#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 s SER 2 N 0.00 -0.05 -0.70 3.17 0.01 -1.26 -5.10 113.70 109.77 2kb3 s SER 2 Ca 0.00 -0.53 -0.24 0.00 1.31 0.00 0.00 55.95 56.49 2kb3 s SER 2 Cb 0.00 0.41 0.05 0.00 0.21 0.00 0.00 66.02 66.70 2kb3 s SER 2 CO 0.00 -0.81 1.10 -1.81 0.41 0.00 0.00 173.24 172.13 2kb3 s ASP 3 N -2.85 6.18 -0.94 2.44 1.11 -1.26 -4.95 116.67 116.40 2kb3 s ASP 3 Ca 0.05 -0.79 -0.22 0.00 0.18 0.00 0.00 52.55 51.77 2kb3 s ASP 3 Cb 0.03 -2.48 0.08 0.00 1.07 0.00 0.00 42.92 41.62 2kb3 s ASP 3 CO -0.10 -1.60 1.29 0.20 1.18 0.00 0.00 175.17 176.14 2kb3 s ASN 4 N 3.72 6.49 0.16 0.27 -0.87 -1.26 -4.96 114.94 118.49 2kb3 s ASN 4 Ca 0.28 -1.53 0.11 0.00 -1.57 0.00 0.00 52.86 50.15 2kb3 s ASN 4 Cb -0.13 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.56 2kb3 s ASN 4 CO 0.12 -1.38 -0.22 0.21 -2.57 0.00 0.00 177.10 173.25 2kb3 s ASN 5 N 4.33 3.57 -0.58 -1.22 2.47 -1.26 -5.05 114.94 117.20 2kb3 s ASN 5 Ca 0.39 -0.74 -0.26 0.00 0.42 0.00 0.00 52.86 52.67 2kb3 s ASN 5 Cb -0.04 -0.35 -0.05 0.00 -1.45 0.00 0.00 41.25 39.36 2kb3 s ASN 5 CO -0.06 0.15 2.17 -0.83 -3.72 0.00 0.00 177.10 174.80 2kb3 s GLY 6 N -2.40 -0.18 -0.05 1.21 0.00 -1.26 -4.95 107.32 99.69 2kb3 s GLY 6 Ca 0.19 -0.38 -0.27 0.00 0.00 0.00 0.00 44.72 44.25 2kb3 s GLY 6 CO 0.09 3.83 0.88 -1.59 0.00 0.00 0.00 173.10 176.31 2kb3 s THR 7 N 11.03 4.92 0.21 0.90 2.01 -1.26 -5.01 115.64 128.44 2kb3 s THR 7 Ca 0.84 1.83 -0.32 0.00 0.31 0.00 0.00 61.69 64.34 2kb3 s THR 7 Cb -0.14 -4.21 -0.13 0.00 0.01 0.00 0.00 72.50 68.02 2kb3 s THR 7 CO 0.21 0.16 1.55 -2.65 -0.69 0.00 0.00 174.62 173.20 2kb3 n PRO 8 N 4.13 2.30 -3.36 4.92 -0.02 -1.26 -4.98 135.00 136.72 2kb3 n PRO 8 Ca 0.04 0.82 -0.33 0.00 -2.02 0.00 0.00 63.50 62.01 2kb3 n PRO 8 Cb 0.51 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 2kb3 n PRO 8 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kb3 s GLU 9 N 0.31 3.88 0.75 -0.52 2.02 -1.26 -5.05 118.70 118.83 2kb3 s GLU 9 Ca 0.73 0.39 -0.15 0.00 0.02 0.00 0.00 54.97 55.96 2kb3 s GLU 9 Cb -0.61 -2.69 0.04 0.00 0.10 0.00 0.00 34.13 30.96 2kb3 s GLU 9 CO 0.42 0.34 1.16 -2.30 0.02 0.00 0.00 175.26 174.90 2kb3 n PRO 10 N 0.09 0.51 -2.69 0.39 -0.02 -1.26 -5.02 135.00 126.99 2kb3 n PRO 10 Ca -0.01 0.24 -0.23 0.00 -2.02 0.00 0.00 63.50 61.49 2kb3 n PRO 10 Cb 0.52 -2.40 0.03 0.00 -0.02 0.00 0.00 33.50 31.63 2kb3 n PRO 10 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2kb3 s GLN 11 N -3.71 2.73 -0.14 -0.52 -0.21 -1.26 -5.07 119.66 111.48 2kb3 s GLN 11 Ca 0.76 -0.55 -0.03 0.00 0.02 0.00 0.00 55.36 55.55 2kb3 s GLN 11 Cb -0.33 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.19 2kb3 s GLN 11 CO 0.48 -0.61 -0.02 0.08 -2.12 0.00 0.00 175.29 173.11 2kb3 s VAL 12 N -2.76 4.10 0.04 1.09 1.01 -1.26 -5.06 120.40 117.56 2kb3 s VAL 12 Ca 0.54 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 2kb3 s VAL 12 Cb -0.10 -2.78 0.06 0.00 0.00 0.00 0.00 36.38 33.56 2kb3 s VAL 12 CO 0.39 0.52 0.58 -0.70 0.00 0.00 0.00 175.10 175.90 2kb3 s GLU 13 N 0.01 1.09 0.00 2.72 2.56 -1.26 -5.10 118.70 118.72 2kb3 s GLU 13 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.97 54.85 2kb3 s GLU 13 Cb -0.13 0.50 0.00 0.00 2.00 0.00 0.00 34.13 36.50 2kb3 s GLU 13 CO 0.02 -0.40 0.00 2.41 -0.56 0.00 0.00 175.26 176.73 2kb3 n THR 14 N 0.40 0.00 -3.52 -1.70 -1.04 -1.26 -4.60 114.28 102.56 2kb3 n THR 14 Ca -0.18 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.67 2kb3 n THR 14 Cb 0.60 -1.07 -0.05 0.00 -1.82 0.00 0.00 70.33 67.99 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kb3 s SER 16 N -1.47 -0.59 -0.33 8.00 0.01 -1.23 -3.14 113.70 114.94 2kb3 s SER 16 Ca 0.00 0.48 -0.22 0.00 1.31 0.00 0.00 55.95 57.52 2kb3 s SER 16 Cb 0.00 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.76 2kb3 s SER 16 CO 0.00 -0.68 0.74 -0.69 0.41 0.00 0.00 173.24 173.02 2kb3 s VAL 17 N -1.81 4.81 -0.39 3.43 1.01 -1.26 -3.30 120.40 122.89 2kb3 s VAL 17 Ca -0.08 0.94 -0.28 0.00 0.00 0.00 0.00 61.98 62.56 2kb3 s VAL 17 Cb -0.01 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.26 2kb3 s VAL 17 CO 0.04 -0.30 1.04 0.12 0.00 0.00 0.00 175.10 176.00 2kb3 s PHE 18 N 2.91 3.02 -0.22 5.22 5.36 0.93 -4.97 117.98 130.23 2kb3 s PHE 18 Ca 0.30 0.88 -0.04 0.00 -0.96 0.00 0.00 56.93 57.11 2kb3 s PHE 18 Cb -0.14 -3.91 -0.01 0.00 -0.34 0.00 0.00 43.02 38.63 2kb3 s PHE 18 CO 0.14 -0.95 -0.05 1.03 -1.46 0.00 0.00 175.22 173.94 2kb3 s ARG 19 N 3.83 3.39 0.32 10.12 1.81 -1.26 -4.87 118.95 132.28 2kb3 s ARG 19 Ca 0.43 -0.62 -0.11 0.00 -1.72 0.00 0.00 55.73 53.71 2kb3 s ARG 19 Cb -0.11 -2.99 0.04 0.00 -0.45 0.00 0.00 34.95 31.44 2kb3 s ARG 19 CO 0.22 -0.17 0.62 0.00 -0.68 0.00 0.00 175.30 175.28 2kb3 n ALA 20 N 4.72 -1.30 1.44 2.13 0.00 -1.26 -5.01 120.51 121.23 2kb3 n ALA 20 Ca -0.18 -1.08 0.14 0.00 0.00 0.00 0.00 53.44 52.32 2kb3 n ALA 20 Cb 0.51 0.86 0.64 0.00 0.00 0.00 0.00 19.45 21.46 2kb3 n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kb3 n ASP 21 N -1.47 0.42 -0.09 0.00 5.75 -1.26 -3.23 116.55 116.67 2kb3 n ASP 21 Ca -0.06 -0.57 0.14 0.00 -0.01 0.00 0.00 54.79 54.29 2kb3 n ASP 21 Cb 0.49 -0.09 0.67 0.00 -1.03 0.00 0.00 41.12 41.15 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2kb3 n LEU 22 N -0.97 0.35 0.07 -2.12 4.77 -1.26 -3.49 117.00 114.35 2kb3 n LEU 22 Ca 0.15 0.06 -0.06 0.00 -0.03 0.00 0.00 56.01 56.13 2kb3 n LEU 22 Cb 0.27 -0.19 0.12 0.00 -2.33 0.00 0.00 43.42 41.28 2kb3 n LEU 22 CO 0.23 0.06 0.49 -0.07 -1.33 0.00 0.00 177.39 176.77 2kb3 h LEU 23 N 0.43 0.33 -1.13 2.23 3.38 -1.94 -0.36 115.31 118.25 2kb3 h LEU 23 Ca 0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2kb3 h LEU 23 Cb 0.32 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2kb3 h LEU 23 CO 0.00 0.84 -0.14 0.11 0.09 0.00 0.00 178.44 179.34 2kb3 h LYS 24 N 0.22 0.00 0.02 1.13 1.79 -1.83 -2.82 116.57 115.09 2kb3 h LYS 24 Ca -0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 2kb3 h LYS 24 Cb 1.08 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 2kb3 h LYS 24 CO 0.09 0.14 -1.03 1.49 -1.08 0.00 0.00 179.45 179.06 2kb3 h GLU 25 N 0.00 0.05 0.00 3.15 4.57 -1.39 -0.82 114.58 120.14 2kb3 h GLU 25 Ca -0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2kb3 h GLU 25 Cb 0.70 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2kb3 h GLU 25 CO 0.02 1.03 0.00 -0.12 -1.18 0.00 0.00 179.01 178.76 2kb3 n MET 26 N -3.39 0.08 -0.12 1.92 1.56 -0.25 -0.74 117.12 116.18 2kb3 n MET 26 Ca -0.01 0.40 -0.17 0.00 -0.27 0.00 0.00 57.70 57.65 2kb3 n MET 26 Cb 0.95 -1.68 -0.13 0.00 2.15 0.00 0.00 33.22 34.51 2kb3 n MET 26 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 2kb3 n GLU 27 N -1.83 0.66 -0.05 2.12 2.13 -1.01 -4.24 120.64 118.41 2kb3 n GLU 27 Ca 0.02 0.12 -0.21 0.00 0.66 0.00 0.00 57.16 57.75 2kb3 n GLU 27 Cb 0.14 -1.53 -0.13 0.00 0.27 0.00 0.00 31.44 30.20 2kb3 n GLU 27 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2kb3 h SER 28 N 0.00 0.17 0.97 4.31 0.02 -0.28 -3.39 113.55 115.36 2kb3 h SER 28 Ca -0.57 -0.70 -0.01 0.00 -0.84 0.00 0.00 61.79 59.67 2kb3 h SER 28 Cb 1.97 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 64.45 2kb3 h SER 28 CO -0.06 1.59 -1.03 -1.54 -1.14 0.00 0.00 176.83 174.64 2kb3 n SER 29 N -4.11 0.84 -3.55 3.07 3.41 0.08 -4.31 113.62 109.05 2kb3 n SER 29 Ca -0.30 0.33 -0.41 0.00 -0.26 0.00 0.00 58.87 58.23 2kb3 n SER 29 Cb 0.80 0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 65.19 2kb3 n SER 29 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2kb3 n THR 30 N -2.68 3.90 -1.10 6.66 -1.04 -1.22 -3.54 114.28 115.26 2kb3 n THR 30 Ca -0.00 -2.90 0.00 0.00 -2.04 0.00 0.00 64.05 59.11 2kb3 n THR 30 Cb 0.56 -2.59 0.00 0.00 -1.82 0.00 0.00 70.33 66.48 2kb3 n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 31 N 3.78 -0.95 3.36 3.41 0.00 -1.26 -4.80 105.19 108.73 2kb3 n GLY 31 Ca 0.63 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.30 2kb3 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 32 N 0.00 3.59 -0.16 2.61 2.01 -1.23 -5.08 115.64 117.38 2kb3 s THR 32 Ca 0.00 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 2kb3 s THR 32 Cb 0.00 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 2kb3 s THR 32 CO 0.00 0.42 1.21 0.00 -0.69 0.00 0.00 174.62 175.57 2kb3 s ALA 33 N 1.28 3.63 0.63 7.40 0.00 -1.26 -5.01 121.76 128.44 2kb3 s ALA 33 Ca 0.04 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 2kb3 s ALA 33 Cb -0.14 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 2kb3 s ALA 33 CO -0.01 -1.08 1.23 -2.14 0.00 0.00 0.00 175.76 173.77 2kb3 s PRO 34 N 3.21 2.70 -0.08 0.00 0.02 -1.26 -5.02 135.00 134.58 2kb3 s PRO 34 Ca 0.53 1.87 -0.07 0.00 0.02 0.00 0.00 61.00 63.36 2kb3 s PRO 34 Cb -0.21 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 2kb3 s PRO 34 CO 0.14 -1.43 0.18 0.00 -0.33 0.00 0.00 177.00 175.57 2kb3 s ALA 35 N -1.62 3.88 -0.29 -1.55 0.00 -1.26 -5.05 121.76 115.87 2kb3 s ALA 35 Ca 0.78 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 2kb3 s ALA 35 Cb -0.32 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 20.82 2kb3 s ALA 35 CO 0.37 0.64 1.06 -1.12 0.00 0.00 0.00 175.76 176.71 2kb3 s SER 36 N -1.28 6.98 -0.15 0.00 0.01 -1.26 -4.90 113.70 113.09 2kb3 s SER 36 Ca 0.19 1.15 -0.27 0.00 1.31 0.00 0.00 55.95 58.33 2kb3 s SER 36 Cb -0.13 -2.54 -0.25 0.00 0.21 0.00 0.00 66.02 63.32 2kb3 s SER 36 CO 0.09 -0.81 0.65 0.71 0.41 0.00 0.00 173.24 174.28 2kb3 h THR 37 N 5.64 1.59 0.00 1.44 1.35 -1.97 -3.50 112.91 117.46 2kb3 h THR 37 Ca -0.20 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.34 2kb3 h THR 37 Cb 1.06 3.13 0.00 0.00 -1.73 0.00 0.00 68.15 70.61 2kb3 h THR 37 CO 1.01 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 177.44 2kb3 n GLY 38 N 1.57 2.95 0.14 5.82 0.00 -1.26 -4.97 105.19 109.43 2kb3 n GLY 38 Ca -0.15 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.05 2kb3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 n ALA 39 N 0.00 3.60 0.67 4.61 0.00 -1.26 -4.54 120.51 123.58 2kb3 n ALA 39 Ca 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 53.44 53.07 2kb3 n ALA 39 Cb 0.00 -1.03 0.35 0.00 0.00 0.00 0.00 19.45 18.77 2kb3 n ALA 39 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kb3 n GLU 40 N -1.06 0.21 0.01 0.00 0.00 -1.26 -2.10 120.64 116.45 2kb3 n GLU 40 Ca 0.08 0.15 -0.12 0.00 0.00 0.00 0.00 57.16 57.27 2kb3 n GLU 40 Cb 0.35 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.16 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2kb3 h ASN 41 N 0.00 0.13 -6.21 -1.84 -0.26 -1.99 -3.49 115.58 101.91 2kb3 h ASN 41 Ca 0.00 -0.23 -0.31 0.00 -0.56 0.00 0.00 56.30 55.20 2kb3 h ASN 41 Cb 0.12 -0.04 0.01 0.00 -1.06 0.00 0.00 38.32 37.35 2kb3 h ASN 41 CO 0.00 1.20 -0.69 0.18 -1.06 0.00 0.00 177.43 177.06 2kb3 n LEU 42 N -3.21 -3.69 -0.36 1.61 7.99 -0.89 -4.87 117.00 113.58 2kb3 n LEU 42 Ca -0.17 -0.66 -0.07 0.00 -0.01 0.00 0.00 56.01 55.10 2kb3 n LEU 42 Cb 1.04 -2.30 -0.05 0.00 -0.11 0.00 0.00 43.42 42.00 2kb3 n LEU 42 CO 0.46 -0.13 0.45 -0.81 -1.51 0.00 0.00 177.39 175.84 2kb3 n PRO 43 N -2.52 -0.33 -0.25 3.23 -0.04 -1.26 -2.23 135.00 131.59 2kb3 n PRO 43 Ca -0.18 1.32 0.02 0.00 -0.04 0.00 0.00 63.50 64.63 2kb3 n PRO 43 Cb 0.61 -1.95 0.03 0.00 -0.04 0.00 0.00 33.50 32.15 2kb3 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 n ALA 44 N -3.40 1.87 0.00 0.55 0.00 -1.26 -4.92 120.51 113.34 2kb3 n ALA 44 Ca 0.04 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.18 2kb3 n ALA 44 Cb 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.38 2kb3 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb3 n GLY 45 N -0.39 2.97 3.57 0.00 0.00 -0.95 -4.93 105.19 105.45 2kb3 n GLY 45 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2kb3 n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kb3 s SER 46 N -3.26 3.84 0.07 1.61 1.04 -1.26 -4.90 113.70 110.84 2kb3 s SER 46 Ca 0.00 -1.14 -0.16 0.00 0.48 0.00 0.00 55.95 55.13 2kb3 s SER 46 Cb 0.00 -0.40 0.03 0.00 0.10 0.00 0.00 66.02 65.75 2kb3 s SER 46 CO 0.00 -0.21 0.37 0.00 0.98 0.00 0.00 173.24 174.38 2kb3 s ALA 47 N -2.58 -0.86 0.04 5.32 0.00 -1.22 -3.11 121.76 119.34 2kb3 s ALA 47 Ca 0.33 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.39 2kb3 s ALA 47 Cb 0.02 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 2kb3 s ALA 47 CO 0.17 -0.52 -0.12 -0.48 0.00 0.00 0.00 175.76 174.81 2kb3 s LEU 48 N -2.36 2.17 -0.04 0.00 -0.00 0.57 -0.12 118.68 118.90 2kb3 s LEU 48 Ca -0.02 -0.44 -0.01 0.00 -0.00 0.00 0.00 54.13 53.67 2kb3 s LEU 48 Cb 0.01 -0.51 -0.04 0.00 -0.00 0.00 0.00 46.19 45.65 2kb3 s LEU 48 CO -0.07 0.00 0.03 -1.48 -0.00 0.00 0.00 176.35 174.83 2kb3 s LEU 49 N -1.10 3.67 -0.07 1.48 0.05 0.42 -0.24 118.68 122.89 2kb3 s LEU 49 Ca -0.00 0.11 0.04 0.00 0.05 0.00 0.00 54.13 54.33 2kb3 s LEU 49 Cb -0.08 -1.99 0.00 0.00 -2.05 0.00 0.00 46.19 42.07 2kb3 s LEU 49 CO 0.01 0.33 -0.18 0.54 -0.55 0.00 0.00 176.35 176.49 2kb3 s VAL 50 N -1.02 1.57 -0.23 1.48 0.11 0.45 -0.81 120.40 121.96 2kb3 s VAL 50 Ca 0.17 -0.76 -0.29 0.00 -2.93 0.00 0.00 61.98 58.18 2kb3 s VAL 50 Cb -0.12 -1.37 -0.00 0.00 -1.53 0.00 0.00 36.38 33.36 2kb3 s VAL 50 CO 0.07 0.45 1.22 -0.69 -3.33 0.00 0.00 175.10 172.83 2kb3 s VAL 51 N 0.29 4.32 -0.07 2.04 1.01 0.07 -0.22 120.40 127.85 2kb3 s VAL 51 Ca -0.11 1.57 0.03 0.00 0.00 0.00 0.00 61.98 63.46 2kb3 s VAL 51 Cb -0.15 -4.13 -0.25 0.00 0.00 0.00 0.00 36.38 31.86 2kb3 s VAL 51 CO 0.05 -0.27 0.55 0.50 0.00 0.00 0.00 175.10 175.93 2kb3 h LYS 52 N 8.38 0.14 -4.29 2.72 1.63 -1.17 0.19 116.57 124.16 2kb3 h LYS 52 Ca -0.25 -0.23 -0.22 0.00 -0.85 0.00 0.00 60.65 59.10 2kb3 h LYS 52 Cb 1.09 0.09 -0.21 0.00 -0.60 0.00 0.00 32.23 32.60 2kb3 h LYS 52 CO 0.99 0.86 -0.71 0.50 -3.45 0.00 0.00 179.45 177.64 2kb3 s ARG 53 N -2.58 0.45 0.00 1.90 3.52 -0.75 -4.72 118.95 116.77 2kb3 s ARG 53 Ca -0.13 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 2kb3 s ARG 53 Cb 0.07 -0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 2kb3 s ARG 53 CO 0.80 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 175.70 2kb3 n GLY 54 N 1.39 0.75 0.15 8.12 0.00 -1.26 -3.95 105.19 110.39 2kb3 n GLY 54 Ca -0.22 -2.33 0.00 0.00 0.00 0.00 0.00 46.02 43.47 2kb3 n GLY 54 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kb3 h PRO 55 N 8.98 0.00 -0.64 1.61 0.11 -2.00 -2.83 132.00 137.23 2kb3 h PRO 55 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kb3 h PRO 55 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kb3 h PRO 55 CO 0.00 0.57 0.00 0.27 -0.21 0.00 0.00 178.00 178.63 2kb3 n ASN 56 N -3.73 4.92 -4.77 -2.05 6.94 -1.26 -4.98 115.26 110.34 2kb3 n ASN 56 Ca -0.01 -2.72 -0.41 0.00 -0.02 0.00 0.00 54.58 51.42 2kb3 n ASN 56 Cb 0.60 -0.64 -0.01 0.00 -2.36 0.00 0.00 39.78 37.37 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb3 s ALA 57 N -2.38 3.55 0.00 -2.53 0.00 -1.07 -2.65 121.76 116.68 2kb3 s ALA 57 Ca 0.47 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2kb3 s ALA 57 Cb 0.34 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2kb3 s ALA 57 CO 0.15 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.52 2kb3 n GLY 58 N 0.90 2.74 3.76 0.00 0.00 0.66 -4.99 105.19 108.27 2kb3 n GLY 58 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2kb3 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 s ALA 59 N -2.70 3.40 0.06 4.61 0.00 -1.08 -4.84 121.76 121.21 2kb3 s ALA 59 Ca 0.00 0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.46 2kb3 s ALA 59 Cb 0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 2kb3 s ALA 59 CO 0.00 0.22 -0.23 -0.98 0.00 0.00 0.00 175.76 174.77 2kb3 s ARG 60 N -0.90 1.48 0.01 0.00 1.70 -1.26 -0.75 118.95 119.23 2kb3 s ARG 60 Ca 0.38 -1.06 0.03 0.00 -0.47 0.00 0.00 55.73 54.60 2kb3 s ARG 60 Cb -0.23 -1.68 -0.01 0.00 -0.57 0.00 0.00 34.95 32.46 2kb3 s ARG 60 CO 0.27 0.42 -0.08 -0.06 -1.08 0.00 0.00 175.30 174.77 2kb3 s PHE 61 N -0.87 0.71 0.11 5.89 0.40 0.01 -4.96 117.98 119.27 2kb3 s PHE 61 Ca 0.09 -0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.06 2kb3 s PHE 61 Cb -0.09 -0.45 -0.07 0.00 0.51 0.00 0.00 43.02 42.92 2kb3 s PHE 61 CO 0.03 -0.02 0.51 -0.48 0.70 0.00 0.00 175.22 175.95 2kb3 s LEU 62 N -0.56 4.38 -0.37 -0.37 0.05 -1.26 -0.44 118.68 120.11 2kb3 s LEU 62 Ca 0.00 1.03 -0.04 0.00 0.05 0.00 0.00 54.13 55.17 2kb3 s LEU 62 Cb -0.05 -3.09 0.08 0.00 -2.05 0.00 0.00 46.19 41.08 2kb3 s LEU 62 CO 0.00 0.16 0.14 -0.76 -0.55 0.00 0.00 176.35 175.34 2kb3 s LEU 63 N -1.75 4.73 -0.39 1.48 2.01 0.83 -4.85 118.68 120.73 2kb3 s LEU 63 Ca 0.34 -1.63 0.05 0.00 0.01 0.00 0.00 54.13 52.90 2kb3 s LEU 63 Cb -0.15 -1.82 0.32 0.00 0.01 0.00 0.00 46.19 44.54 2kb3 s LEU 63 CO 0.18 -0.43 1.24 -0.67 1.01 0.00 0.00 176.35 177.68 2kb3 n ASP 64 N 4.67 -1.81 -3.85 2.29 2.03 -1.26 -3.45 116.55 115.17 2kb3 n ASP 64 Ca -0.08 -2.74 -0.10 0.00 0.52 0.00 0.00 54.79 52.40 2kb3 n ASP 64 Cb 0.43 1.51 -0.08 0.00 -0.72 0.00 0.00 41.12 42.25 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb3 s GLN 65 N 0.18 0.76 0.37 -0.67 -2.07 -1.26 -5.05 119.66 111.93 2kb3 s GLN 65 Ca 0.22 -0.79 0.05 0.00 -1.82 0.00 0.00 55.36 53.02 2kb3 s GLN 65 Cb 0.29 0.31 0.75 0.00 -1.09 0.00 0.00 33.01 33.27 2kb3 s GLN 65 CO -0.13 -0.23 2.01 -1.00 -1.32 0.00 0.00 175.29 174.62 2kb3 h PRO 66 N 3.12 0.70 -2.37 9.60 0.13 -1.93 -3.27 132.00 137.98 2kb3 h PRO 66 Ca -0.33 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.71 2kb3 h PRO 66 Cb 1.19 -0.16 -0.25 0.00 0.13 0.00 0.00 31.00 31.92 2kb3 h PRO 66 CO 0.52 0.46 -0.27 0.99 -0.23 0.00 0.00 178.00 179.48 2kb3 s THR 67 N -5.63 -0.58 -0.27 1.56 2.01 -1.26 -2.27 115.64 109.20 2kb3 s THR 67 Ca -0.09 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 2kb3 s THR 67 Cb 0.18 -0.76 -0.00 0.00 0.01 0.00 0.00 72.50 71.93 2kb3 s THR 67 CO 0.76 0.04 0.06 -0.89 -0.69 0.00 0.00 174.62 173.90 2kb3 s THR 68 N 2.40 3.94 -0.06 -0.82 2.01 0.12 -4.96 115.64 118.27 2kb3 s THR 68 Ca -0.05 -0.54 -0.19 0.00 0.31 0.00 0.00 61.69 61.22 2kb3 s THR 68 Cb -0.11 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 2kb3 s THR 68 CO -0.15 0.20 0.53 0.42 -0.69 0.00 0.00 174.62 174.93 2kb3 s THR 69 N 1.52 5.05 -0.06 -0.82 -4.23 -1.26 -0.08 115.64 115.75 2kb3 s THR 69 Ca 0.04 1.09 0.06 0.00 -1.18 0.00 0.00 61.69 61.70 2kb3 s THR 69 Cb -0.16 -3.87 -0.01 0.00 1.34 0.00 0.00 72.50 69.80 2kb3 s THR 69 CO 0.02 0.38 -0.25 0.00 -0.54 0.00 0.00 174.62 174.23 2kb3 s ALA 70 N 0.14 2.18 0.00 3.99 0.00 0.05 -0.67 121.76 127.44 2kb3 s ALA 70 Ca 0.29 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2kb3 s ALA 70 Cb -0.17 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2kb3 s ALA 70 CO 0.14 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.71 2kb3 n GLY 71 N 3.01 -0.53 3.90 0.00 0.00 -1.23 -0.40 105.19 109.95 2kb3 n GLY 71 Ca -0.18 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 2kb3 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb3 s ARG 72 N -1.30 3.60 0.00 1.61 3.52 -0.69 -2.04 118.95 123.65 2kb3 s ARG 72 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 2kb3 s ARG 72 Cb 0.00 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 2kb3 s ARG 72 CO 0.00 0.47 0.00 0.72 -0.81 0.00 0.00 175.30 175.68 2kb3 n HIS 73 N 0.01 0.00 0.57 5.12 8.25 -1.25 -4.53 115.22 123.39 2kb3 n HIS 73 Ca -0.03 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.48 2kb3 n HIS 73 Cb 0.52 -0.32 0.27 0.00 1.12 0.00 0.00 29.99 31.58 2kb3 n HIS 73 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kb3 n PRO 74 N -0.67 0.28 0.00 -0.41 -0.02 -1.26 -1.58 135.00 131.34 2kb3 n PRO 74 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.61 2kb3 n PRO 74 Cb 0.00 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 32.43 2kb3 n PRO 74 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2kb3 n GLU 75 N -1.01 0.01 -3.33 -0.52 0.28 -1.26 -4.68 120.64 110.13 2kb3 n GLU 75 Ca 0.07 -0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.68 2kb3 n GLU 75 Cb 0.03 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.34 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kb3 s SER 76 N -2.99 6.90 0.25 -1.84 0.01 -0.61 -4.93 113.70 110.48 2kb3 s SER 76 Ca 0.13 1.07 -0.04 0.00 1.31 0.00 0.00 55.95 58.41 2kb3 s SER 76 Cb 0.18 -2.31 0.29 0.00 0.21 0.00 0.00 66.02 64.38 2kb3 s SER 76 CO 0.61 0.20 1.81 -0.78 0.41 0.00 0.00 173.24 175.49 2kb3 h ASP 77 N 5.25 0.95 -3.84 2.44 1.82 -1.17 -3.37 116.42 118.50 2kb3 h ASP 77 Ca -0.48 -0.15 -0.64 0.00 -0.39 0.00 0.00 57.03 55.38 2kb3 h ASP 77 Cb 1.21 -0.25 -0.17 0.00 0.68 0.00 0.00 39.33 40.80 2kb3 h ASP 77 CO 0.67 0.86 -0.44 -0.63 -1.61 0.00 0.00 179.24 178.09 2kb3 s ILE 78 N -5.43 5.27 -0.29 2.25 -1.09 0.16 -4.96 121.20 117.10 2kb3 s ILE 78 Ca -0.11 0.23 -0.20 0.00 -2.23 0.00 0.00 60.65 58.33 2kb3 s ILE 78 Cb 0.16 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.43 2kb3 s ILE 78 CO 0.82 0.20 0.63 0.12 -1.23 0.00 0.00 174.94 175.47 2kb3 s PHE 79 N 1.84 3.23 -0.05 3.97 5.36 -1.26 -3.48 117.98 127.59 2kb3 s PHE 79 Ca 0.09 0.64 0.04 0.00 -0.96 0.00 0.00 56.93 56.74 2kb3 s PHE 79 Cb -0.16 -2.95 -0.00 0.00 -0.34 0.00 0.00 43.02 39.56 2kb3 s PHE 79 CO 0.11 -0.44 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.73 2kb3 s LEU 80 N 2.58 1.93 -0.08 6.12 1.02 -0.87 -4.92 118.68 124.47 2kb3 s LEU 80 Ca 0.25 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.02 2kb3 s LEU 80 Cb -0.15 -1.04 0.02 0.00 0.02 0.00 0.00 46.19 45.04 2kb3 s LEU 80 CO 0.11 0.16 -0.06 -0.62 0.02 0.00 0.00 176.35 175.96 2kb3 s ASP 81 N 0.06 1.75 0.28 2.29 2.15 -1.26 -3.79 116.67 118.14 2kb3 s ASP 81 Ca -0.05 -0.22 -0.09 0.00 0.43 0.00 0.00 52.55 52.62 2kb3 s ASP 81 Cb -0.12 -0.67 -0.00 0.00 -0.30 0.00 0.00 42.92 41.82 2kb3 s ASP 81 CO 0.03 -0.10 0.45 -0.62 -0.17 0.00 0.00 175.17 174.76 2kb3 s ASP 82 N 1.45 0.23 0.38 -0.34 2.15 -1.26 -4.74 116.67 114.53 2kb3 s ASP 82 Ca -0.01 -1.15 0.11 0.00 0.43 0.00 0.00 52.55 51.93 2kb3 s ASP 82 Cb -0.13 0.60 0.74 0.00 -0.30 0.00 0.00 42.92 43.82 2kb3 s ASP 82 CO -0.04 -1.18 1.86 0.58 -0.17 0.00 0.00 175.17 176.23 2kb3 h VAL 83 N 2.24 1.22 -2.48 1.11 2.07 -2.06 -3.43 116.25 114.93 2kb3 h VAL 83 Ca -0.28 -1.03 -0.53 0.00 0.82 0.00 0.00 66.70 65.67 2kb3 h VAL 83 Cb 1.25 1.46 0.02 0.00 -1.52 0.00 0.00 31.29 32.49 2kb3 h VAL 83 CO 0.38 0.31 1.16 -0.89 0.02 0.00 0.00 177.57 178.55 2kb3 s THR 84 N -4.45 3.10 -0.12 2.57 2.01 -1.26 -4.95 115.64 112.53 2kb3 s THR 84 Ca -0.04 0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.92 2kb3 s THR 84 Cb 0.15 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 2kb3 s THR 84 CO 0.73 -0.02 0.91 -0.69 -0.69 0.00 0.00 174.62 174.86 2kb3 s VAL 85 N 3.98 4.85 -0.29 3.82 1.01 -1.26 -4.96 120.40 127.55 2kb3 s VAL 85 Ca 0.83 1.83 0.01 0.00 0.00 0.00 0.00 61.98 64.65 2kb3 s VAL 85 Cb -0.41 -4.22 0.19 0.00 0.00 0.00 0.00 36.38 31.94 2kb3 s VAL 85 CO 0.37 0.04 0.57 -0.44 0.00 0.00 0.00 175.10 175.65 2kb3 s SER 86 N 1.09 -1.29 0.10 3.32 0.01 -1.19 -3.57 113.70 112.18 2kb3 s SER 86 Ca 0.43 0.54 -0.18 0.00 1.31 0.00 0.00 55.95 58.06 2kb3 s SER 86 Cb -0.18 2.01 -0.05 0.00 0.21 0.00 0.00 66.02 68.01 2kb3 s SER 86 CO 0.16 -0.28 1.61 0.08 0.41 0.00 0.00 173.24 175.22 2kb3 h ARG 87 N 8.02 0.46 -3.44 12.44 0.11 -1.81 -1.82 114.38 128.33 2kb3 h ARG 87 Ca -0.14 -0.11 -0.27 0.00 0.10 0.00 0.00 59.98 59.56 2kb3 h ARG 87 Cb 1.17 -0.06 -0.33 0.00 1.11 0.00 0.00 29.97 31.86 2kb3 h ARG 87 CO 0.22 0.53 -0.68 1.03 0.10 0.00 0.00 179.97 181.18 2kb3 s ARG 88 N -5.33 0.01 -0.26 0.08 0.52 -1.26 -4.24 118.95 108.48 2kb3 s ARG 88 Ca -0.13 0.24 -0.15 0.00 -0.52 0.00 0.00 55.73 55.16 2kb3 s ARG 88 Cb 0.08 -0.20 -0.11 0.00 0.52 0.00 0.00 34.95 35.25 2kb3 s ARG 88 CO 0.74 -0.15 -0.35 1.58 0.02 0.00 0.00 175.30 177.14 2kb3 n HIS 89 N 4.08 0.02 -3.66 -0.53 -0.00 0.46 -4.88 115.22 110.71 2kb3 n HIS 89 Ca -0.26 0.01 -0.13 0.00 -0.00 0.00 0.00 57.72 57.34 2kb3 n HIS 89 Cb 0.52 -0.89 -0.06 0.00 -0.00 0.00 0.00 29.99 29.55 2kb3 n HIS 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb3 s ALA 90 N -2.59 -1.00 -0.05 1.57 0.00 -1.07 -2.66 121.76 115.95 2kb3 s ALA 90 Ca -0.37 0.27 0.05 0.00 0.00 0.00 0.00 51.96 51.92 2kb3 s ALA 90 Cb 0.12 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 2kb3 s ALA 90 CO 0.48 -0.48 -0.22 -1.83 0.00 0.00 0.00 175.76 173.71 2kb3 s GLU 91 N -2.62 2.21 -0.33 0.00 -1.05 0.51 -0.77 118.70 116.64 2kb3 s GLU 91 Ca -0.04 -0.78 -0.10 0.00 -0.15 0.00 0.00 54.97 53.90 2kb3 s GLU 91 Cb -0.01 -1.90 0.01 0.00 -0.44 0.00 0.00 34.13 31.79 2kb3 s GLU 91 CO -0.03 0.33 0.16 -0.06 0.95 0.00 0.00 175.26 176.61 2kb3 s PHE 92 N -0.10 3.20 -0.13 4.83 0.08 0.88 -0.24 117.98 126.50 2kb3 s PHE 92 Ca -0.03 -0.80 -0.02 0.00 0.12 0.00 0.00 56.93 56.19 2kb3 s PHE 92 Cb -0.13 -2.37 -0.03 0.00 -0.57 0.00 0.00 43.02 39.92 2kb3 s PHE 92 CO 0.03 -0.55 -0.04 1.03 -0.10 0.00 0.00 175.22 175.58 2kb3 s ARG 93 N 1.57 3.42 -0.36 0.44 0.52 0.96 0.11 118.95 125.61 2kb3 s ARG 93 Ca 0.03 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 54.61 2kb3 s ARG 93 Cb -0.18 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.48 2kb3 s ARG 93 CO 0.06 0.37 0.20 0.42 0.02 0.00 0.00 175.30 176.37 2kb3 s ILE 94 N 0.02 4.69 -0.16 1.52 1.09 -0.96 -0.65 121.20 126.75 2kb3 s ILE 94 Ca 0.00 -0.69 0.00 0.00 -1.10 0.00 0.00 60.65 58.87 2kb3 s ILE 94 Cb -0.13 -3.55 0.03 0.00 -1.06 0.00 0.00 42.46 37.75 2kb3 s ILE 94 CO 0.03 -0.15 -0.12 0.21 -0.10 0.00 0.00 174.94 174.80 2kb3 s ASN 95 N 1.59 2.84 -1.44 3.58 2.47 0.58 -4.56 114.94 120.00 2kb3 s ASN 95 Ca 0.03 -0.58 -0.09 0.00 0.42 0.00 0.00 52.86 52.64 2kb3 s ASN 95 Cb -0.18 -1.16 0.05 0.00 -1.45 0.00 0.00 41.25 38.51 2kb3 s ASN 95 CO 0.07 -0.09 0.70 -0.62 -3.72 0.00 0.00 177.10 173.44 2kb3 n GLU 96 N 4.76 -4.65 -0.86 0.43 1.02 -1.26 -0.48 120.64 119.60 2kb3 n GLU 96 Ca -0.16 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2kb3 n GLU 96 Cb 0.49 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kb3 n GLY 97 N -1.46 0.91 3.86 0.62 0.00 -1.26 -5.03 105.19 102.82 2kb3 n GLY 97 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2kb3 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb3 s GLU 98 N -0.14 3.19 -0.29 1.61 0.41 0.36 -5.07 118.70 118.77 2kb3 s GLU 98 Ca 0.00 -0.56 -0.09 0.00 -0.41 0.00 0.00 54.97 53.91 2kb3 s GLU 98 Cb 0.00 -2.89 -0.02 0.00 -1.78 0.00 0.00 34.13 29.44 2kb3 s GLU 98 CO 0.00 0.59 0.13 -0.06 -0.49 0.00 0.00 175.26 175.43 2kb3 s PHE 99 N -1.47 3.16 -0.05 1.61 0.40 -1.26 -0.31 117.98 120.06 2kb3 s PHE 99 Ca 0.32 -0.49 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 2kb3 s PHE 99 Cb -0.13 -2.33 -0.00 0.00 0.51 0.00 0.00 43.02 41.08 2kb3 s PHE 99 CO 0.25 -0.41 -0.19 -1.83 0.70 0.00 0.00 175.22 173.75 2kb3 s GLU 100 N 1.62 1.98 -0.23 0.44 -1.05 0.17 -0.41 118.70 121.23 2kb3 s GLU 100 Ca 0.05 -0.66 -0.09 0.00 -0.15 0.00 0.00 54.97 54.12 2kb3 s GLU 100 Cb -0.16 -1.69 -0.04 0.00 -0.44 0.00 0.00 34.13 31.80 2kb3 s GLU 100 CO 0.06 0.25 0.10 0.08 0.95 0.00 0.00 175.26 176.70 2kb3 s VAL 101 N 0.05 4.86 -0.17 1.83 1.01 0.12 -0.03 120.40 128.08 2kb3 s VAL 101 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2kb3 s VAL 101 Cb -0.12 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.02 2kb3 s VAL 101 CO 0.03 0.38 -0.18 -0.69 0.00 0.00 0.00 175.10 174.63 2kb3 s VAL 102 N 1.03 2.33 0.03 2.92 1.01 0.66 -0.36 120.40 128.02 2kb3 s VAL 102 Ca 0.05 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 2kb3 s VAL 102 Cb -0.14 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2kb3 s VAL 102 CO 0.04 0.53 0.30 -0.62 0.00 0.00 0.00 175.10 175.34 2kb3 s ASP 103 N 1.05 6.53 0.00 3.32 2.15 0.13 -0.36 116.67 129.48 2kb3 s ASP 103 Ca -0.01 0.62 0.22 0.00 0.43 0.00 0.00 52.55 53.80 2kb3 s ASP 103 Cb -0.14 -2.11 -0.13 0.00 -0.30 0.00 0.00 42.92 40.23 2kb3 s ASP 103 CO -0.06 0.23 0.97 1.33 -0.17 0.00 0.00 175.17 177.48 2kb3 n VAL 104 N 1.05 0.00 0.00 1.11 0.24 -1.09 -4.84 118.33 114.81 2kb3 n VAL 104 Ca -0.10 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2kb3 n VAL 104 Cb 0.53 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 2kb3 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb3 n GLY 105 N 1.49 -1.54 0.33 7.63 0.00 -1.26 -5.00 105.19 106.83 2kb3 n GLY 105 Ca 0.05 1.01 0.19 0.00 0.00 0.00 0.00 46.02 47.27 2kb3 n GLY 105 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kb3 h SER 106 N 0.00 0.00 0.20 1.61 0.02 -1.89 -0.26 113.55 113.22 2kb3 h SER 106 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kb3 h SER 106 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kb3 h SER 106 CO 0.00 0.00 0.00 0.17 -1.14 0.00 0.00 176.83 175.86 2kb3 h LEU 107 N 0.00 0.00 -0.53 5.07 -0.00 -1.92 -0.85 115.31 117.08 2kb3 h LEU 107 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2kb3 h LEU 107 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2kb3 h LEU 107 CO -0.00 0.00 -0.02 -3.20 -0.00 0.00 0.00 178.44 175.22 2kb3 n ASN 108 N -2.90 0.84 0.00 0.17 5.15 -0.11 -0.05 115.26 118.36 2kb3 n ASN 108 Ca -0.02 -1.22 0.00 0.00 -0.60 0.00 0.00 54.58 52.75 2kb3 n ASN 108 Cb 0.11 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kb3 n GLY 109 N 1.12 0.82 3.69 8.20 0.00 -0.37 -4.54 105.19 114.11 2kb3 n GLY 109 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2kb3 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 110 N -1.51 5.01 -0.03 2.61 2.01 -0.94 -1.29 115.64 121.50 2kb3 s THR 110 Ca 0.00 1.40 0.01 0.00 0.31 0.00 0.00 61.69 63.40 2kb3 s THR 110 Cb 0.00 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.51 2kb3 s THR 110 CO 0.00 0.17 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.78 2kb3 s TYR 111 N 1.37 0.35 -0.21 4.92 2.02 -0.54 -3.95 117.35 121.30 2kb3 s TYR 111 Ca 0.35 -0.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.03 2kb3 s TYR 111 Cb -0.17 -0.39 0.03 0.00 -0.40 0.00 0.00 41.96 41.03 2kb3 s TYR 111 CO 0.14 -0.11 -0.15 0.08 -1.57 0.00 0.00 175.55 173.94 2kb3 s VAL 112 N 0.81 2.23 -1.46 0.71 1.01 0.12 0.06 120.40 123.89 2kb3 s VAL 112 Ca -0.08 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 2kb3 s VAL 112 Cb -0.12 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.23 2kb3 s VAL 112 CO -0.01 0.32 1.06 0.59 0.00 0.00 0.00 175.10 177.05 2kb3 n ASN 113 N 4.57 -5.26 0.00 3.32 3.02 0.14 -0.77 115.26 120.27 2kb3 n ASN 113 Ca -0.18 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 2kb3 n ASN 113 Cb 0.47 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kb3 n ARG 114 N -4.79 -1.20 -3.94 3.52 3.00 -1.26 -4.84 116.66 107.14 2kb3 n ARG 114 Ca 0.01 0.30 -0.35 0.00 -0.01 0.00 0.00 57.85 57.80 2kb3 n ARG 114 Cb 0.55 -4.33 -0.10 0.00 0.00 0.00 0.00 32.46 28.58 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2kb3 s GLU 115 N -1.30 3.95 0.31 5.56 2.02 0.05 -4.62 118.70 124.66 2kb3 s GLU 115 Ca 0.00 -0.35 -0.30 0.00 0.02 0.00 0.00 54.97 54.34 2kb3 s GLU 115 Cb 0.00 -3.26 -0.11 0.00 0.10 0.00 0.00 34.13 30.86 2kb3 s GLU 115 CO 0.00 0.20 1.55 -1.25 0.02 0.00 0.00 175.26 175.77 2kb3 s PRO 116 N 0.59 4.14 -0.17 0.39 0.04 -1.26 0.15 135.00 138.89 2kb3 s PRO 116 Ca 0.04 2.54 -0.10 0.00 0.04 0.00 0.00 61.00 63.51 2kb3 s PRO 116 Cb -0.13 -3.02 0.06 0.00 0.04 0.00 0.00 34.50 31.44 2kb3 s PRO 116 CO 0.01 -0.58 0.41 0.50 0.04 0.00 0.00 177.00 177.39 2kb3 s ARG 117 N -0.86 0.41 -0.19 4.56 6.06 -1.25 -4.87 118.95 122.81 2kb3 s ARG 117 Ca 0.60 0.75 0.15 0.00 -2.50 0.00 0.00 55.73 54.73 2kb3 s ARG 117 Cb -0.47 0.02 -0.24 0.00 0.06 0.00 0.00 34.95 34.33 2kb3 s ARG 117 CO 0.51 -0.14 0.09 -1.71 -2.50 0.00 0.00 175.30 171.55 2kb3 n ASN 118 N 3.99 0.36 -3.82 -2.12 4.05 -1.26 -4.65 115.26 111.82 2kb3 n ASN 118 Ca -0.21 0.03 -0.13 0.00 0.45 0.00 0.00 54.58 54.71 2kb3 n ASN 118 Cb 0.56 0.69 -0.14 0.00 1.23 0.00 0.00 39.78 42.11 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kb3 s ALA 119 N -2.51 -0.07 -0.03 5.20 0.00 -1.26 0.19 121.76 123.28 2kb3 s ALA 119 Ca -0.13 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 2kb3 s ALA 119 Cb 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2kb3 s ALA 119 CO 0.80 -0.07 0.15 -1.14 0.00 0.00 0.00 175.76 175.51 2kb3 s GLN 120 N 0.49 0.33 -0.31 0.00 2.00 0.52 -4.96 119.66 117.73 2kb3 s GLN 120 Ca -0.04 -0.06 -0.17 0.00 -2.00 0.00 0.00 55.36 53.10 2kb3 s GLN 120 Cb -0.06 0.14 -0.02 0.00 0.80 0.00 0.00 33.01 33.88 2kb3 s GLN 120 CO -0.02 -0.07 0.45 0.08 -0.50 0.00 0.00 175.29 175.24 2kb3 s VAL 121 N -0.59 5.09 -0.11 1.34 1.01 -1.26 0.13 120.40 126.02 2kb3 s VAL 121 Ca -0.07 0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 2kb3 s VAL 121 Cb -0.04 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2kb3 s VAL 121 CO 0.01 -0.03 0.57 -0.32 0.00 0.00 0.00 175.10 175.33 2kb3 s MET 122 N 2.23 4.36 0.14 2.72 1.75 0.45 -4.96 119.30 126.00 2kb3 s MET 122 Ca 0.17 0.61 0.06 0.00 -1.25 0.00 0.00 55.69 55.28 2kb3 s MET 122 Cb -0.16 -3.46 -0.04 0.00 2.84 0.00 0.00 34.83 34.02 2kb3 s MET 122 CO 0.11 0.08 -0.13 1.14 -0.65 0.00 0.00 175.02 175.58 2kb3 s GLN 123 N 0.82 1.08 0.26 4.11 -2.07 -1.26 -4.56 119.66 118.04 2kb3 s GLN 123 Ca 0.30 -1.36 -0.30 0.00 -1.82 0.00 0.00 55.36 52.18 2kb3 s GLN 123 Cb -0.16 -0.85 -0.11 0.00 -1.09 0.00 0.00 33.01 30.80 2kb3 s GLN 123 CO 0.13 0.15 1.55 -0.08 -1.32 0.00 0.00 175.29 175.71 2kb3 s THR 124 N -2.62 2.32 0.00 3.63 -1.32 -1.26 -2.29 115.64 114.09 2kb3 s THR 124 Ca 0.13 0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.88 2kb3 s THR 124 Cb -0.02 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 67.80 2kb3 s THR 124 CO 0.03 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 2kb3 n GLY 125 N 2.47 0.19 3.77 6.08 0.00 0.52 -4.67 105.19 113.56 2kb3 n GLY 125 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2kb3 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb3 s ASP 126 N -2.22 7.42 -0.09 1.61 1.11 -0.97 -4.90 116.67 118.63 2kb3 s ASP 126 Ca 0.00 1.69 0.02 0.00 0.18 0.00 0.00 52.55 54.44 2kb3 s ASP 126 Cb 0.00 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 2kb3 s ASP 126 CO 0.00 0.20 -0.14 -1.83 1.18 0.00 0.00 175.17 174.58 2kb3 s GLU 127 N -1.18 2.96 -0.24 8.23 -1.05 -1.26 -1.45 118.70 124.71 2kb3 s GLU 127 Ca 0.37 -0.69 -0.04 0.00 -0.15 0.00 0.00 54.97 54.46 2kb3 s GLU 127 Cb -0.23 -2.51 0.00 0.00 -0.44 0.00 0.00 34.13 30.95 2kb3 s GLU 127 CO 0.27 0.41 -0.03 0.42 0.95 0.00 0.00 175.26 177.28 2kb3 s ILE 128 N -0.17 3.35 -0.29 1.83 1.01 0.86 0.25 121.20 128.04 2kb3 s ILE 128 Ca -0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 2kb3 s ILE 128 Cb -0.13 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2kb3 s ILE 128 CO 0.03 0.33 0.13 -1.58 0.00 0.00 0.00 174.94 173.85 2kb3 s GLN 129 N 1.45 3.45 -0.40 2.79 -0.44 0.11 -0.03 119.66 126.58 2kb3 s GLN 129 Ca 0.04 -0.64 -0.06 0.00 -2.50 0.00 0.00 55.36 52.20 2kb3 s GLN 129 Cb -0.15 -3.49 0.09 0.00 -1.64 0.00 0.00 33.01 27.81 2kb3 s GLN 129 CO -0.03 -0.34 0.21 0.42 0.50 0.00 0.00 175.29 176.05 2kb3 s ILE 130 N 1.61 3.77 0.00 -2.34 1.01 0.72 -1.46 121.20 124.51 2kb3 s ILE 130 Ca 0.05 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 59.08 2kb3 s ILE 130 Cb -0.16 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2kb3 s ILE 130 CO 0.06 -0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.08 2kb3 n GLY 131 N 4.78 1.46 0.00 6.18 0.00 -0.41 -2.20 105.19 114.99 2kb3 n GLY 131 Ca -0.08 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2kb3 n GLY 131 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kb3 n LYS 132 N 0.00 2.19 -4.37 1.61 2.85 -1.26 -5.01 118.16 114.16 2kb3 n LYS 132 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 2kb3 n LYS 132 Cb 0.00 -0.78 -0.13 0.00 -0.65 0.00 0.00 35.03 33.47 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2kb3 s PHE 133 N -1.34 2.19 -0.02 5.58 -0.12 -0.94 -4.96 117.98 118.37 2kb3 s PHE 133 Ca 0.00 -0.39 0.03 0.00 -0.05 0.00 0.00 56.93 56.53 2kb3 s PHE 133 Cb 0.00 -1.18 -0.03 0.00 -0.63 0.00 0.00 43.02 41.18 2kb3 s PHE 133 CO 0.00 0.32 -0.11 -0.98 -0.05 0.00 0.00 175.22 174.41 2kb3 s ARG 134 N -2.08 2.51 -0.02 1.99 1.70 -1.25 -0.20 118.95 121.60 2kb3 s ARG 134 Ca 0.13 -0.71 0.07 0.00 -0.47 0.00 0.00 55.73 54.74 2kb3 s ARG 134 Cb -0.10 -2.44 -0.02 0.00 -0.57 0.00 0.00 34.95 31.83 2kb3 s ARG 134 CO 0.06 0.61 -0.23 -0.51 -1.08 0.00 0.00 175.30 174.15 2kb3 s LEU 135 N -1.08 2.04 -0.10 -1.89 1.02 0.95 -0.57 118.68 119.05 2kb3 s LEU 135 Ca 0.14 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.87 2kb3 s LEU 135 Cb -0.11 -1.20 -0.02 0.00 0.02 0.00 0.00 46.19 44.88 2kb3 s LEU 135 CO 0.04 0.27 -0.10 -0.69 0.02 0.00 0.00 176.35 175.89 2kb3 s VAL 136 N -0.46 3.35 -0.28 -1.59 1.01 0.70 -0.10 120.40 123.03 2kb3 s VAL 136 Ca 0.07 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 2kb3 s VAL 136 Cb -0.10 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2kb3 s VAL 136 CO -0.00 0.55 0.30 0.12 0.00 0.00 0.00 175.10 176.08 2kb3 s PHE 137 N -0.21 3.23 -0.09 5.22 5.36 -0.53 -0.41 117.98 130.56 2kb3 s PHE 137 Ca 0.01 0.27 0.04 0.00 -0.96 0.00 0.00 56.93 56.29 2kb3 s PHE 137 Cb -0.13 -2.51 -0.00 0.00 -0.34 0.00 0.00 43.02 40.04 2kb3 s PHE 137 CO 0.03 -0.22 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.83 2kb3 s LEU 138 N 1.95 2.15 0.01 6.12 1.02 0.67 -0.36 118.68 130.24 2kb3 s LEU 138 Ca 0.12 -0.53 -0.21 0.00 0.02 0.00 0.00 54.13 53.53 2kb3 s LEU 138 Cb -0.16 -1.42 -0.06 0.00 0.02 0.00 0.00 46.19 44.57 2kb3 s LEU 138 CO 0.10 0.18 0.61 0.00 0.02 0.00 0.00 176.35 177.26 2kb3 s ALA 139 N 0.23 3.49 0.00 4.21 0.00 -1.26 -0.32 121.76 128.11 2kb3 s ALA 139 Ca -0.15 0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2kb3 s ALA 139 Cb -0.17 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2kb3 s ALA 139 CO 0.08 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.44 2kb3 n GLY 140 N 2.32 2.54 3.77 0.00 0.00 -1.18 -4.92 105.19 107.72 2kb3 n GLY 140 Ca -0.07 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 2kb3 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kb3 s PRO 141 N -2.00 4.04 -0.20 1.61 0.04 -1.26 -3.51 135.00 133.73 2kb3 s PRO 141 Ca 0.00 2.25 0.13 0.00 0.04 0.00 0.00 61.00 63.42 2kb3 s PRO 141 Cb 0.00 -2.84 0.40 0.00 0.04 0.00 0.00 34.50 32.10 2kb3 s PRO 141 CO 0.00 -0.46 1.24 0.00 0.04 0.00 0.00 177.00 177.82 2kb3 n ALA 142 N 0.28 3.30 1.15 8.56 0.00 -1.26 -4.96 120.51 127.58 2kb3 n ALA 142 Ca 0.03 -3.04 0.13 0.00 0.00 0.00 0.00 53.44 50.55 2kb3 n ALA 142 Cb 0.42 -0.43 0.23 0.00 0.00 0.00 0.00 19.45 19.68 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59