#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 -0.77 0.00 8.20 0.00 -1.26 -4.93 105.19 106.43 2kjp n GLY 2 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 1.36 -3.68 -0.61 -5.35 -1.26 -4.37 119.36 105.45 2kjp n ILE 3 Ca 0.00 0.34 -0.14 0.00 -0.27 0.00 0.00 62.75 62.68 2kjp n ILE 3 Cb 0.00 -1.32 -0.14 0.00 -1.74 0.00 0.00 39.64 36.44 2kjp n ILE 3 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2kjp s TYR 4 N -2.71 -0.33 -0.70 4.28 5.04 -1.26 -3.82 117.35 117.84 2kjp s TYR 4 Ca 0.01 0.83 -0.27 0.00 -2.44 0.00 0.00 57.07 55.20 2kjp s TYR 4 Cb 0.01 -0.09 0.02 0.00 0.35 0.00 0.00 41.96 42.25 2kjp s TYR 4 CO 0.02 -0.31 1.45 0.00 -1.34 0.00 0.00 175.55 175.37 2kjp s ALA 5 N 2.17 2.59 -0.18 3.97 0.00 -0.46 -4.64 121.76 125.22 2kjp s ALA 5 Ca -0.00 -1.15 0.21 0.00 0.00 0.00 0.00 51.96 51.03 2kjp s ALA 5 Cb -0.12 -4.27 -0.09 0.00 0.00 0.00 0.00 23.12 18.65 2kjp s ALA 5 CO -0.08 -3.44 0.89 0.43 0.00 0.00 0.00 175.76 173.56 2kjp n SER 6 N 10.32 0.69 -3.59 0.00 7.64 -1.26 -1.21 113.62 126.21 2kjp n SER 6 Ca 0.08 0.27 -0.07 0.00 1.01 0.00 0.00 58.87 60.16 2kjp n SER 6 Cb 0.50 0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 64.37 2kjp n SER 6 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2kjp s SER 7 N -5.28 -0.34 -0.04 6.43 1.04 -1.26 -4.80 113.70 109.45 2kjp s SER 7 Ca -0.02 -0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.19 2kjp s SER 7 Cb 0.10 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.71 2kjp s SER 7 CO 0.82 -0.82 0.14 0.68 0.98 0.00 0.00 173.24 175.04 2kjp s VAL 8 N -3.33 0.03 -0.10 5.02 -7.23 -1.26 -4.86 120.40 108.66 2kjp s VAL 8 Ca 0.07 -0.25 -0.14 0.00 -1.81 0.00 0.00 61.98 59.85 2kjp s VAL 8 Cb -0.01 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.59 2kjp s VAL 8 CO -0.05 -0.13 0.35 -0.69 -0.31 0.00 0.00 175.10 174.27 2kjp s VAL 9 N -0.43 5.22 1.14 1.32 1.01 -1.26 -5.08 120.40 122.33 2kjp s VAL 9 Ca -0.05 0.69 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 2kjp s VAL 9 Cb -0.03 -3.68 0.16 0.00 0.00 0.00 0.00 36.38 32.83 2kjp s VAL 9 CO 0.01 0.45 0.26 -1.84 0.00 0.00 0.00 175.10 173.98 2kjp n GLU 10 N 2.96 -1.90 -3.07 2.72 0.28 -1.26 -3.53 120.64 116.85 2kjp n GLU 10 Ca -0.12 -0.53 -0.22 0.00 -0.16 0.00 0.00 57.16 56.12 2kjp n GLU 10 Cb 0.52 -1.82 0.03 0.00 1.43 0.00 0.00 31.44 31.60 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 -2.56 -5.62 -4.47 -1.84 5.03 -1.26 -5.00 115.26 99.55 2kjp n ASN 11 Ca 0.01 -0.29 -0.24 0.00 0.87 0.00 0.00 54.58 54.93 2kjp n ASN 11 Cb 0.60 -4.56 -0.10 0.00 -1.02 0.00 0.00 39.78 34.70 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 -5.74 1.66 0.00 3.52 -1.94 -1.23 -4.92 119.30 110.66 2kjp s MET 12 Ca 0.31 -1.77 0.03 0.00 -1.71 0.00 0.00 55.69 52.55 2kjp s MET 12 Cb -0.14 -1.71 0.15 0.00 2.01 0.00 0.00 34.83 35.14 2kjp s MET 12 CO 0.39 0.30 0.99 -0.35 -0.01 0.00 0.00 175.02 176.33 2kjp n PRO 13 N -0.62 0.03 0.09 2.03 -0.04 -1.26 -4.16 135.00 131.07 2kjp n PRO 13 Ca -0.05 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2kjp n PRO 13 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2kjp n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kjp n ALA 14 N -1.36 0.00 -1.64 0.55 0.00 -1.26 -4.28 120.51 112.52 2kjp n ALA 14 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.99 2kjp n ALA 14 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.02 2.22 0.00 0.00 4.81 -1.26 -0.98 118.16 121.92 2kjp n LYS 15 Ca 0.00 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 2kjp n LYS 15 Cb 0.33 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.53 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 4.93 1.98 0.00 3.14 0.00 -1.26 -4.92 105.19 109.06 2kjp n GLY 16 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2kjp n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kjp n LYS 17 N -1.15 0.50 -1.71 1.61 5.02 -0.15 -4.81 118.16 117.45 2kjp n LYS 17 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 2kjp n LYS 17 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.07 2kjp n LYS 17 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2kjp s ILE 18 N -0.32 2.43 0.32 -0.18 -4.36 -1.26 -4.97 121.20 112.85 2kjp s ILE 18 Ca 0.00 0.24 0.03 0.00 -0.26 0.00 0.00 60.65 60.66 2kjp s ILE 18 Cb 0.00 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.72 2kjp s ILE 18 CO 0.00 -0.08 0.12 -1.61 0.24 0.00 0.00 174.94 173.60 2kjp s GLU 19 N -3.62 1.62 -0.03 0.37 2.02 -1.26 -4.79 118.70 113.02 2kjp s GLU 19 Ca 0.76 -1.93 -0.29 0.00 0.02 0.00 0.00 54.97 53.53 2kjp s GLU 19 Cb -0.31 -0.38 -0.08 0.00 0.10 0.00 0.00 34.13 33.46 2kjp s GLU 19 CO 0.40 -0.37 2.04 0.14 0.02 0.00 0.00 175.26 177.49 2kjp s VAL 20 N -3.51 3.00 0.00 2.63 -7.23 -1.26 -1.07 120.40 112.96 2kjp s VAL 20 Ca 0.34 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2kjp s VAL 20 Cb 0.06 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 34.00 2kjp s VAL 20 CO 0.16 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 2kjp n GLY 21 N 4.88 1.23 3.85 2.32 0.00 -0.35 -5.06 105.19 112.06 2kjp n GLY 21 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.41 4.25 0.12 1.61 1.11 -0.23 -4.82 116.67 116.30 2kjp s ASP 22 Ca 0.00 0.94 -0.02 0.00 0.18 0.00 0.00 52.55 53.65 2kjp s ASP 22 Cb 0.00 -1.52 -0.04 0.00 1.07 0.00 0.00 42.92 42.43 2kjp s ASP 22 CO 0.00 -2.08 0.07 -1.59 1.18 0.00 0.00 175.17 172.75 2kjp s LYS 23 N -5.40 0.90 -0.27 8.23 -2.85 -1.26 -1.35 119.74 117.73 2kjp s LYS 23 Ca 0.62 -1.38 -0.06 0.00 -1.00 0.00 0.00 55.97 54.15 2kjp s LYS 23 Cb -0.13 0.25 -0.00 0.00 -2.06 0.00 0.00 37.83 35.89 2kjp s LYS 23 CO 0.51 -0.25 0.05 0.96 0.10 0.00 0.00 175.35 176.73 2kjp s ILE 24 N -4.02 3.93 0.10 3.79 -0.00 -1.25 -4.22 121.20 119.53 2kjp s ILE 24 Ca 0.21 -0.53 -0.15 0.00 -0.00 0.00 0.00 60.65 60.17 2kjp s ILE 24 Cb 0.07 -2.94 -0.06 0.00 -0.00 0.00 0.00 42.46 39.53 2kjp s ILE 24 CO -0.00 0.21 1.48 0.40 -0.00 0.00 0.00 174.94 177.03 2kjp h ILE 25 N 5.76 1.29 -2.83 8.37 1.08 -1.53 -3.48 117.51 126.17 2kjp h ILE 25 Ca -0.35 -1.22 0.08 0.00 -0.39 0.00 0.00 64.86 62.98 2kjp h ILE 25 Cb 1.14 1.40 -0.07 0.00 -3.07 0.00 0.00 36.82 36.22 2kjp h ILE 25 CO 0.60 0.39 0.29 -0.44 -0.69 0.00 0.00 178.15 178.30 2kjp s SER 26 N -6.33 -0.30 -0.25 1.72 0.01 -1.25 -3.30 113.70 104.01 2kjp s SER 26 Ca -0.13 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.70 2kjp s SER 26 Cb 0.09 0.64 0.07 0.00 0.21 0.00 0.00 66.02 67.03 2kjp s SER 26 CO 0.80 -1.16 -0.02 0.00 0.41 0.00 0.00 173.24 173.27 2kjp s ALA 27 N -3.72 1.92 -0.28 1.44 0.00 -1.25 -2.89 121.76 116.97 2kjp s ALA 27 Ca 0.09 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2kjp s ALA 27 Cb -0.04 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.60 2kjp s ALA 27 CO 0.02 -1.28 0.00 -3.47 0.00 0.00 0.00 175.76 171.03 2kjp n ASP 28 N 4.68 -0.89 0.00 0.00 2.03 -0.93 -4.37 116.55 117.09 2kjp n ASP 28 Ca -0.09 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2kjp n ASP 28 Cb 0.44 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 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 -0.14 0.88 3.43 0.27 0.00 -1.26 -5.09 105.19 103.28 2kjp n GLY 29 Ca -0.03 0.41 -0.23 0.00 0.00 0.00 0.00 46.02 46.18 2kjp n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjp s LYS 30 N 2.43 1.81 0.88 1.61 1.02 -1.26 -4.90 119.74 121.33 2kjp s LYS 30 Ca 0.00 -2.08 -0.11 0.00 0.02 0.00 0.00 55.97 53.80 2kjp s LYS 30 Cb 0.00 -0.34 0.12 0.00 -0.52 0.00 0.00 37.83 37.09 2kjp s LYS 30 CO 0.00 -0.49 1.10 0.54 -0.92 0.00 0.00 175.35 175.57 2kjp s ASN 31 N -3.51 3.50 -0.02 2.83 2.20 -1.21 -3.94 114.94 114.80 2kjp s ASN 31 Ca 0.30 1.70 0.00 0.00 -0.94 0.00 0.00 52.86 53.92 2kjp s ASN 31 Cb 0.03 -2.35 0.02 0.00 -2.00 0.00 0.00 41.25 36.95 2kjp s ASN 31 CO 0.17 -2.65 0.01 -0.31 -2.94 0.00 0.00 177.10 171.38 2kjp s TYR 32 N -2.84 0.12 0.17 1.54 2.02 -1.26 -5.04 117.35 112.06 2kjp s TYR 32 Ca 0.64 0.05 -0.10 0.00 -0.37 0.00 0.00 57.07 57.29 2kjp s TYR 32 Cb -0.19 -0.22 0.05 0.00 -0.40 0.00 0.00 41.96 41.21 2kjp s TYR 32 CO 0.57 -0.07 1.63 1.96 -1.57 0.00 0.00 175.55 178.07 2kjp h GLN 33 N 6.88 1.04 -5.00 -0.62 1.08 -2.01 -3.40 115.11 113.08 2kjp h GLN 33 Ca -0.38 -0.34 -0.66 0.00 -1.45 0.00 0.00 58.65 55.82 2kjp h GLN 33 Cb 1.15 -0.09 -0.17 0.00 -0.05 0.00 0.00 27.48 28.33 2kjp h GLN 33 CO 0.49 1.03 -0.25 -1.12 -0.95 0.00 0.00 178.83 178.03 2kjp s SER 34 N -6.55 6.20 0.61 1.46 0.01 -1.26 -4.94 113.70 109.23 2kjp s SER 34 Ca -0.12 -0.18 0.31 0.00 1.31 0.00 0.00 55.95 57.27 2kjp s SER 34 Cb 0.13 -2.21 1.74 0.00 0.21 0.00 0.00 66.02 65.89 2kjp s SER 34 CO 0.85 -0.35 2.09 0.00 0.41 0.00 0.00 173.24 176.24 2kjp h ALA 35 N 8.45 1.66 -0.65 1.44 0.00 -2.03 -1.11 119.26 127.02 2kjp h ALA 35 Ca -0.30 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.69 2kjp h ALA 35 Cb 1.14 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2kjp h ALA 35 CO 0.70 -0.30 0.43 0.93 0.00 0.00 0.00 179.25 181.02 2kjp h GLU 36 N 0.00 0.57 -0.44 0.00 5.08 -1.95 -1.41 114.58 116.42 2kjp h GLU 36 Ca 0.07 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2kjp h GLU 36 Cb 0.51 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2kjp h GLU 36 CO -0.00 0.38 0.13 0.87 -1.00 0.00 0.00 179.01 179.38 2kjp h LYS 37 N 0.59 0.70 0.03 2.33 1.79 -1.61 0.51 116.57 120.91 2kjp h LYS 37 Ca 0.29 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2kjp h LYS 37 Cb 0.38 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2kjp h LYS 37 CO -0.09 0.69 -0.01 1.25 -1.08 0.00 0.00 179.45 180.20 2kjp h LEU 38 N 0.58 -0.03 0.06 2.94 6.46 -1.41 0.14 115.31 124.05 2kjp h LEU 38 Ca 0.14 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2kjp h LEU 38 Cb 0.29 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.22 2kjp h LEU 38 CO -0.00 0.13 -0.04 0.40 -0.62 0.00 0.00 178.44 178.30 2kjp h ILE 39 N -0.19 0.90 -0.96 4.05 2.04 -1.31 -1.66 117.51 120.38 2kjp h ILE 39 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2kjp h ILE 39 Cb 0.18 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 2kjp h ILE 39 CO 0.01 0.00 0.63 -0.78 0.00 0.00 0.00 178.15 178.01 2kjp h ASP 40 N -0.10 1.08 -0.51 1.72 3.58 -0.82 -1.18 116.42 120.18 2kjp h ASP 40 Ca -0.00 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.43 2kjp h ASP 40 Cb 0.09 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 2kjp h ASP 40 CO -0.00 0.76 0.34 0.22 -2.88 0.00 0.00 179.24 177.68 2kjp h TYR 41 N 1.26 0.65 -0.55 0.28 3.20 -0.28 -2.41 116.97 119.12 2kjp h TYR 41 Ca 0.37 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.21 2kjp h TYR 41 Cb -0.08 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 2kjp h TYR 41 CO -0.00 0.41 0.19 0.82 -1.64 0.00 0.00 178.16 177.93 2kjp h ILE 42 N 0.70 1.23 -2.38 1.81 2.04 -0.75 -3.46 117.51 116.69 2kjp h ILE 42 Ca 0.19 -0.76 -0.34 0.00 1.00 0.00 0.00 64.86 64.95 2kjp h ILE 42 Cb -0.08 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 2kjp h ILE 42 CO -0.04 0.29 -0.38 -0.24 0.00 0.00 0.00 178.15 177.78 2kjp n SER 43 N -4.47 -4.74 -0.45 1.72 2.88 -0.50 -0.66 113.62 107.40 2kjp n SER 43 Ca 0.02 0.24 -0.06 0.00 -1.33 0.00 0.00 58.87 57.74 2kjp n SER 43 Cb 0.19 -4.11 -0.02 0.00 -0.75 0.00 0.00 64.21 59.51 2kjp n SER 43 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kjp n SER 44 N -1.46 -5.71 -3.20 -3.46 7.64 -1.26 -4.82 113.62 101.35 2kjp n SER 44 Ca -0.19 0.14 -0.18 0.00 1.01 0.00 0.00 58.87 59.65 2kjp n SER 44 Cb 0.61 -3.72 -0.03 0.00 -1.01 0.00 0.00 64.21 60.06 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 -0.16 0.92 -4.06 1.43 4.76 0.17 -4.57 118.16 116.65 2kjp n LYS 45 Ca -0.06 -1.06 -0.23 0.00 -2.87 0.00 0.00 58.31 54.09 2kjp n LYS 45 Cb 0.53 -2.33 -0.04 0.00 -1.84 0.00 0.00 35.03 31.35 2kjp n LYS 45 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kjp s LYS 46 N 4.68 3.06 0.00 1.97 1.02 -1.26 -4.57 119.74 124.64 2kjp s LYS 46 Ca 0.29 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2kjp s LYS 46 Cb 0.07 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2kjp s LYS 46 CO 0.04 0.44 0.00 0.00 -0.92 0.00 0.00 175.35 174.92 2kjp n ALA 47 N -0.93 -2.52 0.00 5.17 0.00 -1.25 -4.74 120.51 116.24 2kjp n ALA 47 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kjp n ALA 47 Cb 0.56 0.00 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 0.11 2.91 3.78 0.00 0.00 -1.26 -5.01 105.19 105.72 2kjp n GLY 48 Ca 0.00 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 6.22 0.26 1.61 2.15 -1.26 -4.87 116.67 120.78 2kjp s ASP 49 Ca 0.00 2.10 0.11 0.00 0.43 0.00 0.00 52.55 55.19 2kjp s ASP 49 Cb 0.00 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 2kjp s ASP 49 CO 0.00 -0.87 -0.11 -0.54 -0.17 0.00 0.00 175.17 173.48 2kjp s LYS 50 N -2.98 1.97 -0.04 4.34 1.02 -1.26 -3.15 119.74 119.64 2kjp s LYS 50 Ca 0.66 -1.57 -0.29 0.00 0.02 0.00 0.00 55.97 54.80 2kjp s LYS 50 Cb -0.22 -1.97 0.06 0.00 -0.52 0.00 0.00 37.83 35.18 2kjp s LYS 50 CO 0.27 0.36 0.64 0.54 -0.92 0.00 0.00 175.35 176.23 2kjp s VAL 51 N -2.33 0.01 -0.22 3.17 0.11 -1.26 -5.03 120.40 114.85 2kjp s VAL 51 Ca 0.30 -0.06 -0.07 0.00 -2.93 0.00 0.00 61.98 59.22 2kjp s VAL 51 Cb -0.06 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2kjp s VAL 51 CO 0.17 -0.03 0.05 -0.89 -3.33 0.00 0.00 175.10 171.07 2kjp s THR 52 N -1.32 4.35 -0.13 5.04 2.01 -1.26 -4.71 115.64 119.63 2kjp s THR 52 Ca -0.11 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.75 2kjp s THR 52 Cb -0.01 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.50 2kjp s THR 52 CO 0.08 0.39 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.43 2kjp s LEU 53 N 1.19 2.23 -0.08 4.42 1.43 -1.26 -2.18 118.68 124.43 2kjp s LEU 53 Ca 0.04 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.41 2kjp s LEU 53 Cb -0.14 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2kjp s LEU 53 CO 0.03 0.11 0.53 -0.54 0.23 0.00 0.00 176.35 176.72 2kjp s LYS 54 N 0.62 4.32 0.22 1.70 1.02 -1.14 -4.82 119.74 121.66 2kjp s LYS 54 Ca -0.11 0.58 0.03 0.00 0.02 0.00 0.00 55.97 56.49 2kjp s LYS 54 Cb -0.16 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 2kjp s LYS 54 CO 0.03 0.23 -0.01 0.42 -0.92 0.00 0.00 175.35 175.10 2kjp s ILE 55 N 0.35 1.01 -0.05 2.17 1.01 -1.26 -1.22 121.20 123.22 2kjp s ILE 55 Ca 0.29 -2.03 0.03 0.00 0.00 0.00 0.00 60.65 58.94 2kjp s ILE 55 Cb -0.16 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.00 2kjp s ILE 55 CO 0.13 -0.35 -0.14 -0.70 0.00 0.00 0.00 174.94 173.88 2kjp s GLU 56 N -3.86 1.67 -0.03 2.79 2.12 -1.26 -3.59 118.70 116.53 2kjp s GLU 56 Ca 0.28 -0.50 -0.01 0.00 0.36 0.00 0.00 54.97 55.10 2kjp s GLU 56 Cb 0.06 -1.42 0.03 0.00 0.26 0.00 0.00 34.13 33.05 2kjp s GLU 56 CO 0.08 0.14 0.04 1.03 -0.54 0.00 0.00 175.26 176.01 2kjp s ARG 57 N 0.30 0.00 -1.67 4.30 0.52 -0.12 -4.71 118.95 117.58 2kjp s ARG 57 Ca -0.08 0.25 -0.13 0.00 -0.52 0.00 0.00 55.73 55.25 2kjp s ARG 57 Cb -0.13 -0.41 0.12 0.00 0.52 0.00 0.00 34.95 35.06 2kjp s ARG 57 CO 0.03 -0.24 0.55 -1.91 0.02 0.00 0.00 175.30 173.75 2kjp n GLU 58 N 4.67 -2.26 -2.46 3.54 2.13 -1.26 0.12 120.64 125.12 2kjp n GLU 58 Ca -0.17 0.28 -0.18 0.00 0.66 0.00 0.00 57.16 57.75 2kjp n GLU 58 Cb 0.50 -4.66 0.00 0.00 0.27 0.00 0.00 31.44 27.56 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 -4.35 -2.02 -3.66 5.31 1.02 -1.26 -5.00 120.64 110.68 2kjp n GLU 59 Ca -0.05 0.83 -0.20 0.00 -0.02 0.00 0.00 57.16 57.71 2kjp n GLU 59 Cb 0.55 -5.31 -0.18 0.00 -0.02 0.00 0.00 31.44 26.48 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 -5.02 -0.06 0.25 3.49 1.02 0.32 -5.15 119.74 114.60 2kjp s LYS 60 Ca 0.06 0.36 -0.18 0.00 0.02 0.00 0.00 55.97 56.22 2kjp s LYS 60 Cb -0.03 -0.59 -0.08 0.00 -0.52 0.00 0.00 37.83 36.61 2kjp s LYS 60 CO 0.07 -0.35 0.73 -1.21 -0.92 0.00 0.00 175.35 173.67 2kjp s GLU 61 N 2.18 4.18 0.08 1.68 2.02 -1.26 -0.95 118.70 126.64 2kjp s GLU 61 Ca 0.05 0.82 0.03 0.00 0.02 0.00 0.00 54.97 55.88 2kjp s GLU 61 Cb -0.12 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 2kjp s GLU 61 CO -0.04 0.33 -0.09 0.15 0.02 0.00 0.00 175.26 175.63 2kjp s LYS 62 N -2.25 0.76 -0.07 1.61 1.02 -1.24 -4.98 119.74 114.59 2kjp s LYS 62 Ca 0.46 -1.09 0.01 0.00 0.02 0.00 0.00 55.97 55.38 2kjp s LYS 62 Cb -0.15 -0.41 0.02 0.00 -0.52 0.00 0.00 37.83 36.77 2kjp s LYS 62 CO 0.20 0.06 -0.10 0.50 -0.92 0.00 0.00 175.35 175.09 2kjp s ARG 63 N -2.67 1.50 -0.02 1.68 3.52 -1.26 -4.25 118.95 117.44 2kjp s ARG 63 Ca 0.03 -0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 2kjp s ARG 63 Cb -0.03 -1.35 0.02 0.00 -1.56 0.00 0.00 34.95 32.02 2kjp s ARG 63 CO -0.01 -0.07 -0.02 0.08 -0.81 0.00 0.00 175.30 174.48 2kjp s VAL 64 N 0.99 0.25 -0.34 7.11 1.01 -1.26 -5.13 120.40 123.04 2kjp s VAL 64 Ca -0.09 -0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 2kjp s VAL 64 Cb -0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2kjp s VAL 64 CO -0.00 0.14 0.29 -0.89 0.00 0.00 0.00 175.10 174.64 2kjp s THR 65 N 0.73 5.23 0.16 3.92 2.01 -1.26 -4.81 115.64 121.62 2kjp s THR 65 Ca -0.08 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2kjp s THR 65 Cb -0.11 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 2kjp s THR 65 CO -0.01 -0.03 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.67 2kjp s LEU 66 N 1.86 2.13 -0.09 4.42 2.96 -1.26 -5.15 118.68 123.54 2kjp s LEU 66 Ca 0.09 -1.16 -0.11 0.00 -0.22 0.00 0.00 54.13 52.73 2kjp s LEU 66 Cb -0.17 -0.03 -0.05 0.00 0.50 0.00 0.00 46.19 46.45 2kjp s LEU 66 CO 0.11 -0.57 0.26 0.28 -1.32 0.00 0.00 176.35 175.11 2kjp s THR 67 N -3.69 5.31 1.23 3.68 -1.32 -1.26 -4.41 115.64 115.18 2kjp s THR 67 Ca 0.23 0.48 -0.15 0.00 -1.21 0.00 0.00 61.69 61.04 2kjp s THR 67 Cb 0.06 -3.55 0.31 0.00 -1.51 0.00 0.00 72.50 67.81 2kjp s THR 67 CO 0.03 0.56 1.00 -0.76 -2.21 0.00 0.00 174.62 173.24 2kjp s LEU 68 N -0.70 0.33 0.16 9.08 1.43 -1.19 -4.86 118.68 122.93 2kjp s LEU 68 Ca 0.18 1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 2kjp s LEU 68 Cb -0.14 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.96 2kjp s LEU 68 CO 0.07 -4.50 0.32 -0.75 0.23 0.00 0.00 176.35 171.71 2kjp s LYS 69 N -4.58 1.14 0.02 1.70 2.47 -1.26 -3.82 119.74 115.41 2kjp s LYS 69 Ca 0.69 -1.06 0.08 0.00 -1.56 0.00 0.00 55.97 54.11 2kjp s LYS 69 Cb -0.23 0.40 -0.02 0.00 -1.46 0.00 0.00 37.83 36.52 2kjp s LYS 69 CO 0.63 -0.43 -0.22 1.14 0.16 0.00 0.00 175.35 176.63 2kjp s GLN 70 N -3.92 1.61 0.09 4.03 -2.07 -1.26 -4.39 119.66 113.74 2kjp s GLN 70 Ca 0.13 -0.92 -0.31 0.00 -1.82 0.00 0.00 55.36 52.44 2kjp s GLN 70 Cb 0.03 -1.68 -0.17 0.00 -1.09 0.00 0.00 33.01 30.10 2kjp s GLN 70 CO -0.03 0.44 0.73 1.19 -1.32 0.00 0.00 175.29 176.30 2kjp n PHE 71 N 2.07 0.07 0.56 9.60 3.72 -1.26 -4.84 117.46 127.39 2kjp n PHE 71 Ca -0.16 0.93 0.11 0.00 -0.05 0.00 0.00 57.45 58.28 2kjp n PHE 71 Cb 0.53 -1.85 0.45 0.00 -0.94 0.00 0.00 39.48 37.67 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 1.14 0.14 -0.23 -1.08 -0.04 -1.26 -2.88 135.00 130.79 2kjp n PRO 72 Ca 0.17 0.27 0.06 0.00 -0.04 0.00 0.00 63.50 63.97 2kjp n PRO 72 Cb 0.15 -1.72 0.18 0.00 -0.04 0.00 0.00 33.50 32.07 2kjp n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kjp n ASP 73 N -1.97 3.15 -2.73 3.54 2.03 -1.26 -4.73 116.55 114.58 2kjp n ASP 73 Ca 0.04 -2.12 -0.08 0.00 0.52 0.00 0.00 54.79 53.15 2kjp n ASP 73 Cb 0.28 -0.29 0.07 0.00 -0.72 0.00 0.00 41.12 40.45 2kjp n ASP 73 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2kjp n GLU 74 N 0.50 0.75 0.00 -0.67 2.13 -1.14 -4.99 120.64 117.21 2kjp n GLU 74 Ca 0.14 -1.64 0.09 0.00 0.66 0.00 0.00 57.16 56.42 2kjp n GLU 74 Cb 0.50 -1.18 0.43 0.00 0.27 0.00 0.00 31.44 31.46 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2kjp n PRO 75 N 1.27 0.06 0.00 5.31 -0.04 -1.22 -2.40 135.00 137.98 2kjp n PRO 75 Ca 0.07 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 63.82 2kjp n PRO 75 Cb 0.66 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 33.25 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 -1.45 0.00 -3.84 3.54 8.00 -1.26 -4.84 116.55 116.70 2kjp n ASP 76 Ca 0.06 0.42 -0.10 0.00 0.71 0.00 0.00 54.79 55.88 2kjp n ASP 76 Cb 0.21 -0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 40.76 2kjp n ASP 76 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2kjp s ARG 77 N -2.95 0.76 0.15 -1.24 3.52 -1.01 -5.18 118.95 113.01 2kjp s ARG 77 Ca 0.16 -0.74 -0.02 0.00 -0.13 0.00 0.00 55.73 54.99 2kjp s ARG 77 Cb 0.19 0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 33.86 2kjp s ARG 77 CO 0.52 -0.23 0.11 0.00 -0.81 0.00 0.00 175.30 174.88 2kjp s ALA 78 N -3.07 0.78 0.00 6.12 0.00 -1.26 -4.48 121.76 119.86 2kjp s ALA 78 Ca -0.01 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.52 2kjp s ALA 78 Cb 0.01 0.96 0.00 0.00 0.00 0.00 0.00 23.12 24.09 2kjp s ALA 78 CO -0.07 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2kjp n GLY 79 N -0.14 3.47 3.72 0.00 0.00 -1.26 -4.75 105.19 106.22 2kjp n GLY 79 Ca -0.04 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2kjp n GLY 79 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kjp s ILE 80 N 0.00 2.65 -0.30 -0.61 -4.36 -1.26 -5.05 121.20 112.28 2kjp s ILE 80 Ca 0.00 0.23 -0.17 0.00 -0.26 0.00 0.00 60.65 60.46 2kjp s ILE 80 Cb 0.00 -2.53 0.18 0.00 1.25 0.00 0.00 42.46 41.36 2kjp s ILE 80 CO 0.00 -0.26 1.13 -0.83 0.24 0.00 0.00 174.94 175.23 2kjp s GLY 81 N -2.86 0.23 0.42 6.27 0.00 -1.26 -5.06 107.32 105.05 2kjp s GLY 81 Ca 0.66 3.46 -0.25 0.00 0.00 0.00 0.00 44.72 48.58 2kjp s GLY 81 CO 0.54 2.95 1.21 -1.34 0.00 0.00 0.00 173.10 176.47 2kjp s VAL 82 N 1.62 2.95 0.00 1.40 -7.23 -1.26 -5.01 120.40 112.87 2kjp s VAL 82 Ca -0.05 0.80 0.00 0.00 -1.81 0.00 0.00 61.98 60.91 2kjp s VAL 82 Cb -0.03 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.46 2kjp s VAL 82 CO -0.14 0.07 0.00 -1.54 -0.31 0.00 0.00 175.10 173.18 2kjp n SER 83 N -0.03 0.00 -2.46 4.85 3.41 -1.26 -5.01 113.62 113.12 2kjp n SER 83 Ca 0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.64 2kjp n SER 83 Cb 0.46 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 2kjp n SER 83 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kjp n LEU 84 N 0.00 -5.39 -0.21 1.04 4.77 -1.26 -4.83 117.00 111.12 2kjp n LEU 84 Ca 0.00 2.26 0.01 0.00 -0.03 0.00 0.00 56.01 58.25 2kjp n LEU 84 Cb 0.00 -2.87 0.25 0.00 -2.33 0.00 0.00 43.42 38.47 2kjp n LEU 84 CO 0.00 -3.12 1.24 -0.33 -1.33 0.00 0.00 177.39 173.85 2kjp h GLU 85 N 4.30 0.98 -1.59 3.23 5.08 -2.06 -3.43 114.58 121.08 2kjp h GLU 85 Ca -0.19 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.21 2kjp h GLU 85 Cb 0.42 -0.22 -0.26 0.00 0.50 0.00 0.00 28.75 29.19 2kjp h GLU 85 CO 0.00 0.65 0.35 -1.58 -1.00 0.00 0.00 179.01 177.43 2kjp s HIS 86 N -5.84 -0.62 -0.29 4.33 5.04 -1.26 -5.17 115.29 111.49 2kjp s HIS 86 Ca -0.11 1.26 -0.16 0.00 -1.54 0.00 0.00 55.06 54.51 2kjp s HIS 86 Cb 0.18 0.38 0.14 0.00 0.04 0.00 0.00 32.58 33.32 2kjp s HIS 86 CO 0.78 -0.31 0.97 -1.58 -2.34 0.00 0.00 174.74 172.27 2kjp s HIS 87 N 1.25 -0.58 -0.29 3.88 2.46 -1.26 -5.17 115.29 115.58 2kjp s HIS 87 Ca -0.08 1.16 -0.16 0.00 0.47 0.00 0.00 55.06 56.46 2kjp s HIS 87 Cb -0.04 0.35 0.15 0.00 -0.13 0.00 0.00 32.58 32.91 2kjp s HIS 87 CO -0.15 -0.29 0.98 -1.58 -2.47 0.00 0.00 174.74 171.24 2kjp s HIS 88 N 1.38 -0.60 0.00 3.88 5.04 -1.26 -5.04 115.29 118.69 2kjp s HIS 88 Ca -0.09 1.14 0.00 0.00 -1.54 0.00 0.00 55.06 54.57 2kjp s HIS 88 Cb -0.04 0.36 0.00 0.00 0.04 0.00 0.00 32.58 32.94 2kjp s HIS 88 CO -0.15 -0.30 0.00 1.58 -2.34 0.00 0.00 174.74 173.53 2kjp n HIS 89 N 4.14 0.00 -2.09 3.88 -0.00 -1.26 -5.12 115.22 114.77 2kjp n HIS 89 Ca -0.15 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.15 2kjp n HIS 89 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.52 2kjp n HIS 89 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kjp s HIS 90 N -0.63 3.17 0.00 1.57 5.04 -1.26 -5.41 115.29 117.76 2kjp s HIS 90 Ca 0.00 0.83 0.00 0.00 -1.54 0.00 0.00 55.06 54.35 2kjp s HIS 90 Cb 0.00 -3.77 0.00 0.00 0.04 0.00 0.00 32.58 28.85 2kjp s HIS 90 CO 0.00 -2.75 0.00 1.58 -2.34 0.00 0.00 174.74 171.23