#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 -1.20 0.00 7.41 0.00 -1.26 -2.92 105.19 107.21 2kjp n GLY 2 Ca 0.00 -1.09 0.03 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.61 0.21 -3.58 -0.61 -5.35 -1.26 -4.61 119.36 102.55 2kjp n ILE 3 Ca 0.00 0.05 -0.06 0.00 -0.27 0.00 0.00 62.75 62.47 2kjp n ILE 3 Cb 0.01 -0.97 0.00 0.00 -1.74 0.00 0.00 39.64 36.94 2kjp n ILE 3 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2kjp n TYR 4 N -1.06 -1.31 -3.60 4.28 4.01 -1.15 -3.69 117.16 114.64 2kjp n TYR 4 Ca 0.04 -0.54 -0.12 0.00 -0.16 0.00 0.00 57.90 57.11 2kjp n TYR 4 Cb 0.02 -0.10 -0.12 0.00 -0.31 0.00 0.00 39.34 38.83 2kjp n TYR 4 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kjp s ALA 5 N -2.18 -0.71 -0.25 -0.72 0.00 -1.25 -4.21 121.76 112.44 2kjp s ALA 5 Ca 0.07 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 2kjp s ALA 5 Cb -0.01 -1.19 -0.15 0.00 0.00 0.00 0.00 23.12 21.77 2kjp s ALA 5 CO 0.05 -0.81 -0.24 -1.13 0.00 0.00 0.00 175.76 173.63 2kjp n SER 6 N 5.36 2.05 -3.73 0.00 3.41 -1.26 -1.40 113.62 118.04 2kjp n SER 6 Ca -0.06 -0.05 -0.04 0.00 -0.26 0.00 0.00 58.87 58.46 2kjp n SER 6 Cb 0.50 -0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 63.97 2kjp n SER 6 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kjp s SER 7 N -6.57 -0.20 0.01 4.04 0.01 -1.26 -4.84 113.70 104.90 2kjp s SER 7 Ca -0.34 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.57 2kjp s SER 7 Cb 0.10 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 2kjp s SER 7 CO 0.55 -0.88 -0.06 0.68 0.41 0.00 0.00 173.24 173.94 2kjp s VAL 8 N -3.28 0.44 -0.03 3.43 -7.23 -1.26 -4.80 120.40 107.67 2kjp s VAL 8 Ca 0.11 -0.55 -0.24 0.00 -1.81 0.00 0.00 61.98 59.50 2kjp s VAL 8 Cb -0.01 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.45 2kjp s VAL 8 CO 0.01 -0.08 0.71 -0.69 -0.31 0.00 0.00 175.10 174.74 2kjp s VAL 9 N -0.61 4.96 1.34 1.32 1.01 -1.26 -5.05 120.40 122.11 2kjp s VAL 9 Ca -0.03 1.48 -0.21 0.00 0.00 0.00 0.00 61.98 63.22 2kjp s VAL 9 Cb -0.05 -4.05 0.32 0.00 0.00 0.00 0.00 36.38 32.60 2kjp s VAL 9 CO 0.00 0.29 0.76 -1.84 0.00 0.00 0.00 175.10 174.31 2kjp n GLU 10 N 3.45 -4.02 -2.96 2.72 0.28 -1.26 -3.91 120.64 114.95 2kjp n GLU 10 Ca -0.02 -1.19 -0.22 0.00 -0.16 0.00 0.00 57.16 55.57 2kjp n GLU 10 Cb 0.51 -1.85 0.03 0.00 1.43 0.00 0.00 31.44 31.56 2kjp n GLU 10 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kjp n ASN 11 N -4.65 -5.94 -4.54 -1.84 5.03 -1.26 -5.00 115.26 97.06 2kjp n ASN 11 Ca 0.10 -0.25 -0.27 0.00 0.87 0.00 0.00 54.58 55.03 2kjp n ASN 11 Cb 0.54 -4.83 -0.10 0.00 -1.02 0.00 0.00 39.78 34.37 2kjp n ASN 11 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2kjp s MET 12 N -5.63 1.92 0.00 3.52 -1.94 -1.25 -4.88 119.30 111.04 2kjp s MET 12 Ca 0.27 -2.13 0.00 0.00 -1.71 0.00 0.00 55.69 52.12 2kjp s MET 12 Cb -0.12 -1.28 0.00 0.00 2.01 0.00 0.00 34.83 35.44 2kjp s MET 12 CO 0.33 -0.21 0.56 -2.30 -0.01 0.00 0.00 175.02 173.39 2kjp n PRO 13 N -0.95 0.00 0.00 2.03 -0.02 -1.26 -4.26 135.00 130.54 2kjp n PRO 13 Ca -0.07 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2kjp n PRO 13 Cb 0.67 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 2kjp n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kjp n ALA 14 N -1.06 0.00 -1.59 3.55 0.00 -1.25 -4.13 120.51 116.02 2kjp n ALA 14 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 2kjp n ALA 14 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.56 2kjp n ALA 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kjp n LYS 15 N -0.83 1.30 -0.01 0.00 4.81 -1.26 -0.23 118.16 121.93 2kjp n LYS 15 Ca 0.00 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 2kjp n LYS 15 Cb 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.04 2kjp n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kjp n GLY 16 N 2.16 0.00 2.90 3.14 0.00 -1.26 -4.82 105.19 107.31 2kjp n GLY 16 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2kjp n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kjp s LYS 17 N -0.02 1.34 0.06 1.61 2.20 0.67 -4.88 119.74 120.72 2kjp s LYS 17 Ca 0.00 -1.15 0.09 0.00 -0.36 0.00 0.00 55.97 54.55 2kjp s LYS 17 Cb 0.00 -2.55 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 2kjp s LYS 17 CO 0.00 -0.75 -0.24 -1.50 -0.36 0.00 0.00 175.35 172.50 2kjp s ILE 18 N 1.37 1.97 -0.26 5.43 1.10 -1.25 -3.93 121.20 125.64 2kjp s ILE 18 Ca 0.01 -1.38 -0.03 0.00 -0.51 0.00 0.00 60.65 58.74 2kjp s ILE 18 Cb -0.18 -1.70 0.11 0.00 0.15 0.00 0.00 42.46 40.83 2kjp s ILE 18 CO -0.11 0.25 0.21 -1.61 -2.11 0.00 0.00 174.94 171.57 2kjp s GLU 19 N -1.36 0.23 -0.44 3.50 2.02 -1.26 -4.94 118.70 116.45 2kjp s GLU 19 Ca 0.10 -0.19 0.06 0.00 0.02 0.00 0.00 54.97 54.96 2kjp s GLU 19 Cb -0.10 -1.04 0.18 0.00 0.10 0.00 0.00 34.13 33.27 2kjp s GLU 19 CO 0.03 -0.92 0.58 0.08 0.02 0.00 0.00 175.26 175.05 2kjp s VAL 20 N 2.25 -0.74 0.00 2.63 1.01 -1.26 -4.41 120.40 119.88 2kjp s VAL 20 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2kjp s VAL 20 Cb -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.98 2kjp s VAL 20 CO -0.28 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.20 2kjp n GLY 21 N 3.78 2.73 3.77 4.51 0.00 -0.49 -5.01 105.19 114.47 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 -2.07 4.47 0.10 1.61 1.01 -1.26 -4.75 116.67 115.78 2kjp s ASP 22 Ca 0.00 1.80 0.09 0.00 0.71 0.00 0.00 52.55 55.15 2kjp s ASP 22 Cb 0.00 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2kjp s ASP 22 CO 0.00 -2.05 -0.21 -0.75 0.21 0.00 0.00 175.17 172.37 2kjp s LYS 23 N -4.91 1.74 -0.22 8.23 2.20 -1.26 -3.81 119.74 121.70 2kjp s LYS 23 Ca 0.61 -1.18 -0.06 0.00 -0.36 0.00 0.00 55.97 54.97 2kjp s LYS 23 Cb -0.17 -2.07 -0.03 0.00 -1.51 0.00 0.00 37.83 34.06 2kjp s LYS 23 CO 0.56 0.48 0.04 0.96 -0.36 0.00 0.00 175.35 177.03 2kjp s ILE 24 N -1.07 4.16 -0.04 5.43 -0.00 -1.24 -2.89 121.20 125.54 2kjp s ILE 24 Ca 0.16 -0.23 -0.24 0.00 -0.00 0.00 0.00 60.65 60.33 2kjp s ILE 24 Cb -0.10 -2.91 -0.19 0.00 -0.00 0.00 0.00 42.46 39.25 2kjp s ILE 24 CO 0.08 0.39 1.08 0.40 -0.00 0.00 0.00 174.94 176.88 2kjp h ILE 25 N 5.44 1.18 -2.34 8.37 1.08 -1.93 -3.49 117.51 125.83 2kjp h ILE 25 Ca -0.37 -1.21 0.16 0.00 -0.39 0.00 0.00 64.86 63.04 2kjp h ILE 25 Cb 1.17 1.93 -0.10 0.00 -3.07 0.00 0.00 36.82 36.75 2kjp h ILE 25 CO 0.60 0.29 0.48 -0.44 -0.69 0.00 0.00 178.15 178.39 2kjp s SER 26 N -5.61 -0.23 -0.01 1.72 0.01 -1.26 -4.79 113.70 103.52 2kjp s SER 26 Ca -0.15 -0.29 0.03 0.00 1.31 0.00 0.00 55.95 56.85 2kjp s SER 26 Cb 0.01 0.46 -0.01 0.00 0.21 0.00 0.00 66.02 66.69 2kjp s SER 26 CO 0.60 -0.83 -0.10 0.00 0.41 0.00 0.00 173.24 173.31 2kjp s ALA 27 N -3.25 0.85 -1.49 1.44 0.00 -1.07 -3.53 121.76 114.71 2kjp s ALA 27 Ca 0.10 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 2kjp s ALA 27 Cb -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.91 2kjp s ALA 27 CO -0.01 0.21 0.46 -3.47 0.00 0.00 0.00 175.76 172.95 2kjp n ASP 28 N 2.84 -5.41 0.00 0.00 2.03 -0.64 -0.61 116.55 114.76 2kjp n ASP 28 Ca -0.14 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 54.94 2kjp n ASP 28 Cb 0.56 -4.42 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 -1.33 0.08 3.48 0.27 0.00 -1.26 -4.93 105.19 101.50 2kjp n GLY 29 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.28 3.67 0.87 1.61 2.20 0.22 -5.11 119.74 121.92 2kjp s LYS 30 Ca 0.00 -0.50 -0.13 0.00 -0.36 0.00 0.00 55.97 54.97 2kjp s LYS 30 Cb 0.00 -3.04 0.12 0.00 -1.51 0.00 0.00 37.83 33.41 2kjp s LYS 30 CO 0.00 0.12 1.22 1.21 -0.36 0.00 0.00 175.35 177.54 2kjp s ASN 31 N 0.71 3.97 -0.21 1.43 3.84 -1.26 -2.61 114.94 120.81 2kjp s ASN 31 Ca -0.00 0.64 -0.04 0.00 0.21 0.00 0.00 52.86 53.67 2kjp s ASN 31 Cb -0.14 -1.00 0.11 0.00 -0.55 0.00 0.00 41.25 39.67 2kjp s ASN 31 CO 0.02 -2.23 0.33 -0.31 -2.79 0.00 0.00 177.10 172.12 2kjp s TYR 32 N -3.64 -0.62 0.02 0.43 2.02 -1.26 -4.95 117.35 109.34 2kjp s TYR 32 Ca 0.66 0.81 -0.25 0.00 -0.37 0.00 0.00 57.07 57.92 2kjp s TYR 32 Cb -0.09 -0.04 -0.18 0.00 -0.40 0.00 0.00 41.96 41.25 2kjp s TYR 32 CO 0.51 -0.59 1.46 0.37 -1.57 0.00 0.00 175.55 175.72 2kjp h GLN 33 N 8.23 0.01 -5.69 -0.62 5.75 -2.00 -3.42 115.11 117.37 2kjp h GLN 33 Ca -0.17 -0.00 -0.58 0.00 -0.15 0.00 0.00 58.65 57.74 2kjp h GLN 33 Cb 1.14 -0.00 -0.09 0.00 1.07 0.00 0.00 27.48 29.60 2kjp h GLN 33 CO 0.23 0.30 -0.11 0.45 -2.65 0.00 0.00 178.83 177.05 2kjp s SER 34 N -5.50 6.66 0.30 -0.69 0.15 -1.26 -4.97 113.70 108.40 2kjp s SER 34 Ca -0.15 0.79 -0.00 0.00 0.70 0.00 0.00 55.95 57.29 2kjp s SER 34 Cb 0.03 -2.29 0.48 0.00 -1.71 0.00 0.00 66.02 62.53 2kjp s SER 34 CO 0.67 -0.05 1.90 0.00 1.20 0.00 0.00 173.24 176.95 2kjp h ALA 35 N 6.92 1.34 -0.59 5.45 0.00 -1.99 -2.42 119.26 127.97 2kjp h ALA 35 Ca -0.39 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kjp h ALA 35 Cb 1.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2kjp h ALA 35 CO 0.75 0.50 0.37 1.49 0.00 0.00 0.00 179.25 182.37 2kjp h GLU 36 N 0.84 0.79 -0.33 0.00 4.81 -1.97 -1.91 114.58 116.80 2kjp h GLU 36 Ca 0.20 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2kjp h GLU 36 Cb 0.14 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2kjp h GLU 36 CO -0.02 0.54 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.56 2kjp h LYS 37 N 0.81 0.52 -0.36 1.92 1.63 -1.85 -2.83 116.57 116.41 2kjp h LYS 37 Ca 0.21 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2kjp h LYS 37 Cb -0.06 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 2kjp h LYS 37 CO -0.04 0.57 0.21 1.25 -3.45 0.00 0.00 179.45 177.98 2kjp h LEU 38 N 0.50 0.35 -0.35 5.20 5.85 -1.33 0.51 115.31 126.05 2kjp h LEU 38 Ca 0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2kjp h LEU 38 Cb 0.36 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2kjp h LEU 38 CO 0.01 0.25 0.15 0.40 -0.34 0.00 0.00 178.44 178.91 2kjp h ILE 39 N 0.43 1.18 -0.77 4.05 5.03 -1.54 -1.36 117.51 124.54 2kjp h ILE 39 Ca 0.14 -0.54 0.02 0.00 -0.12 0.00 0.00 64.86 64.36 2kjp h ILE 39 Cb -0.00 0.89 -0.04 0.00 -3.03 0.00 0.00 36.82 34.63 2kjp h ILE 39 CO -0.06 0.19 0.49 0.44 -0.68 0.00 0.00 178.15 178.53 2kjp h ASP 40 N 0.42 0.82 0.46 1.72 3.32 -1.24 0.62 116.42 122.55 2kjp h ASP 40 Ca 0.12 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2kjp h ASP 40 Cb 0.16 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2kjp h ASP 40 CO -0.01 0.58 -0.22 0.22 -1.72 0.00 0.00 179.24 178.08 2kjp h TYR 41 N 0.97 -0.57 -0.18 4.55 3.20 -0.59 -2.22 116.97 122.13 2kjp h TYR 41 Ca 0.30 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2kjp h TYR 41 Cb -0.02 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2kjp h TYR 41 CO -0.03 -0.29 -0.02 0.82 -1.64 0.00 0.00 178.16 176.99 2kjp h ILE 42 N -0.75 1.27 -0.05 1.81 2.04 -1.08 -2.87 117.51 117.89 2kjp h ILE 42 Ca -0.06 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 64.87 2kjp h ILE 42 Cb 0.53 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2kjp h ILE 42 CO 0.10 0.28 0.12 0.77 0.00 0.00 0.00 178.15 179.43 2kjp h SER 43 N 0.05 0.00 0.40 1.72 4.64 0.21 0.52 113.55 121.09 2kjp h SER 43 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2kjp h SER 43 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2kjp h SER 43 CO 0.01 0.00 -0.15 -1.20 -0.87 0.00 0.00 176.83 174.62 2kjp n SER 44 N -3.38 0.51 -2.73 4.97 7.64 -0.84 -4.11 113.62 115.68 2kjp n SER 44 Ca -0.01 -0.51 -0.03 0.00 1.01 0.00 0.00 58.87 59.33 2kjp n SER 44 Cb 0.20 -0.05 0.09 0.00 -1.01 0.00 0.00 64.21 63.44 2kjp n SER 44 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kjp n LYS 45 N -1.00 1.45 -4.14 1.43 5.02 0.16 -5.09 118.16 115.99 2kjp n LYS 45 Ca 0.13 -2.39 -0.35 0.00 -2.02 0.00 0.00 58.31 53.68 2kjp n LYS 45 Cb 0.30 -0.59 -0.13 0.00 -0.02 0.00 0.00 35.03 34.59 2kjp n LYS 45 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2kjp s LYS 46 N -1.71 3.56 0.00 1.97 2.20 -0.11 -4.60 119.74 121.05 2kjp s LYS 46 Ca 0.20 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2kjp s LYS 46 Cb 0.40 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2kjp s LYS 46 CO -0.07 0.02 0.00 0.00 -0.36 0.00 0.00 175.35 174.94 2kjp n ALA 47 N 4.21 0.00 0.00 3.13 0.00 -1.26 -4.38 120.51 122.21 2kjp n ALA 47 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.32 2kjp n ALA 47 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.51 3.76 0.00 0.00 -1.26 -2.39 105.19 104.79 2kjp n GLY 48 Ca 0.00 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 2kjp n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kjp s ASP 49 N -3.29 5.83 0.22 1.61 2.15 -1.26 -4.53 116.67 117.41 2kjp s ASP 49 Ca -0.04 2.89 0.01 0.00 0.43 0.00 0.00 52.55 55.84 2kjp s ASP 49 Cb 0.07 -2.65 -0.04 0.00 -0.30 0.00 0.00 42.92 40.00 2kjp s ASP 49 CO 0.47 -1.20 0.40 -0.54 -0.17 0.00 0.00 175.17 174.13 2kjp s LYS 50 N -2.49 3.49 0.10 4.34 1.02 -1.26 -3.23 119.74 121.72 2kjp s LYS 50 Ca 0.62 -0.43 -0.25 0.00 0.02 0.00 0.00 55.97 55.93 2kjp s LYS 50 Cb -0.43 -2.84 0.08 0.00 -0.52 0.00 0.00 37.83 34.12 2kjp s LYS 50 CO 0.55 0.38 0.66 0.54 -0.92 0.00 0.00 175.35 176.57 2kjp s VAL 51 N -1.93 0.00 -0.22 3.17 0.11 -1.26 -5.03 120.40 115.23 2kjp s VAL 51 Ca 0.38 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.33 2kjp s VAL 51 Cb -0.10 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 2kjp s VAL 51 CO 0.30 0.00 0.13 -0.89 -3.33 0.00 0.00 175.10 171.31 2kjp s THR 52 N -3.28 5.20 -0.08 5.04 2.01 -1.26 -4.69 115.64 118.58 2kjp s THR 52 Ca 0.00 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.15 2kjp s THR 52 Cb -0.01 -3.40 0.01 0.00 0.01 0.00 0.00 72.50 69.11 2kjp s THR 52 CO -0.09 0.38 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.85 2kjp s LEU 53 N 0.86 1.75 -0.15 4.42 2.96 -1.26 -1.61 118.68 125.63 2kjp s LEU 53 Ca 0.07 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 2kjp s LEU 53 Cb -0.13 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 2kjp s LEU 53 CO 0.03 0.06 0.04 -0.54 -1.32 0.00 0.00 176.35 174.62 2kjp s LYS 54 N 0.63 3.70 0.24 1.98 1.02 -1.23 -4.76 119.74 121.32 2kjp s LYS 54 Ca -0.15 -0.36 0.11 0.00 0.02 0.00 0.00 55.97 55.60 2kjp s LYS 54 Cb -0.16 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 2kjp s LYS 54 CO 0.04 0.40 -0.20 0.42 -0.92 0.00 0.00 175.35 175.09 2kjp s ILE 55 N 0.00 2.52 -0.15 2.17 -1.09 -1.26 -3.21 121.20 120.18 2kjp s ILE 55 Ca 0.05 -2.20 0.00 0.00 -2.23 0.00 0.00 60.65 56.27 2kjp s ILE 55 Cb -0.12 -2.28 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 2kjp s ILE 55 CO 0.01 -0.28 -0.14 -0.70 -1.23 0.00 0.00 174.94 172.60 2kjp s GLU 56 N -3.16 3.27 -0.06 2.79 2.12 -1.14 -3.73 118.70 118.78 2kjp s GLU 56 Ca 0.26 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 2kjp s GLU 56 Cb -0.06 -2.64 0.04 0.00 0.26 0.00 0.00 34.13 31.72 2kjp s GLU 56 CO 0.13 0.07 0.07 1.03 -0.54 0.00 0.00 175.26 176.02 2kjp s ARG 57 N 0.68 -0.05 -1.66 4.30 0.52 0.55 -4.43 118.95 118.86 2kjp s ARG 57 Ca -0.07 0.30 -0.13 0.00 -0.52 0.00 0.00 55.73 55.32 2kjp s ARG 57 Cb -0.16 -0.73 0.12 0.00 0.52 0.00 0.00 34.95 34.70 2kjp s ARG 57 CO 0.02 -0.39 0.53 0.39 0.02 0.00 0.00 175.30 175.87 2kjp n GLU 58 N 5.30 -2.25 -2.40 3.54 -0.58 -1.26 0.11 120.64 123.10 2kjp n GLU 58 Ca -0.04 0.28 -0.15 0.00 -0.42 0.00 0.00 57.16 56.83 2kjp n GLU 58 Cb 0.50 -4.63 0.00 0.00 -0.57 0.00 0.00 31.44 26.74 2kjp n GLU 58 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2kjp n GLU 59 N -4.35 -1.70 -4.19 3.49 2.13 -1.26 -5.01 120.64 109.75 2kjp n GLU 59 Ca -0.06 0.70 -0.18 0.00 0.66 0.00 0.00 57.16 58.28 2kjp n GLU 59 Cb 0.56 -5.01 -0.15 0.00 0.27 0.00 0.00 31.44 27.11 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2kjp s LYS 60 N -4.87 0.59 0.01 5.31 1.02 0.29 -5.15 119.74 116.94 2kjp s LYS 60 Ca 0.05 -0.17 -0.00 0.00 0.02 0.00 0.00 55.97 55.86 2kjp s LYS 60 Cb -0.02 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.66 2kjp s LYS 60 CO 0.06 0.06 0.12 -2.00 -0.92 0.00 0.00 175.35 172.67 2kjp s GLU 61 N 0.22 3.17 0.18 1.68 2.12 -1.26 -0.33 118.70 124.48 2kjp s GLU 61 Ca -0.02 -0.47 0.11 0.00 0.36 0.00 0.00 54.97 54.94 2kjp s GLU 61 Cb -0.07 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 2kjp s GLU 61 CO -0.00 0.64 -0.23 -1.59 -0.54 0.00 0.00 175.26 173.53 2kjp s LYS 62 N -1.97 1.45 -0.08 4.30 -2.85 -1.24 -5.02 119.74 114.32 2kjp s LYS 62 Ca 0.26 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 2kjp s LYS 62 Cb -0.12 -1.74 0.02 0.00 -2.06 0.00 0.00 37.83 33.93 2kjp s LYS 62 CO 0.18 0.38 -0.06 0.50 0.10 0.00 0.00 175.35 176.45 2kjp s ARG 63 N -2.60 1.17 -0.04 1.78 3.52 -1.26 -4.36 118.95 117.16 2kjp s ARG 63 Ca 0.19 -0.16 -0.17 0.00 -0.13 0.00 0.00 55.73 55.46 2kjp s ARG 63 Cb -0.08 -1.22 0.03 0.00 -1.56 0.00 0.00 34.95 32.12 2kjp s ARG 63 CO 0.09 -0.18 0.37 0.54 -0.81 0.00 0.00 175.30 175.31 2kjp s VAL 64 N 1.39 0.04 -0.27 7.11 0.11 -1.26 -5.14 120.40 122.38 2kjp s VAL 64 Ca -0.03 -0.34 -0.07 0.00 -2.93 0.00 0.00 61.98 58.62 2kjp s VAL 64 Cb -0.13 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.05 2kjp s VAL 64 CO -0.03 -0.19 0.07 -0.89 -3.33 0.00 0.00 175.10 170.73 2kjp s THR 65 N -1.06 4.17 0.14 5.04 2.01 -1.26 -4.74 115.64 119.94 2kjp s THR 65 Ca -0.11 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2kjp s THR 65 Cb -0.04 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2kjp s THR 65 CO 0.04 0.25 0.03 -1.48 -0.69 0.00 0.00 174.62 172.77 2kjp s LEU 66 N 1.57 1.98 0.06 4.42 2.34 -1.26 -5.13 118.68 122.65 2kjp s LEU 66 Ca 0.05 -1.18 -0.03 0.00 0.06 0.00 0.00 54.13 53.03 2kjp s LEU 66 Cb -0.16 0.13 -0.05 0.00 -0.56 0.00 0.00 46.19 45.56 2kjp s LEU 66 CO 0.03 -0.65 0.26 0.28 -1.06 0.00 0.00 176.35 175.21 2kjp s THR 67 N -3.87 5.32 1.05 5.48 -1.32 -1.26 -4.38 115.64 116.67 2kjp s THR 67 Ca 0.23 -0.13 -0.18 0.00 -1.21 0.00 0.00 61.69 60.40 2kjp s THR 67 Cb 0.07 -3.60 0.26 0.00 -1.51 0.00 0.00 72.50 67.71 2kjp s THR 67 CO 0.02 0.19 1.08 0.18 -2.21 0.00 0.00 174.62 173.88 2kjp n LEU 68 N 0.52 0.00 -3.68 9.08 4.77 -1.20 -4.79 117.00 121.72 2kjp n LEU 68 Ca -0.07 -1.16 -0.14 0.00 -0.03 0.00 0.00 56.01 54.61 2kjp n LEU 68 Cb 0.52 -0.93 -0.08 0.00 -2.33 0.00 0.00 43.42 40.60 2kjp n LEU 68 CO 0.48 -1.84 0.20 -0.75 -1.33 0.00 0.00 177.39 174.15 2kjp s LYS 69 N -5.41 0.73 0.01 3.23 2.47 -1.01 -4.36 119.74 115.40 2kjp s LYS 69 Ca 0.67 0.34 -0.03 0.00 -1.56 0.00 0.00 55.97 55.39 2kjp s LYS 69 Cb -0.05 0.34 -0.04 0.00 -1.46 0.00 0.00 37.83 36.62 2kjp s LYS 69 CO 0.50 -0.16 0.21 1.14 0.16 0.00 0.00 175.35 177.19 2kjp s GLN 70 N -0.53 3.48 -0.72 4.03 -2.07 -1.26 -4.23 119.66 118.34 2kjp s GLN 70 Ca -0.07 -0.27 -0.38 0.00 -1.82 0.00 0.00 55.36 52.83 2kjp s GLN 70 Cb -0.03 -3.08 -0.20 0.00 -1.09 0.00 0.00 33.01 28.61 2kjp s GLN 70 CO 0.04 0.65 2.40 1.19 -1.32 0.00 0.00 175.29 178.25 2kjp n PHE 71 N 0.88 0.90 0.00 9.60 3.72 -1.26 -4.73 117.46 126.57 2kjp n PHE 71 Ca -0.10 0.57 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 2kjp n PHE 71 Cb 0.52 -2.34 0.00 0.00 -0.94 0.00 0.00 39.48 36.73 2kjp n PHE 71 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2kjp n PRO 72 N 7.99 0.00 -0.02 -1.08 -0.02 -1.26 -0.12 135.00 140.48 2kjp n PRO 72 Ca 0.60 0.39 0.03 0.00 -2.02 0.00 0.00 63.50 62.50 2kjp n PRO 72 Cb 0.00 -1.61 0.04 0.00 -0.02 0.00 0.00 33.50 31.91 2kjp n PRO 72 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kjp n ASP 73 N -1.40 1.78 -2.86 2.55 8.00 -1.26 -4.79 116.55 118.57 2kjp n ASP 73 Ca -0.00 -1.44 -0.12 0.00 0.71 0.00 0.00 54.79 53.94 2kjp n ASP 73 Cb 0.11 -0.03 0.03 0.00 -0.02 0.00 0.00 41.12 41.21 2kjp n ASP 73 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2kjp n GLU 74 N 0.30 0.82 0.22 -1.24 2.13 0.83 -4.98 120.64 118.72 2kjp n GLU 74 Ca 0.04 -2.15 0.16 0.00 0.66 0.00 0.00 57.16 55.87 2kjp n GLU 74 Cb 0.21 -1.35 0.71 0.00 0.27 0.00 0.00 31.44 31.28 2kjp n GLU 74 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2kjp h PRO 75 N 3.74 0.00 0.00 5.31 0.13 -1.84 -2.18 132.00 137.17 2kjp h PRO 75 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2kjp h PRO 75 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2kjp h PRO 75 CO 0.33 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.66 2kjp h ASP 76 N 0.00 0.00 -4.86 1.44 3.32 -1.94 -3.44 116.42 110.95 2kjp h ASP 76 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 2kjp h ASP 76 Cb 0.28 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.67 2kjp h ASP 76 CO 0.00 0.00 -0.69 -0.13 -1.72 0.00 0.00 179.24 176.70 2kjp s ARG 77 N -3.58 0.71 -0.03 3.56 0.52 -0.82 -5.17 118.95 114.15 2kjp s ARG 77 Ca 0.02 -1.22 0.03 0.00 -0.52 0.00 0.00 55.73 54.03 2kjp s ARG 77 Cb 0.09 -0.05 0.00 0.00 0.52 0.00 0.00 34.95 35.51 2kjp s ARG 77 CO 0.46 -0.05 -0.10 0.00 0.02 0.00 0.00 175.30 175.64 2kjp s ALA 78 N -3.48 0.93 0.00 2.13 0.00 -1.26 -4.32 121.76 115.75 2kjp s ALA 78 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2kjp s ALA 78 Cb 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2kjp s ALA 78 CO -0.06 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.26 2kjp n GLY 79 N 3.26 0.68 3.05 0.00 0.00 -1.26 -4.72 105.19 106.19 2kjp n GLY 79 Ca -0.18 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 2kjp n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kjp n ILE 80 N 0.00 -9.65 0.03 -0.61 5.41 -1.26 -4.89 119.36 108.39 2kjp n ILE 80 Ca 0.00 0.33 -0.01 0.00 1.00 0.00 0.00 62.75 64.07 2kjp n ILE 80 Cb 0.00 -6.57 0.27 0.00 -0.71 0.00 0.00 39.64 32.63 2kjp n ILE 80 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2kjp h GLY 81 N 1.25 0.47 1.73 7.39 0.00 -2.00 -2.50 103.07 109.41 2kjp h GLY 81 Ca -0.09 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 46.94 2kjp h GLY 81 CO 0.25 0.30 0.12 -0.24 0.00 0.00 0.00 176.54 176.98 2kjp h VAL 82 N 0.40 0.97 0.00 4.60 3.04 -2.03 -3.44 116.25 119.79 2kjp h VAL 82 Ca 0.07 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 2kjp h VAL 82 Cb 0.51 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 2kjp h VAL 82 CO 0.03 0.02 0.00 -1.20 -1.01 0.00 0.00 177.57 175.41 2kjp n SER 83 N -4.50 0.00 0.00 3.17 7.64 -0.94 -4.75 113.62 114.23 2kjp n SER 83 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kjp n SER 83 Cb 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2kjp n SER 83 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kjp n LEU 84 N 0.00 0.00 -4.76 -3.43 7.94 -1.26 -4.68 117.00 110.80 2kjp n LEU 84 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 2kjp n LEU 84 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 2kjp n LEU 84 CO 0.00 0.00 1.20 -1.61 -1.11 0.00 0.00 177.39 175.87 2kjp s GLU 85 N 0.00 4.11 0.16 1.96 2.02 -1.26 -4.97 118.70 120.72 2kjp s GLU 85 Ca 0.00 2.58 -0.14 0.00 0.02 0.00 0.00 54.97 57.43 2kjp s GLU 85 Cb 0.00 -2.99 0.05 0.00 0.10 0.00 0.00 34.13 31.29 2kjp s GLU 85 CO 0.00 -0.59 0.70 -2.39 0.02 0.00 0.00 175.26 173.00 2kjp n HIS 86 N 1.33 -1.29 -1.08 1.61 1.44 -1.26 -4.94 115.22 111.03 2kjp n HIS 86 Ca 0.05 -0.99 -0.07 0.00 -2.01 0.00 0.00 57.72 54.70 2kjp n HIS 86 Cb 0.38 0.48 -0.03 0.00 0.12 0.00 0.00 29.99 30.94 2kjp n HIS 86 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kjp n HIS 87 N -0.49 -0.12 -0.05 -1.40 -0.00 -1.26 -4.80 115.22 107.09 2kjp n HIS 87 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.59 2kjp n HIS 87 Cb 0.42 -2.20 -0.04 0.00 -0.00 0.00 0.00 29.99 28.17 2kjp n HIS 87 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kjp h HIS 88 N 0.00 0.27 -3.35 1.57 6.17 -1.97 -3.42 115.15 114.43 2kjp h HIS 88 Ca -0.15 -0.00 -0.52 0.00 0.71 0.00 0.00 60.37 60.40 2kjp h HIS 88 Cb 0.87 -0.09 0.03 0.00 2.52 0.00 0.00 27.41 30.75 2kjp h HIS 88 CO 0.45 0.23 0.67 -1.01 0.71 0.00 0.00 177.93 178.98 2kjp s HIS 89 N -5.93 3.24 0.09 5.26 3.76 -1.26 -4.94 115.29 115.52 2kjp s HIS 89 Ca -0.13 1.18 -0.20 0.00 -0.15 0.00 0.00 55.06 55.76 2kjp s HIS 89 Cb 0.08 -3.63 -0.09 0.00 1.11 0.00 0.00 32.58 30.05 2kjp s HIS 89 CO 0.70 -1.98 1.66 0.45 -0.85 0.00 0.00 174.74 174.71 2kjp h HIS 90 N 5.48 0.27 0.00 1.40 3.86 -2.02 -3.54 115.15 120.59 2kjp h HIS 90 Ca -0.45 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2kjp h HIS 90 Cb 1.21 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2kjp h HIS 90 CO 0.62 0.30 0.00 -2.39 0.86 0.00 0.00 177.93 177.32