -2.28 114.94 121.27 2kjp s ASN 31 Ca 0.12 0.59 -0.06 0.00 -0.94 0.00 0.00 52.86 52.57 2kjp s ASN 31 Cb -0.13 -1.59 0.05 0.00 -2.00 0.00 0.00 41.25 37.58 2kjp s ASN 31 CO 0.04 -1.06 0.30 -0.31 -2.94 0.00 0.00 177.10 173.13 2kjp s TYR 32 N -2.93 -0.43 -0.01 1.54 2.02 -1.26 -4.99 117.35 111.29 2kjp s TYR 32 Ca 0.54 0.97 -0.03 0.00 -0.37 0.00 0.00 57.07 58.17 2kjp s TYR 32 Cb -0.10 0.10 -0.02 0.00 -0.40 0.00 0.00 41.96 41.54 2kjp s TYR 32 CO 0.44 -0.29 0.47 1.96 -1.57 0.00 0.00 175.55 176.56 2kjp h GLN 33 N 7.35 -0.11 -6.60 -0.62 4.20 -2.00 -3.45 115.11 113.88 2kjp h GLN 33 Ca -0.36 0.01 -0.51 0.00 0.06 0.00 0.00 58.65 57.85 2kjp h GLN 33 Cb 1.16 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 2kjp h GLN 33 CO 0.32 -0.07 0.21 -1.12 -0.67 0.00 0.00 178.83 177.49 2kjp s SER 34 N -3.03 7.36 0.36 1.46 0.01 -1.26 -4.96 113.70 113.63 2kjp s SER 34 Ca -0.02 1.66 0.03 0.00 1.31 0.00 0.00 55.95 58.94 2kjp s SER 34 Cb 0.00 -2.51 0.66 0.00 0.21 0.00 0.00 66.02 64.39 2kjp s SER 34 CO 0.05 0.14 2.00 0.00 0.41 0.00 0.00 173.24 175.85 2kjp h ALA 35 N 4.01 1.55 -0.95 1.44 0.00 -1.97 -2.28 119.26 121.06 2kjp h ALA 35 Ca -0.47 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.52 2kjp h ALA 35 Cb 1.20 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 2kjp h ALA 35 CO 0.66 0.40 0.60 0.93 0.00 0.00 0.00 179.25 181.84 2kjp h GLU 36 N 0.79 0.81 -0.74 0.00 4.39 -1.99 -0.00 114.58 117.83 2kjp h GLU 36 Ca 0.21 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2kjp h GLU 36 Cb -0.05 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.38 2kjp h GLU 36 CO -0.04 0.53 0.29 0.87 -1.16 0.00 0.00 179.01 179.50 2kjp h LYS 37 N 0.83 1.11 -0.55 2.33 1.79 -1.81 -1.57 116.57 118.70 2kjp h LYS 37 Ca 0.48 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.71 2kjp h LYS 37 Cb 0.63 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 2kjp h LYS 37 CO -0.24 0.91 0.23 1.25 -1.08 0.00 0.00 179.45 180.52 2kjp h LEU 38 N 1.07 0.76 -0.16 2.94 5.85 -1.04 0.88 115.31 125.60 2kjp h LEU 38 Ca 0.25 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2kjp h LEU 38 Cb 0.22 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2kjp h LEU 38 CO -0.02 0.71 0.08 0.40 -0.34 0.00 0.00 178.44 179.28 2kjp h ILE 39 N 0.75 1.12 -0.45 4.05 2.04 -1.14 -2.61 117.51 121.27 2kjp h ILE 39 Ca 0.18 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2kjp h ILE 39 Cb 0.19 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2kjp h ILE 39 CO -0.02 0.11 0.15 0.44 0.00 0.00 0.00 178.15 178.83 2kjp h ASP 40 N 0.15 0.61 -0.72 1.72 3.32 -1.09 -2.66 116.42 117.74 2kjp h ASP 40 Ca 0.06 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.07 2kjp h ASP 40 Cb 0.10 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 2kjp h ASP 40 CO -0.01 0.58 0.44 0.22 -1.72 0.00 0.00 179.24 178.74 2kjp h TYR 41 N 0.65 0.81 -0.58 4.55 3.20 -0.44 -1.59 116.97 123.56 2kjp h TYR 41 Ca 0.15 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2kjp h TYR 41 Cb 0.19 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 2kjp h TYR 41 CO 0.01 0.42 0.31 0.82 -1.64 0.00 0.00 178.16 178.08 2kjp h ILE 42 N 0.82 1.20 -1.59 1.81 1.08 -1.28 -3.46 117.51 116.09 2kjp h ILE 42 Ca 0.31 -0.52 -0.28 0.00 -0.39 0.00 0.00 64.86 63.98 2kjp h ILE 42 Cb 0.11 0.47 -0.10 0.00 -3.07 0.00 0.00 36.82 34.24 2kjp h ILE 42 CO -0.15 0.22 -0.26 -1.20 -0.69 0.00 0.00 178.15 176.07 2kjp n SER 43 N -4.57 -3.64 -0.55 1.72 7.64 -0.60 0.20 113.62 113.83 2kjp n SER 43 Ca 0.04 0.32 -0.07 0.00 1.01 0.00 0.00 58.87 60.16 2kjp n SER 43 Cb 0.10 -3.36 -0.03 0.00 -1.01 0.00 0.00 64.21 59.91 2kjp n SER 43 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2kjp n SER 44 N -0.68 -4.91 -2.87 6.43 3.41 -1.26 -4.56 113.62 109.18 2kjp n SER 44 Ca -0.14 0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 2kjp n SER 44 Cb 0.46 -3.04 -0.03 0.00 -0.26 0.00 0.00 64.21 61.34 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 -1.39 1.48 -4.16 4.33 5.02 0.13 -4.80 118.16 118.78 2kjp n LYS 45 Ca -0.07 -1.03 -0.34 0.00 -2.02 0.00 0.00 58.31 54.85 2kjp n LYS 45 Cb 0.41 -2.17 -0.15 0.00 -0.02 0.00 0.00 35.03 33.10 2kjp n LYS 45 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2kjp s LYS 46 N 3.17 3.29 0.00 1.97 -2.85 -1.26 -4.74 119.74 119.32 2kjp s LYS 46 Ca 0.32 -0.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 2kjp s LYS 46 Cb 0.10 -2.82 0.00 0.00 -2.06 0.00 0.00 37.83 33.05 2kjp s LYS 46 CO -0.02 -0.11 0.00 0.00 0.10 0.00 0.00 175.35 175.33 2kjp n ALA 47 N 4.46 0.00 0.00 0.59 0.00 -1.25 -4.26 120.51 120.05 2kjp n ALA 47 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2kjp n ALA 47 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 2.21 3.76 0.00 0.00 -1.19 -4.97 105.19 105.00 2kjp n GLY 48 Ca 0.00 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 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 0.15 5.42 0.12 1.61 1.01 -1.26 -4.73 116.67 118.99 2kjp s ASP 49 Ca 0.00 2.39 0.07 0.00 0.71 0.00 0.00 52.55 55.72 2kjp s ASP 49 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2kjp s ASP 49 CO 0.00 -1.43 -0.08 -0.54 0.21 0.00 0.00 175.17 173.33 2kjp s LYS 50 N -3.17 2.18 -0.00 8.23 1.02 -1.26 -2.05 119.74 124.69 2kjp s LYS 50 Ca 0.74 -1.05 -0.28 0.00 0.02 0.00 0.00 55.97 55.40 2kjp s LYS 50 Cb -0.30 -2.31 0.09 0.00 -0.52 0.00 0.00 37.83 34.78 2kjp s LYS 50 CO 0.34 0.50 0.78 0.54 -0.92 0.00 0.00 175.35 176.59 2kjp s VAL 51 N -1.34 0.00 -0.24 3.17 0.11 -1.26 -5.02 120.40 115.83 2kjp s VAL 51 Ca 0.23 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.21 2kjp s VAL 51 Cb -0.11 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 2kjp s VAL 51 CO 0.15 0.00 0.06 -0.89 -3.33 0.00 0.00 175.10 171.09 2kjp s THR 52 N -2.45 4.29 -0.15 5.04 2.01 -1.26 -4.55 115.64 118.58 2kjp s THR 52 Ca -0.01 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 2kjp s THR 52 Cb -0.01 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 2kjp s THR 52 CO -0.04 0.36 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.41 2kjp s LEU 53 N 1.42 2.95 -0.21 4.42 1.02 -1.26 0.47 118.68 127.48 2kjp s LEU 53 Ca 0.05 -0.25 -0.17 0.00 0.02 0.00 0.00 54.13 53.78 2kjp s LEU 53 Cb -0.15 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 2kjp s LEU 53 CO 0.03 0.15 0.47 -0.75 0.02 0.00 0.00 176.35 176.28 2kjp s LYS 54 N 0.43 4.15 0.26 1.70 2.47 -1.04 -4.80 119.74 122.91 2kjp s LYS 54 Ca -0.07 0.31 0.09 0.00 -1.56 0.00 0.00 55.97 54.74 2kjp s LYS 54 Cb -0.15 -3.57 -0.05 0.00 -1.46 0.00 0.00 37.83 32.59 2kjp s LYS 54 CO 0.04 -0.15 -0.14 0.42 0.16 0.00 0.00 175.35 175.67 2kjp s ILE 55 N 1.67 2.03 -0.04 5.43 -1.09 -1.26 -3.58 121.20 124.36 2kjp s ILE 55 Ca 0.21 -2.27 0.03 0.00 -2.23 0.00 0.00 60.65 56.40 2kjp s ILE 55 Cb -0.15 -2.26 0.01 0.00 -1.58 0.00 0.00 42.46 38.47 2kjp s ILE 55 CO 0.09 -0.44 -0.10 -0.70 -1.23 0.00 0.00 174.94 172.55 2kjp s GLU 56 N -3.61 1.19 -0.05 2.79 2.12 -1.14 -3.17 118.70 116.83 2kjp s GLU 56 Ca 0.27 -0.35 -0.02 0.00 0.36 0.00 0.00 54.97 55.23 2kjp s GLU 56 Cb -0.01 -1.07 0.04 0.00 0.26 0.00 0.00 34.13 33.34 2kjp s GLU 56 CO 0.11 0.11 0.11 1.03 -0.54 0.00 0.00 175.26 176.08 2kjp s ARG 57 N 0.29 0.05 -1.54 4.30 0.52 0.11 -4.14 118.95 118.54 2kjp s ARG 57 Ca -0.06 0.31 -0.04 0.00 -0.52 0.00 0.00 55.73 55.42 2kjp s ARG 57 Cb -0.11 -0.20 0.04 0.00 0.52 0.00 0.00 34.95 35.20 2kjp s ARG 57 CO 0.01 -0.17 0.30 -1.91 0.02 0.00 0.00 175.30 173.56 2kjp n GLU 58 N 4.19 -2.11 -1.96 3.54 2.13 -1.26 0.11 120.64 125.28 2kjp n GLU 58 Ca -0.27 0.25 -0.21 0.00 0.66 0.00 0.00 57.16 57.59 2kjp n GLU 58 Cb 0.51 -4.22 -0.05 0.00 0.27 0.00 0.00 31.44 27.95 2kjp n GLU 58 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kjp n GLU 59 N -4.45 -1.56 -4.45 5.31 -0.58 -1.26 -4.97 120.64 108.68 2kjp n GLU 59 Ca -0.24 1.14 -0.22 0.00 -0.42 0.00 0.00 57.16 57.42 2kjp n GLU 59 Cb 0.65 -5.66 -0.16 0.00 -0.57 0.00 0.00 31.44 25.70 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2kjp s LYS 60 N -4.35 1.27 0.46 3.49 1.02 0.31 -5.15 119.74 116.80 2kjp s LYS 60 Ca 0.00 -0.32 -0.04 0.00 0.02 0.00 0.00 55.97 55.63 2kjp s LYS 60 Cb 0.00 -1.12 -0.03 0.00 -0.52 0.00 0.00 37.83 36.15 2kjp s LYS 60 CO 0.00 0.04 0.75 -1.83 -0.92 0.00 0.00 175.35 173.40 2kjp s GLU 61 N 0.53 3.52 0.01 1.68 -1.05 -1.26 0.07 118.70 122.20 2kjp s GLU 61 Ca -0.10 0.11 -0.00 0.00 -0.15 0.00 0.00 54.97 54.84 2kjp s GLU 61 Cb -0.13 -2.42 -0.01 0.00 -0.44 0.00 0.00 34.13 31.13 2kjp s GLU 61 CO 0.02 -0.16 -0.02 -1.59 0.95 0.00 0.00 175.26 174.46 2kjp s LYS 62 N -4.68 0.19 -0.14 -4.83 -2.85 -1.19 -4.94 119.74 101.29 2kjp s LYS 62 Ca 0.46 -0.36 -0.01 0.00 -1.00 0.00 0.00 55.97 55.06 2kjp s LYS 62 Cb -0.10 0.07 0.04 0.00 -2.06 0.00 0.00 37.83 35.77 2kjp s LYS 62 CO 0.44 -0.03 -0.03 1.03 0.10 0.00 0.00 175.35 176.85 2kjp s ARG 63 N -0.86 1.17 -0.02 1.78 0.52 -1.26 -4.18 118.95 116.10 2kjp s ARG 63 Ca -0.09 -0.33 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 2kjp s ARG 63 Cb -0.06 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.67 2kjp s ARG 63 CO -0.01 -0.41 0.07 0.08 0.02 0.00 0.00 175.30 175.06 2kjp s VAL 64 N 1.75 0.02 -0.28 3.52 1.01 -1.26 -5.14 120.40 120.02 2kjp s VAL 64 Ca 0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2kjp s VAL 64 Cb -0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 2kjp s VAL 64 CO -0.07 -0.10 0.12 -0.89 0.00 0.00 0.00 175.10 174.16 2kjp s THR 65 N -0.28 4.50 0.19 3.92 2.01 -1.26 -4.72 115.64 120.01 2kjp s THR 65 Ca -0.03 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.72 2kjp s THR 65 Cb -0.02 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 2kjp s THR 65 CO 0.00 0.20 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.90 2kjp s LEU 66 N 1.62 2.20 -0.20 4.42 2.96 -1.26 -5.12 118.68 123.30 2kjp s LEU 66 Ca 0.05 -1.17 -0.11 0.00 -0.22 0.00 0.00 54.13 52.68 2kjp s LEU 66 Cb -0.16 -0.18 -0.05 0.00 0.50 0.00 0.00 46.19 46.30 2kjp s LEU 66 CO 0.05 -0.51 0.19 -0.89 -1.32 0.00 0.00 176.35 173.87 2kjp s THR 67 N -3.52 5.36 1.10 3.68 2.01 -1.26 -4.19 115.64 118.83 2kjp s THR 67 Ca 0.25 0.30 -0.14 0.00 0.31 0.00 0.00 61.69 62.40 2kjp s THR 67 Cb 0.05 -3.53 0.19 0.00 0.01 0.00 0.00 72.50 69.23 2kjp s THR 67 CO 0.05 0.39 0.69 0.18 -0.69 0.00 0.00 174.62 175.25 2kjp n LEU 68 N 3.80 -0.90 -4.16 4.42 4.77 -0.87 -4.85 117.00 119.21 2kjp n LEU 68 Ca -0.14 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 2kjp n LEU 68 Cb 0.52 -1.20 -0.09 0.00 -2.33 0.00 0.00 43.42 40.31 2kjp n LEU 68 CO 0.37 -3.12 -0.20 -0.54 -1.33 0.00 0.00 177.39 172.58 2kjp s LYS 69 N -4.09 1.18 0.02 3.23 -0.14 -1.26 -3.17 119.74 115.51 2kjp s LYS 69 Ca 0.64 -1.53 0.04 0.00 -1.36 0.00 0.00 55.97 53.76 2kjp s LYS 69 Cb -0.21 0.29 -0.02 0.00 -1.68 0.00 0.00 37.83 36.21 2kjp s LYS 69 CO 0.65 -0.39 -0.12 1.14 -0.76 0.00 0.00 175.35 175.86 2kjp s GLN 70 N -4.11 0.86 0.33 1.68 -2.07 -1.26 -4.18 119.66 110.91 2kjp s GLN 70 Ca 0.33 -0.62 -0.24 0.00 -1.82 0.00 0.00 55.36 53.00 2kjp s GLN 70 Cb 0.06 -0.84 -0.15 0.00 -1.09 0.00 0.00 33.01 30.99 2kjp s GLN 70 CO 0.09 0.21 0.39 1.19 -1.32 0.00 0.00 175.29 175.86 2kjp n PHE 71 N 2.18 -0.98 0.11 9.60 3.72 -1.26 -4.95 117.46 125.88 2kjp n PHE 71 Ca -0.17 0.75 -0.05 0.00 -0.05 0.00 0.00 57.45 57.93 2kjp n PHE 71 Cb 0.55 -1.92 -0.02 0.00 -0.94 0.00 0.00 39.48 37.15 2kjp n PHE 71 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kjp h PRO 72 N 0.77 -0.32 -0.44 -1.08 0.13 -1.95 -3.33 132.00 125.78 2kjp h PRO 72 Ca -0.35 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2kjp h PRO 72 Cb 1.43 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.63 2kjp h PRO 72 CO 0.52 -0.21 0.00 -3.47 -0.23 0.00 0.00 178.00 174.61 2kjp n ASP 73 N -4.17 0.44 -3.07 1.44 2.03 -1.26 -3.92 116.55 108.04 2kjp n ASP 73 Ca -0.04 -1.90 -0.17 0.00 0.52 0.00 0.00 54.79 53.20 2kjp n ASP 73 Cb 0.13 -0.22 -0.01 0.00 -0.72 0.00 0.00 41.12 40.30 2kjp n ASP 73 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kjp n GLU 74 N -0.26 0.89 0.27 -0.67 1.02 -1.25 -4.96 120.64 115.67 2kjp n GLU 74 Ca 0.00 -2.92 0.16 0.00 -0.02 0.00 0.00 57.16 54.38 2kjp n GLU 74 Cb 0.11 -1.43 0.63 0.00 -0.02 0.00 0.00 31.44 30.73 2kjp n GLU 74 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2kjp h PRO 75 N 3.38 0.00 -0.14 3.49 0.13 -1.68 -2.90 132.00 134.28 2kjp h PRO 75 Ca 0.03 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.00 2kjp h PRO 75 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2kjp h PRO 75 CO 0.41 0.03 -0.58 0.22 -0.23 0.00 0.00 178.00 177.85 2kjp h ASP 76 N 0.00 0.49 -3.51 1.44 3.58 -1.93 -3.44 116.42 113.06 2kjp h ASP 76 Ca -0.00 -0.27 -0.67 0.00 0.42 0.00 0.00 57.03 56.51 2kjp h ASP 76 Cb 0.57 -0.14 -0.16 0.00 1.72 0.00 0.00 39.33 41.32 2kjp h ASP 76 CO 0.00 0.96 -0.68 -0.60 -2.88 0.00 0.00 179.24 176.04 2kjp s ARG 77 N -3.89 2.59 -0.01 0.28 3.52 -1.10 -5.12 118.95 115.23 2kjp s ARG 77 Ca -0.06 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.82 2kjp s ARG 77 Cb 0.11 -2.54 0.01 0.00 -1.56 0.00 0.00 34.95 30.98 2kjp s ARG 77 CO 0.83 0.60 -0.01 0.00 -0.81 0.00 0.00 175.30 175.90 2kjp s ALA 78 N -1.07 0.24 0.00 6.12 0.00 -1.26 -4.50 121.76 121.30 2kjp s ALA 78 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2kjp s ALA 78 Cb -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2kjp s ALA 78 CO 0.10 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.26 2kjp n GLY 79 N 3.57 -1.06 3.71 0.00 0.00 -1.26 -4.66 105.19 105.50 2kjp n GLY 79 Ca -0.20 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 2kjp n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kjp s ILE 80 N 0.00 4.40 0.11 -0.61 1.01 -1.26 -4.85 121.20 120.01 2kjp s ILE 80 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.41 2kjp s ILE 80 Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2kjp s ILE 80 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2kjp n GLY 81 N 2.96 -1.50 3.42 6.18 0.00 -1.26 -4.99 105.19 110.00 2kjp n GLY 81 Ca 0.07 -1.14 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 2kjp n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjp s VAL 82 N -0.82 0.02 0.00 1.61 0.11 -1.26 -4.57 120.40 115.49 2kjp s VAL 82 Ca 0.00 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 2kjp s VAL 82 Cb 0.00 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 2kjp s VAL 82 CO 0.00 -0.09 0.00 -1.54 -3.33 0.00 0.00 175.10 170.14 2kjp n SER 83 N 1.16 0.00 -4.57 3.54 3.41 -1.26 -5.05 113.62 110.84 2kjp n SER 83 Ca -0.20 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.10 2kjp n SER 83 Cb 0.57 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 2kjp n SER 83 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kjp s LEU 84 N 0.00 3.25 -1.08 1.04 2.96 -1.26 -4.88 118.68 118.71 2kjp s LEU 84 Ca 0.00 -1.49 -0.23 0.00 -0.22 0.00 0.00 54.13 52.19 2kjp s LEU 84 Cb 0.00 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 2kjp s LEU 84 CO 0.00 -2.52 1.89 -0.70 -1.32 0.00 0.00 176.35 173.70 2kjp s GLU 85 N 6.11 2.72 -0.06 1.98 2.12 -1.26 -4.85 118.70 125.47 2kjp s GLU 85 Ca 0.64 -0.91 -0.23 0.00 0.36 0.00 0.00 54.97 54.83 2kjp s GLU 85 Cb -0.02 -5.21 0.05 0.00 0.26 0.00 0.00 34.13 29.21 2kjp s GLU 85 CO 0.06 -3.49 0.51 -1.01 -0.54 0.00 0.00 175.26 170.79 2kjp s HIS 86 N 9.68 -0.46 0.40 5.30 3.76 -1.26 -5.15 115.29 127.55 2kjp s HIS 86 Ca 0.66 0.83 -0.26 0.00 -0.15 0.00 0.00 55.06 56.14 2kjp s HIS 86 Cb -0.02 0.26 -0.09 0.00 1.11 0.00 0.00 32.58 33.84 2kjp s HIS 86 CO 0.06 -0.48 1.25 -1.01 -0.85 0.00 0.00 174.74 173.71 2kjp s HIS 87 N -1.04 2.94 0.37 1.40 3.76 -1.26 -4.96 115.29 116.49 2kjp s HIS 87 Ca -0.11 1.47 -0.28 0.00 -0.15 0.00 0.00 55.06 55.99 2kjp s HIS 87 Cb -0.03 -3.57 -0.10 0.00 1.11 0.00 0.00 32.58 29.99 2kjp s HIS 87 CO 0.06 -1.77 1.40 -3.38 -0.85 0.00 0.00 174.74 170.20 2kjp s HIS 88 N -1.30 2.76 0.60 1.40 -3.43 -1.26 -4.96 115.29 109.10 2kjp s HIS 88 Ca 0.56 1.28 -0.18 0.00 -0.80 0.00 0.00 55.06 55.92 2kjp s HIS 88 Cb -0.36 -3.86 -0.03 0.00 -1.43 0.00 0.00 32.58 26.90 2kjp s HIS 88 CO 0.45 -2.51 1.20 -1.58 -2.00 0.00 0.00 174.74 170.31 2kjp s HIS 89 N -1.15 2.38 0.00 0.38 2.46 -1.26 -4.84 115.29 113.26 2kjp s HIS 89 Ca 0.52 1.52 0.00 0.00 0.47 0.00 0.00 55.06 57.58 2kjp s HIS 89 Cb -0.43 -3.47 0.00 0.00 -0.13 0.00 0.00 32.58 28.55 2kjp s HIS 89 CO 0.58 -2.21 0.00 1.58 -2.47 0.00 0.00 174.74 172.22 2kjp n HIS 90 N -1.68 -0.81 -0.38 3.88 -0.00 -1.26 -5.25 115.22 109.72 2kjp n HIS 90 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 2kjp n HIS 90 Cb 0.50 0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.65 2kjp n HIS 90 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92