#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj9 s SER 2 N 0.00 6.45 0.13 4.39 0.01 -1.26 -5.06 113.70 118.36 2kj9 s SER 2 Ca 0.00 0.47 0.06 0.00 1.31 0.00 0.00 55.95 57.79 2kj9 s SER 2 Cb 0.00 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 2kj9 s SER 2 CO 0.00 -0.35 0.01 0.68 0.41 0.00 0.00 173.24 173.99 2kj9 s VAL 3 N 2.39 3.92 -0.08 3.43 -7.23 -1.26 -5.13 120.40 116.44 2kj9 s VAL 3 Ca 0.22 -1.18 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 2kj9 s VAL 3 Cb -0.15 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 2kj9 s VAL 3 CO 0.10 0.01 -0.14 -1.10 -0.31 0.00 0.00 175.10 173.66 2kj9 s GLN 4 N -2.63 2.87 0.31 4.82 -0.21 -1.26 -5.11 119.66 118.45 2kj9 s GLN 4 Ca 0.27 -0.69 -0.27 0.00 0.02 0.00 0.00 55.36 54.68 2kj9 s GLN 4 Cb -0.11 -2.48 -0.09 0.00 1.00 0.00 0.00 33.01 31.33 2kj9 s GLN 4 CO 0.19 0.45 1.02 -2.00 -2.12 0.00 0.00 175.29 172.83 2kj9 s GLU 5 N -0.29 4.55 0.00 2.91 2.56 -1.26 -4.96 118.70 122.22 2kj9 s GLU 5 Ca 0.02 1.57 0.14 0.00 0.00 0.00 0.00 54.97 56.70 2kj9 s GLU 5 Cb -0.13 -2.96 -0.05 0.00 2.00 0.00 0.00 34.13 32.99 2kj9 s GLU 5 CO 0.03 0.20 0.73 1.63 -0.56 0.00 0.00 175.26 177.28 2kj9 n LYS 6 N 0.80 2.01 -3.77 4.30 5.02 -1.26 -4.75 118.16 120.52 2kj9 n LYS 6 Ca 0.01 -0.51 -0.36 0.00 -2.02 0.00 0.00 58.31 55.43 2kj9 n LYS 6 Cb 0.48 -1.20 -0.11 0.00 -0.02 0.00 0.00 35.03 34.18 2kj9 n LYS 6 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2kj9 s ARG 7 N -1.93 2.28 -0.19 1.97 3.52 -1.26 -5.07 118.95 118.27 2kj9 s ARG 7 Ca 0.10 -2.26 -0.26 0.00 -0.13 0.00 0.00 55.73 53.18 2kj9 s ARG 7 Cb 0.11 -3.63 -0.01 0.00 -1.56 0.00 0.00 34.95 29.86 2kj9 s ARG 7 CO 0.43 -1.12 0.87 1.21 -0.81 0.00 0.00 175.30 175.87 2kj9 s ASN 8 N 1.04 6.97 -0.32 -2.12 3.84 -1.26 -5.01 114.94 118.08 2kj9 s ASN 8 Ca 0.14 1.20 0.03 0.00 0.21 0.00 0.00 52.86 54.43 2kj9 s ASN 8 Cb -0.22 -2.47 0.09 0.00 -0.55 0.00 0.00 41.25 38.11 2kj9 s ASN 8 CO -0.04 -0.46 0.04 0.20 -2.79 0.00 0.00 177.10 174.05 2kj9 s ASN 9 N 1.20 4.53 0.35 -4.21 0.01 -1.26 -5.12 114.94 110.44 2kj9 s ASN 9 Ca 0.39 -1.93 -0.26 0.00 -0.71 0.00 0.00 52.86 50.35 2kj9 s ASN 9 Cb -0.16 -1.44 -0.09 0.00 0.41 0.00 0.00 41.25 39.97 2kj9 s ASN 9 CO 0.11 -0.36 1.09 0.42 -1.51 0.00 0.00 177.10 176.85 2kj9 s THR 10 N 1.09 3.51 -1.47 1.60 -4.23 -1.26 -4.93 115.64 109.94 2kj9 s THR 10 Ca 0.08 1.32 -0.09 0.00 -1.18 0.00 0.00 61.69 61.82 2kj9 s THR 10 Cb -0.19 -3.77 0.02 0.00 1.34 0.00 0.00 72.50 69.91 2kj9 s THR 10 CO -0.11 0.17 2.55 0.54 -0.54 0.00 0.00 174.62 177.23 2kj9 n ARG 11 N 0.48 3.81 -4.40 3.99 1.74 -1.26 -4.38 116.66 116.64 2kj9 n ARG 11 Ca 0.02 -2.78 -0.26 0.00 -0.77 0.00 0.00 57.85 54.06 2kj9 n ARG 11 Cb 0.47 -2.85 -0.11 0.00 -1.02 0.00 0.00 32.46 28.95 2kj9 n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kj9 s ALA 12 N 1.19 2.69 0.53 7.54 0.00 -1.26 -4.72 121.76 127.72 2kj9 s ALA 12 Ca 0.58 -1.65 0.23 0.00 0.00 0.00 0.00 51.96 51.12 2kj9 s ALA 12 Cb 0.16 -0.42 1.37 0.00 0.00 0.00 0.00 23.12 24.23 2kj9 s ALA 12 CO -0.07 0.41 2.03 0.35 0.00 0.00 0.00 175.76 178.48 2kj9 h PHE 13 N 2.93 0.00 0.39 0.00 3.57 -1.83 -1.39 116.94 120.60 2kj9 h PHE 13 Ca -0.45 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 2kj9 h PHE 13 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2kj9 h PHE 13 CO 0.70 0.00 -0.19 0.87 -2.23 0.00 0.00 178.31 177.47 2kj9 h LYS 14 N 0.00 -0.50 -0.15 1.11 1.57 -1.92 0.28 116.57 116.97 2kj9 h LYS 14 Ca 0.19 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2kj9 h LYS 14 Cb 0.77 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2kj9 h LYS 14 CO -0.00 -0.22 -0.01 1.15 -0.57 0.00 0.00 179.45 179.81 2kj9 h THR 15 N -1.03 1.10 -0.08 -0.16 2.02 -1.71 0.25 112.91 113.32 2kj9 h THR 15 Ca -0.05 -0.40 -0.12 0.00 0.77 0.00 0.00 66.41 66.61 2kj9 h THR 15 Cb 0.51 1.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2kj9 h THR 15 CO 0.09 0.13 -0.42 0.58 0.37 0.00 0.00 175.52 176.27 2kj9 h VAL 16 N 0.21 1.40 -0.79 3.16 2.07 -1.28 -0.26 116.25 120.76 2kj9 h VAL 16 Ca 0.05 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 2kj9 h VAL 16 Cb 0.16 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 2kj9 h VAL 16 CO 0.00 0.53 0.45 0.00 0.02 0.00 0.00 177.57 178.57 2kj9 h ALA 17 N 0.43 1.30 -0.45 1.67 0.00 -0.53 0.54 119.26 122.22 2kj9 h ALA 17 Ca -0.03 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2kj9 h ALA 17 Cb 1.07 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2kj9 h ALA 17 CO 0.09 0.58 0.13 -0.22 0.00 0.00 0.00 179.25 179.83 2kj9 h LYS 18 N 1.10 0.28 -0.35 0.00 3.64 -0.40 0.28 116.57 121.12 2kj9 h LYS 18 Ca 0.28 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 2kj9 h LYS 18 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2kj9 h LYS 18 CO -0.05 0.18 -0.20 0.77 -2.27 0.00 0.00 179.45 177.89 2kj9 h SER 19 N 0.29 0.79 -0.52 4.20 0.02 -0.21 -2.58 113.55 115.54 2kj9 h SER 19 Ca 0.21 -0.42 0.04 0.00 -0.84 0.00 0.00 61.79 60.78 2kj9 h SER 19 Cb 0.24 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 2kj9 h SER 19 CO -0.24 1.03 0.28 -0.25 -1.14 0.00 0.00 176.83 176.52 2kj9 h TRP 20 N 0.54 0.53 -0.80 3.45 7.01 0.50 -1.43 115.95 125.75 2kj9 h TRP 20 Ca 0.08 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.10 2kj9 h TRP 20 Cb 0.75 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.61 2kj9 h TRP 20 CO 0.06 0.28 0.53 0.35 -2.79 0.00 0.00 178.44 176.86 2kj9 h PHE 21 N 0.56 1.00 0.00 2.65 3.57 -0.42 -0.71 116.94 123.59 2kj9 h PHE 21 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2kj9 h PHE 21 Cb 0.09 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.49 2kj9 h PHE 21 CO -0.08 0.64 0.00 0.00 -2.23 0.00 0.00 178.31 176.63 2kj9 n ALA 22 N -2.32 2.51 -0.25 2.41 0.00 -0.72 -2.34 120.51 119.80 2kj9 n ALA 22 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2kj9 n ALA 22 Cb 0.02 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2kj9 n ALA 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kj9 n THR 23 N -0.69 0.58 -3.47 0.00 -1.04 -0.36 -5.00 114.28 104.31 2kj9 n THR 23 Ca 0.09 -0.67 -0.43 0.00 -2.04 0.00 0.00 64.05 61.00 2kj9 n THR 23 Cb 0.04 0.76 -0.09 0.00 -1.82 0.00 0.00 70.33 69.22 2kj9 n THR 23 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2kj9 s LYS 24 N -0.58 2.91 -0.06 -2.82 -0.14 -0.65 -4.84 119.74 113.55 2kj9 s LYS 24 Ca 0.00 -1.21 0.10 0.00 -1.36 0.00 0.00 55.97 53.50 2kj9 s LYS 24 Cb 0.00 -3.98 0.27 0.00 -1.68 0.00 0.00 37.83 32.44 2kj9 s LYS 24 CO 0.00 -0.88 1.21 0.25 -0.76 0.00 0.00 175.35 175.17 2kj9 n THR 25 N 5.12 1.40 0.18 2.17 -2.24 -1.26 -4.67 114.28 114.98 2kj9 n THR 25 Ca -0.12 -1.37 0.07 0.00 -2.27 0.00 0.00 64.05 60.36 2kj9 n THR 25 Cb 0.45 0.23 0.15 0.00 -2.10 0.00 0.00 70.33 69.06 2kj9 n THR 25 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2kj9 h THR 26 N 1.17 0.56 -2.17 4.28 2.02 -1.99 -3.46 112.91 113.32 2kj9 h THR 26 Ca 0.00 -1.68 -0.56 0.00 0.77 0.00 0.00 66.41 64.94 2kj9 h THR 26 Cb 0.86 2.18 -0.13 0.00 -1.74 0.00 0.00 68.15 69.32 2kj9 h THR 26 CO 0.05 0.31 -0.60 0.26 0.37 0.00 0.00 175.52 175.91 2kj9 s TRP 27 N -3.16 2.22 0.79 3.16 0.51 -1.26 -5.14 118.94 116.06 2kj9 s TRP 27 Ca 0.04 -0.83 -0.11 0.00 -2.12 0.00 0.00 56.10 53.08 2kj9 s TRP 27 Cb 0.07 -1.53 0.06 0.00 -0.81 0.00 0.00 33.47 31.26 2kj9 s TRP 27 CO 0.70 0.22 1.09 -1.12 -0.51 0.00 0.00 176.95 177.33 2kj9 s SER 28 N -3.61 4.55 0.08 2.95 0.01 -1.26 -4.77 113.70 111.65 2kj9 s SER 28 Ca 0.34 1.45 -0.34 0.00 1.31 0.00 0.00 55.95 58.71 2kj9 s SER 28 Cb 0.09 -2.21 -0.16 0.00 0.21 0.00 0.00 66.02 63.95 2kj9 s SER 28 CO 0.16 -1.95 1.59 -0.08 0.41 0.00 0.00 173.24 173.37 2kj9 h GLU 29 N -1.07 -0.91 -0.25 12.44 4.81 -1.98 0.42 114.58 128.04 2kj9 h GLU 29 Ca -0.46 0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 58.70 2kj9 h GLU 29 Cb 1.25 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 2kj9 h GLU 29 CO 0.57 -0.61 -0.37 0.22 -0.73 0.00 0.00 179.01 178.10 2kj9 h ASP 30 N -0.94 0.58 -0.27 1.04 3.58 -1.98 -0.58 116.42 117.84 2kj9 h ASP 30 Ca -0.06 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 2kj9 h ASP 30 Cb 0.80 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2kj9 h ASP 30 CO -0.00 0.90 0.15 0.22 -2.88 0.00 0.00 179.24 177.62 2kj9 h TYR 31 N 0.46 0.37 -0.57 0.28 5.03 -1.89 0.38 116.97 121.04 2kj9 h TYR 31 Ca 0.05 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.26 2kj9 h TYR 31 Cb 0.86 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.99 2kj9 h TYR 31 CO 0.03 0.32 0.01 0.37 -1.32 0.00 0.00 178.16 177.57 2kj9 h GLN 32 N 0.32 0.97 -0.57 1.82 5.75 0.10 -1.56 115.11 121.94 2kj9 h GLN 32 Ca 0.10 -0.28 -0.03 0.00 -0.15 0.00 0.00 58.65 58.29 2kj9 h GLN 32 Cb 0.07 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 2kj9 h GLN 32 CO -0.02 0.95 0.25 -0.09 -2.65 0.00 0.00 178.83 177.27 2kj9 h ARG 33 N 0.89 0.84 -0.88 1.69 2.43 -0.86 0.13 114.38 118.63 2kj9 h ARG 33 Ca 0.17 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2kj9 h ARG 33 Cb 0.50 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 2kj9 h ARG 33 CO 0.02 0.70 0.57 0.77 -1.51 0.00 0.00 179.97 180.53 2kj9 h SER 34 N 0.78 0.91 0.20 -3.80 0.02 -0.52 0.43 113.55 111.57 2kj9 h SER 34 Ca 0.19 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2kj9 h SER 34 Cb 0.16 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2kj9 h SER 34 CO -0.02 0.61 -0.09 0.58 -1.14 0.00 0.00 176.83 176.77 2kj9 h VAL 35 N 1.05 0.89 -0.64 2.27 2.07 -0.67 -2.65 116.25 118.57 2kj9 h VAL 35 Ca 0.36 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2kj9 h VAL 35 Cb 0.10 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2kj9 h VAL 35 CO -0.12 0.10 0.32 -0.25 0.02 0.00 0.00 177.57 177.64 2kj9 h TRP 36 N -0.49 0.58 -0.40 1.57 2.91 -0.46 0.14 115.95 119.80 2kj9 h TRP 36 Ca -0.03 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.05 2kj9 h TRP 36 Cb 0.37 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 28.82 2kj9 h TRP 36 CO 0.00 0.24 0.20 1.15 -1.03 0.00 0.00 178.44 179.00 2kj9 h THR 37 N 0.58 0.99 0.00 2.65 2.02 -0.94 -1.25 112.91 116.96 2kj9 h THR 37 Ca 0.30 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 67.25 2kj9 h THR 37 Cb 0.27 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2kj9 h THR 37 CO -0.23 0.08 -0.44 0.03 0.37 0.00 0.00 175.52 175.33 2kj9 h ARG 38 N 0.42 0.00 0.21 6.66 3.08 -0.98 -2.00 114.38 121.78 2kj9 h ARG 38 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2kj9 h ARG 38 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2kj9 h ARG 38 CO -0.11 0.44 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.06 2kj9 h LEU 39 N 0.00 -0.24 -1.83 3.04 3.38 0.01 0.32 115.31 119.99 2kj9 h LEU 39 Ca -0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2kj9 h LEU 39 Cb 0.89 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2kj9 h LEU 39 CO 0.06 -0.09 -0.13 -0.33 0.09 0.00 0.00 178.44 178.03 2kj9 h GLU 40 N -0.38 0.00 0.03 1.13 5.08 -1.07 0.20 114.58 119.57 2kj9 h GLU 40 Ca -0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2kj9 h GLU 40 Cb 0.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.54 2kj9 h GLU 40 CO 0.05 0.13 -0.21 1.15 -1.00 0.00 0.00 179.01 179.13 2kj9 h THR 41 N 0.00 1.68 0.00 1.13 2.02 -1.07 -3.38 112.91 113.28 2kj9 h THR 41 Ca -0.00 -2.27 -0.30 0.00 0.77 0.00 0.00 66.41 64.61 2kj9 h THR 41 Cb 0.25 3.20 -0.05 0.00 -1.74 0.00 0.00 68.15 69.81 2kj9 h THR 41 CO 0.02 0.61 -2.06 -1.22 0.37 0.00 0.00 175.52 173.23 2kj9 n TYR 42 N -4.50 0.00 -0.75 3.16 4.01 0.08 -4.62 117.16 114.53 2kj9 n TYR 42 Ca -0.11 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.58 2kj9 n TYR 42 Cb 0.54 -0.70 0.26 0.00 -0.31 0.00 0.00 39.34 39.14 2kj9 n TYR 42 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2kj9 n LEU 43 N -3.43 5.57 0.01 7.72 7.94 0.64 -4.32 117.00 131.13 2kj9 n LEU 43 Ca -0.35 -2.89 0.00 0.00 -1.11 0.00 0.00 56.01 51.66 2kj9 n LEU 43 Cb 0.81 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 44.04 2kj9 n LEU 43 CO 0.11 0.75 -0.33 0.49 -1.11 0.00 0.00 177.39 177.29 2kj9 n PHE 44 N -0.09 -0.10 0.33 1.96 3.01 -0.88 -4.59 117.46 117.10 2kj9 n PHE 44 Ca 0.36 0.02 0.22 0.00 1.01 0.00 0.00 57.45 59.05 2kj9 n PHE 44 Cb 1.26 0.10 1.14 0.00 -0.01 0.00 0.00 39.48 41.96 2kj9 n PHE 44 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2kj9 h PRO 45 N 0.00 0.00 0.00 -1.08 0.13 -1.76 0.73 132.00 130.02 2kj9 h PRO 45 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kj9 h PRO 45 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2kj9 h PRO 45 CO 0.00 0.00 -1.61 -0.25 -0.23 0.00 0.00 178.00 175.91 2kj9 n ASP 46 N -3.12 1.11 0.00 1.44 8.00 -1.26 -4.69 116.55 118.03 2kj9 n ASP 46 Ca -0.02 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2kj9 n ASP 46 Cb 0.11 1.64 0.00 0.00 -0.02 0.00 0.00 41.12 42.85 2kj9 n ASP 46 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2kj9 n ILE 47 N -1.97 0.00 0.24 0.53 -5.35 -0.95 -4.75 119.36 107.11 2kj9 n ILE 47 Ca -0.02 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.57 2kj9 n ILE 47 Cb 0.41 0.10 0.60 0.00 -1.74 0.00 0.00 39.64 39.01 2kj9 n ILE 47 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2kj9 h GLY 48 N 0.00 0.00 -2.81 3.28 0.00 0.22 -1.50 103.07 102.26 2kj9 h GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kj9 h GLY 48 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 2kj9 n ASN 49 N -3.55 4.34 -4.01 0.19 6.94 -1.26 -4.49 115.26 113.42 2kj9 n ASN 49 Ca -0.01 -2.48 -0.14 0.00 -0.02 0.00 0.00 54.58 51.93 2kj9 n ASN 49 Cb 0.33 -0.56 0.04 0.00 -2.36 0.00 0.00 39.78 37.22 2kj9 n ASN 49 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2kj9 n LYS 50 N 0.83 0.74 0.00 -3.83 4.76 -0.57 -5.01 118.16 115.08 2kj9 n LYS 50 Ca 0.22 -2.16 0.13 0.00 -2.87 0.00 0.00 58.31 53.64 2kj9 n LYS 50 Cb 0.85 -0.14 0.48 0.00 -1.84 0.00 0.00 35.03 34.38 2kj9 n LYS 50 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kj9 n ASP 51 N -2.50 0.39 0.00 4.39 9.92 -1.26 -4.74 116.55 122.75 2kj9 n ASP 51 Ca 0.10 -0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 2kj9 n ASP 51 Cb 0.41 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 2kj9 n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kj9 n ILE 52 N -1.26 0.00 0.25 0.53 0.00 -1.26 -4.39 119.36 113.23 2kj9 n ILE 52 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 62.75 62.98 2kj9 n ILE 52 Cb 0.32 0.00 0.57 0.00 0.00 0.00 0.00 39.64 40.53 2kj9 n ILE 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kj9 h ALA 53 N 0.00 1.02 -0.48 1.51 0.00 -1.88 -2.53 119.26 116.89 2kj9 h ALA 53 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2kj9 h ALA 53 Cb 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 2kj9 h ALA 53 CO 0.00 0.12 0.09 0.39 0.00 0.00 0.00 179.25 179.86 2kj9 n GLU 54 N -3.23 3.14 -2.64 0.00 -0.58 -1.26 -4.91 120.64 111.15 2kj9 n GLU 54 Ca 0.00 -3.02 -0.42 0.00 -0.42 0.00 0.00 57.16 53.30 2kj9 n GLU 54 Cb 0.36 -2.01 -0.03 0.00 -0.57 0.00 0.00 31.44 29.20 2kj9 n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kj9 s LEU 55 N -2.97 3.57 0.64 -4.62 1.43 -0.96 -4.94 118.68 110.83 2kj9 s LEU 55 Ca 0.48 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.24 2kj9 s LEU 55 Cb 0.40 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 2kj9 s LEU 55 CO 0.09 -1.53 1.04 -0.62 0.23 0.00 0.00 176.35 175.57 2kj9 s ASP 56 N 3.21 5.84 0.25 2.29 2.15 -1.26 -4.84 116.67 124.31 2kj9 s ASP 56 Ca 0.37 1.58 -0.04 0.00 0.43 0.00 0.00 52.55 54.89 2kj9 s ASP 56 Cb -0.09 -2.49 0.50 0.00 -0.30 0.00 0.00 42.92 40.53 2kj9 s ASP 56 CO 0.20 -1.13 1.69 0.74 -0.17 0.00 0.00 175.17 176.49 2kj9 h THR 57 N -0.25 0.51 0.00 1.71 2.02 -1.95 0.07 112.91 115.02 2kj9 h THR 57 Ca -0.45 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.53 2kj9 h THR 57 Cb 1.20 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2kj9 h THR 57 CO 0.59 0.05 -0.52 1.23 0.37 0.00 0.00 175.52 177.25 2kj9 h GLY 58 N 0.29 0.00 2.00 2.16 0.00 -1.96 -0.45 103.07 105.11 2kj9 h GLY 58 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.64 2kj9 h GLY 58 CO -0.51 0.00 -0.60 -1.80 0.00 0.00 0.00 176.54 173.63 2kj9 h ASP 59 N 0.00 0.00 1.09 0.19 3.58 -1.47 -1.11 116.42 118.69 2kj9 h ASP 59 Ca -0.01 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 2kj9 h ASP 59 Cb 1.06 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.08 2kj9 h ASP 59 CO 0.07 0.60 -0.92 -0.07 -2.88 0.00 0.00 179.24 176.03 2kj9 h LEU 60 N 0.00 0.00 -1.64 2.28 3.38 -0.87 -3.10 115.31 115.35 2kj9 h LEU 60 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2kj9 h LEU 60 Cb 1.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 2kj9 h LEU 60 CO 0.08 0.88 -0.11 -0.07 0.09 0.00 0.00 178.44 179.31 2kj9 h LEU 61 N 0.00 0.00 0.49 1.67 3.38 -0.62 -2.88 115.31 117.35 2kj9 h LEU 61 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2kj9 h LEU 61 Cb 1.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 2kj9 h LEU 61 CO 0.11 0.11 -0.44 0.58 0.09 0.00 0.00 178.44 178.89 2kj9 h VAL 62 N 0.00 0.00 -0.51 1.22 2.07 -1.13 0.67 116.25 118.57 2kj9 h VAL 62 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2kj9 h VAL 62 Cb 0.48 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2kj9 h VAL 62 CO 0.01 0.00 0.10 1.55 0.02 0.00 0.00 177.57 179.26 2kj9 h PRO 63 N -0.92 0.78 0.39 1.57 0.13 -1.72 0.15 132.00 132.38 2kj9 h PRO 63 Ca -0.06 -0.16 -0.02 0.00 -0.87 0.00 0.00 66.00 64.88 2kj9 h PRO 63 Cb 0.78 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2kj9 h PRO 63 CO -0.02 0.72 -0.19 0.82 -0.23 0.00 0.00 178.00 179.10 2kj9 h ILE 64 N 0.75 0.61 -0.51 -3.56 2.04 -1.36 -2.25 117.51 113.24 2kj9 h ILE 64 Ca 0.16 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.79 2kj9 h ILE 64 Cb 0.31 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2kj9 h ILE 64 CO 0.00 0.05 0.34 0.50 0.00 0.00 0.00 178.15 179.04 2kj9 h LYS 65 N -0.67 0.61 -1.01 2.37 3.64 0.41 -0.07 116.57 121.85 2kj9 h LYS 65 Ca -0.05 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.40 2kj9 h LYS 65 Cb 0.48 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.08 2kj9 h LYS 65 CO 0.09 0.41 0.64 -0.22 -2.27 0.00 0.00 179.45 178.09 2kj9 h LYS 66 N 0.63 1.00 0.20 1.90 3.64 -0.42 0.38 116.57 123.91 2kj9 h LYS 66 Ca 0.19 -0.06 -0.34 0.00 -1.27 0.00 0.00 60.65 59.18 2kj9 h LYS 66 Cb 0.01 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 31.62 2kj9 h LYS 66 CO -0.05 0.66 -1.60 0.82 -2.27 0.00 0.00 179.45 177.01 2kj9 h ILE 67 N 1.03 1.12 -0.78 2.00 2.04 -0.66 -2.43 117.51 119.82 2kj9 h ILE 67 Ca 0.49 -2.64 -0.03 0.00 1.00 0.00 0.00 64.86 63.68 2kj9 h ILE 67 Cb 0.44 2.88 -0.04 0.00 -0.74 0.00 0.00 36.82 39.37 2kj9 h ILE 67 CO -0.25 0.84 0.38 -0.33 0.00 0.00 0.00 178.15 178.78 2kj9 h GLU 68 N 0.12 1.12 0.00 2.37 5.08 -0.58 -0.95 114.58 121.73 2kj9 h GLU 68 Ca -0.29 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 2kj9 h GLU 68 Cb 2.12 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 2kj9 h GLU 68 CO 0.22 0.86 -0.34 -0.22 -1.00 0.00 0.00 179.01 178.52 2kj9 h LYS 69 N 1.11 0.00 0.00 2.33 3.64 -0.36 -3.11 116.57 120.19 2kj9 h LYS 69 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2kj9 h LYS 69 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2kj9 h LYS 69 CO -0.03 0.34 0.00 1.25 -2.27 0.00 0.00 179.45 178.74 2kj9 h LEU 70 N 0.00 0.00 0.00 5.20 5.85 -0.66 -3.46 115.31 122.24 2kj9 h LEU 70 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kj9 h LEU 70 Cb 1.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2kj9 h LEU 70 CO 0.04 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 2kj9 n GLY 71 N -0.09 0.43 3.41 3.75 0.00 -1.01 -5.02 105.19 106.65 2kj9 n GLY 71 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 2kj9 n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kj9 s TYR 72 N -2.00 3.57 0.11 1.61 2.02 -1.14 -4.86 117.35 116.66 2kj9 s TYR 72 Ca 0.00 -1.98 -0.17 0.00 -0.37 0.00 0.00 57.07 54.56 2kj9 s TYR 72 Cb 0.00 -4.12 -0.05 0.00 -0.40 0.00 0.00 41.96 37.39 2kj9 s TYR 72 CO 0.00 -1.27 1.57 -0.07 -1.57 0.00 0.00 175.55 174.21 2kj9 h LEU 73 N 9.00 0.53 -0.44 -1.29 3.38 -1.87 0.73 115.31 125.35 2kj9 h LEU 73 Ca 0.20 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2kj9 h LEU 73 Cb 0.95 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2kj9 h LEU 73 CO 1.06 0.67 0.10 -0.33 0.09 0.00 0.00 178.44 180.03 2kj9 h GLU 74 N 0.36 0.71 -0.54 1.13 5.08 -1.97 -0.72 114.58 118.64 2kj9 h GLU 74 Ca 0.10 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 2kj9 h GLU 74 Cb 0.38 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2kj9 h GLU 74 CO 0.01 0.72 -0.06 0.82 -1.00 0.00 0.00 179.01 179.51 2kj9 h ILE 75 N 0.58 1.26 -0.09 3.13 2.04 -1.94 0.17 117.51 122.67 2kj9 h ILE 75 Ca 0.14 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 2kj9 h ILE 75 Cb 0.34 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2kj9 h ILE 75 CO 0.00 0.42 0.05 0.00 0.00 0.00 0.00 178.15 178.62 2kj9 h ALA 76 N 1.05 0.11 -0.93 1.87 0.00 -0.63 0.51 119.26 121.25 2kj9 h ALA 76 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kj9 h ALA 76 Cb 0.59 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2kj9 h ALA 76 CO 0.04 -0.38 0.59 0.52 0.00 0.00 0.00 179.25 180.01 2kj9 h MET 77 N 0.09 1.24 0.55 0.00 2.86 -0.91 0.99 114.93 119.75 2kj9 h MET 77 Ca 0.03 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2kj9 h MET 77 Cb 0.02 -0.27 0.01 0.00 0.06 0.00 0.00 31.60 31.42 2kj9 h MET 77 CO -0.01 0.85 -0.26 0.00 1.06 0.00 0.00 176.91 178.55 2kj9 h ARG 78 N 1.27 -0.71 -0.23 1.72 3.08 -0.18 -1.70 114.38 117.63 2kj9 h ARG 78 Ca 0.34 0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 2kj9 h ARG 78 Cb -0.10 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2kj9 h ARG 78 CO -0.07 -0.41 -0.01 0.28 -1.07 0.00 0.00 179.97 178.69 2kj9 h VAL 79 N -0.90 1.15 -0.67 2.04 2.07 0.13 0.40 116.25 120.46 2kj9 h VAL 79 Ca -0.08 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2kj9 h VAL 79 Cb 0.62 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2kj9 h VAL 79 CO 0.12 0.19 0.29 0.50 0.02 0.00 0.00 177.57 178.70 2kj9 h LYS 80 N 0.33 0.99 -0.26 1.57 3.64 -0.75 0.47 116.57 122.54 2kj9 h LYS 80 Ca 0.07 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 2kj9 h LYS 80 Cb 0.24 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2kj9 h LYS 80 CO 0.01 0.81 -0.15 0.37 -2.27 0.00 0.00 179.45 178.22 2kj9 h GLN 81 N 0.94 0.56 -0.40 1.90 5.75 -0.17 -0.09 115.11 123.61 2kj9 h GLN 81 Ca 0.23 -0.25 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2kj9 h GLN 81 Cb 0.17 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 2kj9 h GLN 81 CO -0.02 0.82 0.21 1.88 -2.65 0.00 0.00 178.83 179.07 2kj9 h TYR 82 N 0.29 0.39 -0.71 3.99 0.05 -0.06 -0.00 116.97 120.93 2kj9 h TYR 82 Ca 0.06 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.86 2kj9 h TYR 82 Cb 0.66 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 2kj9 h TYR 82 CO 0.06 0.21 0.46 0.00 -1.05 0.00 0.00 178.16 177.84 2kj9 h ALA 83 N 1.20 0.90 -0.50 3.88 0.00 0.03 0.83 119.26 125.59 2kj9 h ALA 83 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2kj9 h ALA 83 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2kj9 h ALA 83 CO -0.11 0.33 0.20 1.15 0.00 0.00 0.00 179.25 180.83 2kj9 h THR 84 N 0.96 1.19 -0.17 0.00 2.02 -0.51 0.64 112.91 117.03 2kj9 h THR 84 Ca 0.26 -0.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 2kj9 h THR 84 Cb -0.09 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2kj9 h THR 84 CO -0.05 0.23 -0.13 0.00 0.37 0.00 0.00 175.52 175.93 2kj9 h ALA 85 N 1.51 0.24 -0.36 6.16 0.00 -0.15 -0.90 119.26 125.76 2kj9 h ALA 85 Ca 0.17 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2kj9 h ALA 85 Cb 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kj9 h ALA 85 CO -0.02 0.11 -0.12 0.82 0.00 0.00 0.00 179.25 180.04 2kj9 h ILE 86 N 0.04 1.24 -0.69 0.00 2.04 -0.53 -1.45 117.51 118.16 2kj9 h ILE 86 Ca 0.03 -1.09 -0.07 0.00 1.00 0.00 0.00 64.86 64.72 2kj9 h ILE 86 Cb 0.64 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2kj9 h ILE 86 CO 0.03 0.37 0.15 -0.03 0.00 0.00 0.00 178.15 178.67 2kj9 h MET 87 N 0.57 1.12 -0.31 2.37 4.05 0.39 0.29 114.93 123.41 2kj9 h MET 87 Ca 0.10 -0.28 -0.09 0.00 -0.28 0.00 0.00 59.70 59.15 2kj9 h MET 87 Cb 0.54 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 2kj9 h MET 87 CO 0.03 1.00 -0.19 -0.09 0.23 0.00 0.00 176.91 177.90 2kj9 h ARG 88 N 1.05 0.57 -0.31 0.39 2.43 -0.87 -1.91 114.38 115.74 2kj9 h ARG 88 Ca 0.21 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2kj9 h ARG 88 Cb 0.40 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2kj9 h ARG 88 CO 0.01 0.73 -0.16 -0.92 -1.51 0.00 0.00 179.97 178.12 2kj9 h TYR 89 N 0.52 0.59 -0.61 2.20 3.20 -0.47 -2.20 116.97 120.20 2kj9 h TYR 89 Ca 0.08 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 2kj9 h TYR 89 Cb 0.61 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 2kj9 h TYR 89 CO 0.02 0.67 0.22 0.00 -1.64 0.00 0.00 178.16 177.44 2kj9 h ALA 90 N 1.34 1.25 -0.08 1.82 0.00 0.30 -1.25 119.26 122.65 2kj9 h ALA 90 Ca 0.09 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2kj9 h ALA 90 Cb 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kj9 h ALA 90 CO 0.04 0.54 -0.52 0.28 0.00 0.00 0.00 179.25 179.59 2kj9 h VAL 91 N 0.88 1.36 0.00 0.00 2.07 -1.02 0.15 116.25 119.69 2kj9 h VAL 91 Ca 0.20 -1.79 -0.05 0.00 0.82 0.00 0.00 66.70 65.89 2kj9 h VAL 91 Cb 0.20 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2kj9 h VAL 91 CO -0.02 0.53 -0.23 1.56 0.02 0.00 0.00 177.57 179.44 2kj9 h GLN 92 N 0.17 0.00 -0.51 1.57 4.20 -0.75 -1.00 115.11 118.80 2kj9 h GLN 92 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kj9 h GLN 92 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2kj9 h GLN 92 CO 0.08 0.23 0.00 1.04 -0.67 0.00 0.00 178.83 179.50 2kj9 n GLN 93 N -3.37 2.57 -3.75 1.46 6.02 -0.55 -4.98 117.38 114.79 2kj9 n GLN 93 Ca 0.00 -2.39 -0.23 0.00 -0.01 0.00 0.00 57.00 54.37 2kj9 n GLN 93 Cb 0.44 -1.53 0.02 0.00 1.02 0.00 0.00 30.24 30.19 2kj9 n GLN 93 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2kj9 n LYS 94 N 1.53 -4.12 -0.04 -1.09 5.02 -0.26 -4.90 118.16 114.30 2kj9 n LYS 94 Ca 0.21 0.56 -0.21 0.00 -2.02 0.00 0.00 58.31 56.86 2kj9 n LYS 94 Cb 0.61 -4.95 -0.13 0.00 -0.02 0.00 0.00 35.03 30.54 2kj9 n LYS 94 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2kj9 n MET 95 N -4.26 0.72 -4.71 1.97 2.81 0.38 -5.00 117.12 109.02 2kj9 n MET 95 Ca -0.28 0.24 -0.32 0.00 -1.81 0.00 0.00 57.70 55.53 2kj9 n MET 95 Cb 0.67 -1.65 -0.08 0.00 -0.71 0.00 0.00 33.22 31.45 2kj9 n MET 95 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2kj9 s ILE 96 N -2.54 1.30 -0.26 2.02 -4.36 -1.24 -4.48 121.20 111.64 2kj9 s ILE 96 Ca -0.26 -1.98 -0.09 0.00 -0.26 0.00 0.00 60.65 58.06 2kj9 s ILE 96 Cb 0.07 -2.28 -0.15 0.00 1.25 0.00 0.00 42.46 41.35 2kj9 s ILE 96 CO 0.71 0.00 -0.26 0.54 0.24 0.00 0.00 174.94 176.17 2kj9 n ARG 97 N -1.24 0.61 -4.22 0.37 1.74 -1.26 -4.57 116.66 108.10 2kj9 n ARG 97 Ca -0.17 0.24 -0.17 0.00 -0.77 0.00 0.00 57.85 56.99 2kj9 n ARG 97 Cb 0.67 -1.52 -0.08 0.00 -1.02 0.00 0.00 32.46 30.51 2kj9 n ARG 97 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2kj9 s PHE 98 N -2.51 1.47 -0.53 -1.55 0.08 -1.26 -4.98 117.98 108.70 2kj9 s PHE 98 Ca -0.37 -1.51 -0.18 0.00 0.12 0.00 0.00 56.93 54.99 2kj9 s PHE 98 Cb 0.12 -0.54 0.08 0.00 -0.57 0.00 0.00 43.02 42.11 2kj9 s PHE 98 CO 0.54 -0.88 0.61 -0.80 -0.10 0.00 0.00 175.22 174.60 2kj9 s ASN 99 N -3.29 6.20 0.27 1.36 -0.87 -1.26 -4.94 114.94 112.40 2kj9 s ASN 99 Ca 0.38 -1.18 -0.03 0.00 -1.57 0.00 0.00 52.86 50.46 2kj9 s ASN 99 Cb 0.03 -2.27 0.38 0.00 -0.02 0.00 0.00 41.25 39.36 2kj9 s ASN 99 CO 0.23 -0.93 1.92 -0.65 -2.57 0.00 0.00 177.10 175.10 2kj9 h PRO 100 N 9.02 1.18 0.00 -0.60 0.11 -1.96 -0.23 132.00 139.52 2kj9 h PRO 100 Ca -0.28 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 2kj9 h PRO 100 Cb 1.09 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 2kj9 h PRO 100 CO 1.00 0.78 -0.37 0.00 -0.21 0.00 0.00 178.00 179.20 2kj9 h ALA 101 N 1.44 1.33 -0.00 -0.75 0.00 -1.92 -0.82 119.26 118.54 2kj9 h ALA 101 Ca 0.39 -0.34 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 2kj9 h ALA 101 Cb 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kj9 h ALA 101 CO -0.12 0.47 -0.97 -0.92 0.00 0.00 0.00 179.25 177.71 2kj9 h TYR 102 N 0.00 0.75 0.00 0.00 3.20 -1.50 -1.94 116.97 117.48 2kj9 h TYR 102 Ca -0.00 -0.41 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2kj9 h TYR 102 Cb 0.68 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2kj9 h TYR 102 CO 0.00 1.23 0.00 -0.44 -1.64 0.00 0.00 178.16 177.31 2kj9 h ASP 103 N 0.29 0.00 -0.10 -2.11 5.19 -1.03 0.35 116.42 119.01 2kj9 h ASP 103 Ca -0.09 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.22 2kj9 h ASP 103 Cb 1.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.12 2kj9 h ASP 103 CO 0.18 0.00 -0.30 0.25 -3.12 0.00 0.00 179.24 176.24 2kj9 h LEU 104 N 0.00 0.44 -1.04 1.55 7.12 -0.96 -1.78 115.31 120.63 2kj9 h LEU 104 Ca 0.00 -0.60 -0.10 0.00 0.13 0.00 0.00 57.88 57.31 2kj9 h LEU 104 Cb 0.84 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 2kj9 h LEU 104 CO 0.00 0.97 -0.47 -0.33 -0.13 0.00 0.00 178.44 178.48 2kj9 h GLU 105 N -0.07 0.03 0.00 1.25 4.39 -1.25 -2.79 114.58 116.14 2kj9 h GLU 105 Ca -0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2kj9 h GLU 105 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2kj9 h GLU 105 CO 0.06 0.49 0.00 0.41 -1.16 0.00 0.00 179.01 178.82 2kj9 n GLY 106 N -0.17 -0.99 0.22 -3.84 0.00 0.12 -2.34 105.19 98.19 2kj9 n GLY 106 Ca -0.02 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.95 2kj9 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kj9 h ALA 107 N 3.47 1.11 -3.03 4.61 0.00 -1.03 -3.40 119.26 121.00 2kj9 h ALA 107 Ca 0.00 -0.22 -0.66 0.00 0.00 0.00 0.00 54.91 54.04 2kj9 h ALA 107 Cb 0.12 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 17.60 2kj9 h ALA 107 CO 0.00 0.30 -0.71 0.08 0.00 0.00 0.00 179.25 178.92 2kj9 s VAL 108 N -3.84 3.50 0.27 0.00 1.01 -0.99 -5.00 120.40 115.35 2kj9 s VAL 108 Ca -0.01 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.57 2kj9 s VAL 108 Cb 0.12 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2kj9 s VAL 108 CO 0.64 0.42 1.64 1.56 0.00 0.00 0.00 175.10 179.36 2kj9 h GLN 109 N 7.96 0.26 0.00 2.72 4.20 -1.82 -3.48 115.11 124.94 2kj9 h GLN 109 Ca -0.40 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.17 2kj9 h GLN 109 Cb 1.17 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2kj9 h GLN 109 CO 0.60 0.69 0.00 1.63 -0.67 0.00 0.00 178.83 181.08 2kj9 n LYS 110 N -3.97 0.00 0.00 1.46 5.02 -1.26 -4.90 118.16 114.51 2kj9 n LYS 110 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2kj9 n LYS 110 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2kj9 n LYS 110 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2kj9 n LEU 111 N 0.00 0.00 -4.92 -0.35 7.94 -1.26 -5.14 117.00 113.28 2kj9 n LEU 111 Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 2kj9 n LEU 111 Cb 0.00 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.05 2kj9 n LEU 111 CO 0.00 0.00 0.76 -1.61 -1.11 0.00 0.00 177.39 175.43 2kj9 s GLU 112 N -1.00 1.74 0.34 1.96 2.02 -1.26 -5.11 118.70 117.39 2kj9 s GLU 112 Ca 0.00 -0.11 0.07 0.00 0.02 0.00 0.00 54.97 54.95 2kj9 s GLU 112 Cb 0.00 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.21 2kj9 s GLU 112 CO 0.00 -1.68 0.27 -1.01 0.02 0.00 0.00 175.26 172.86 2kj9 s HIS 113 N -3.56 1.78 0.15 1.61 3.76 -1.26 -5.09 115.29 112.69 2kj9 s HIS 113 Ca 0.64 -1.64 -0.11 0.00 -0.15 0.00 0.00 55.06 53.80 2kj9 s HIS 113 Cb -0.09 -0.77 -0.01 0.00 1.11 0.00 0.00 32.58 32.82 2kj9 s HIS 113 CO 0.49 -0.83 1.53 1.25 -0.85 0.00 0.00 174.74 176.33 2kj9 h HIS 114 N 2.08 1.10 -0.14 1.40 2.76 -2.07 -3.28 115.15 116.99 2kj9 h HIS 114 Ca -0.25 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 57.64 2kj9 h HIS 114 Cb 1.24 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.94 2kj9 h HIS 114 CO 1.75 1.08 0.00 -2.39 -1.30 0.00 0.00 177.93 177.08 2kj9 n HIS 115 N -4.15 0.51 -3.57 5.26 1.44 -1.26 -4.72 115.22 108.74 2kj9 n HIS 115 Ca -0.00 -0.92 -0.31 0.00 -2.01 0.00 0.00 57.72 54.47 2kj9 n HIS 115 Cb 0.45 -0.24 -0.08 0.00 0.12 0.00 0.00 29.99 30.25 2kj9 n HIS 115 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kj9 n HIS 116 N -0.91 3.56 0.00 -1.40 -0.00 -1.24 -4.55 115.22 110.68 2kj9 n HIS 116 Ca 0.19 -4.03 0.00 0.00 -0.00 0.00 0.00 57.72 53.87 2kj9 n HIS 116 Cb 0.77 -0.81 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 2kj9 n HIS 116 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kj9 n HIS 117 N 1.58 0.00 -1.32 1.57 -0.00 -1.26 -4.69 115.22 111.10 2kj9 n HIS 117 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 2kj9 n HIS 117 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 2kj9 n HIS 117 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92