#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 0.00 -3.69 7.83 0.02 -2.10 -3.45 113.55 112.16 2kb4 h SER 2 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2kb4 h SER 2 Cb 0.00 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.29 2kb4 h SER 2 CO 0.00 0.82 -0.25 1.51 -1.14 0.00 0.00 176.83 177.77 2kb4 s ASP 3 N -6.49 -0.46 0.30 3.07 -4.77 -1.26 -5.18 116.67 101.89 2kb4 s ASP 3 Ca 0.01 0.85 0.06 0.00 -3.30 0.00 0.00 52.55 50.17 2kb4 s ASP 3 Cb 0.09 0.82 -0.02 0.00 -1.09 0.00 0.00 42.92 42.72 2kb4 s ASP 3 CO 0.80 -0.16 0.40 0.54 0.70 0.00 0.00 175.17 177.45 2kb4 s ASN 4 N 0.56 6.03 -0.35 2.11 4.22 -1.26 -4.78 114.94 121.46 2kb4 s ASN 4 Ca -0.03 -0.12 -0.13 0.00 -2.14 0.00 0.00 52.86 50.44 2kb4 s ASN 4 Cb -0.04 -1.45 0.02 0.00 1.28 0.00 0.00 41.25 41.06 2kb4 s ASN 4 CO -0.03 -0.28 0.37 -3.20 -2.04 0.00 0.00 177.10 171.92 2kb4 n ASN 5 N -1.51 -7.42 -4.90 3.54 5.15 -1.26 -5.04 115.26 103.82 2kb4 n ASN 5 Ca -0.04 0.68 -0.24 0.00 -0.60 0.00 0.00 54.58 54.38 2kb4 n ASN 5 Cb 0.58 -4.33 -0.01 0.00 -0.53 0.00 0.00 39.78 35.49 2kb4 n ASN 5 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2kb4 s GLY 6 N -1.95 2.25 0.13 8.20 0.00 -1.26 -5.07 107.32 109.62 2kb4 s GLY 6 Ca 0.17 -1.57 -0.31 0.00 0.00 0.00 0.00 44.72 43.01 2kb4 s GLY 6 CO 0.71 -1.85 1.38 -1.59 0.00 0.00 0.00 173.10 171.74 2kb4 s THR 7 N -2.67 3.25 0.60 0.90 2.01 -1.26 -4.96 115.64 113.51 2kb4 s THR 7 Ca 0.41 0.93 -0.18 0.00 0.31 0.00 0.00 61.69 63.15 2kb4 s THR 7 Cb -0.02 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 2kb4 s THR 7 CO 0.25 0.09 0.84 -0.81 -0.69 0.00 0.00 174.62 174.29 2kb4 n PRO 8 N 3.67 0.77 -2.81 4.92 -0.04 -1.26 -4.93 135.00 135.33 2kb4 n PRO 8 Ca 0.10 0.30 -0.43 0.00 -0.04 0.00 0.00 63.50 63.44 2kb4 n PRO 8 Cb 0.42 -2.04 -0.04 0.00 -0.04 0.00 0.00 33.50 31.80 2kb4 n PRO 8 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2kb4 s GLU 9 N -2.59 3.32 0.16 0.54 2.56 -1.26 -5.03 118.70 116.40 2kb4 s GLU 9 Ca 0.74 -0.27 0.04 0.00 0.00 0.00 0.00 54.97 55.48 2kb4 s GLU 9 Cb -0.42 -4.07 -0.04 0.00 2.00 0.00 0.00 34.13 31.60 2kb4 s GLU 9 CO 0.49 -1.55 0.20 -1.25 -0.56 0.00 0.00 175.26 172.58 2kb4 s PRO 10 N 4.10 3.13 -1.41 4.30 0.04 -1.26 -5.01 135.00 138.89 2kb4 s PRO 10 Ca 0.31 -0.76 -0.15 0.00 0.04 0.00 0.00 61.00 60.45 2kb4 s PRO 10 Cb -0.12 -2.78 0.06 0.00 0.04 0.00 0.00 34.50 31.69 2kb4 s PRO 10 CO 0.19 0.50 2.08 0.00 0.04 0.00 0.00 177.00 179.81 2kb4 n GLN 11 N -0.44 2.99 -1.87 4.56 10.64 -1.26 -4.94 117.38 127.05 2kb4 n GLN 11 Ca -0.08 -2.83 -0.40 0.00 -1.83 0.00 0.00 57.00 51.86 2kb4 n GLN 11 Cb 0.54 -3.31 0.01 0.00 -0.86 0.00 0.00 30.24 26.62 2kb4 n GLN 11 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2kb4 s VAL 12 N 3.24 2.22 0.26 -0.39 0.11 -1.26 -4.95 120.40 119.63 2kb4 s VAL 12 Ca 0.48 0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 59.43 2kb4 s VAL 12 Cb 0.11 -3.12 -0.09 0.00 -1.53 0.00 0.00 36.38 31.75 2kb4 s VAL 12 CO -0.04 0.03 1.25 -1.83 -3.33 0.00 0.00 175.10 171.18 2kb4 s GLU 13 N -2.36 4.44 -0.43 1.54 4.04 -1.26 -4.97 118.70 119.71 2kb4 s GLU 13 Ca 0.59 2.04 0.02 0.00 0.04 0.00 0.00 54.97 57.66 2kb4 s GLU 13 Cb -0.42 -3.16 0.13 0.00 0.02 0.00 0.00 34.13 30.70 2kb4 s GLU 13 CO 0.55 -0.11 0.22 0.99 -1.84 0.00 0.00 175.26 175.07 2kb4 s THR 14 N -0.61 1.39 -0.69 1.83 2.01 -1.26 -5.05 115.64 113.25 2kb4 s THR 14 Ca 0.51 -2.46 -0.26 0.00 0.31 0.00 0.00 61.69 59.79 2kb4 s THR 14 Cb -0.36 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2kb4 s THR 14 CO 0.44 -0.87 1.91 -0.89 -0.69 0.00 0.00 174.62 174.52 2kb4 s THR 15 N 0.47 3.36 -0.15 -0.82 2.01 -1.26 -4.87 115.64 114.37 2kb4 s THR 15 Ca 0.17 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.16 2kb4 s THR 15 Cb -0.24 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.41 2kb4 s THR 15 CO -0.02 -0.87 0.04 -0.55 -0.69 0.00 0.00 174.62 172.53 2kb4 s SER 16 N 8.28 2.35 0.19 3.53 0.15 -1.26 -5.14 113.70 121.81 2kb4 s SER 16 Ca 0.69 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.83 2kb4 s SER 16 Cb -0.11 -0.44 0.03 0.00 -1.71 0.00 0.00 66.02 63.79 2kb4 s SER 16 CO 0.15 -0.29 0.23 1.33 1.20 0.00 0.00 173.24 175.86 2kb4 n VAL 17 N 5.15 0.00 -2.79 4.45 0.24 -1.26 -5.08 118.33 119.04 2kb4 n VAL 17 Ca -0.08 -0.68 -0.41 0.00 -2.04 0.00 0.00 64.34 61.14 2kb4 n VAL 17 Cb 0.48 -0.70 -0.05 0.00 -1.47 0.00 0.00 33.84 32.11 2kb4 n VAL 17 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 2kb4 s PHE 18 N -0.41 3.79 -0.64 6.34 -0.12 -1.26 -4.98 117.98 120.70 2kb4 s PHE 18 Ca 0.18 1.73 -0.27 0.00 -0.05 0.00 0.00 56.93 58.51 2kb4 s PHE 18 Cb -0.01 -3.00 0.02 0.00 -0.63 0.00 0.00 43.02 39.39 2kb4 s PHE 18 CO 0.11 0.22 1.41 1.03 -0.05 0.00 0.00 175.22 177.95 2kb4 s ARG 19 N -0.01 3.17 -0.97 1.99 0.52 -1.26 -4.93 118.95 117.46 2kb4 s ARG 19 Ca 0.45 0.19 -0.24 0.00 -0.52 0.00 0.00 55.73 55.62 2kb4 s ARG 19 Cb -0.23 -4.18 0.05 0.00 0.52 0.00 0.00 34.95 31.11 2kb4 s ARG 19 CO 0.28 -2.12 1.42 0.00 0.02 0.00 0.00 175.30 174.90 2kb4 s ALA 20 N 6.30 2.72 0.17 2.13 0.00 -1.26 -4.79 121.76 127.03 2kb4 s ALA 20 Ca 0.47 -2.10 -0.05 0.00 0.00 0.00 0.00 51.96 50.28 2kb4 s ALA 20 Cb -0.10 -4.48 0.06 0.00 0.00 0.00 0.00 23.12 18.60 2kb4 s ALA 20 CO 0.20 -3.56 1.47 0.22 0.00 0.00 0.00 175.76 174.10 2kb4 h ASP 21 N 9.84 0.68 -3.30 0.00 3.58 -2.05 -3.50 116.42 121.67 2kb4 h ASP 21 Ca 0.11 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2kb4 h ASP 21 Cb 1.02 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2kb4 h ASP 21 CO 1.40 1.11 -0.17 -0.11 -2.88 0.00 0.00 179.24 178.59 2kb4 n LEU 22 N -3.95 -2.73 -4.70 2.28 0.00 -1.26 -4.93 117.00 101.71 2kb4 n LEU 22 Ca -0.04 0.58 -0.42 0.00 0.00 0.00 0.00 56.01 56.13 2kb4 n LEU 22 Cb 0.63 -1.30 -0.03 0.00 0.00 0.00 0.00 43.42 42.72 2kb4 n LEU 22 CO 0.48 -0.30 1.05 -0.76 0.00 0.00 0.00 177.39 177.86 2kb4 s LEU 23 N -0.15 4.34 1.08 -1.96 2.01 -1.26 -4.98 118.68 117.77 2kb4 s LEU 23 Ca 0.00 2.15 -0.12 0.00 0.01 0.00 0.00 54.13 56.17 2kb4 s LEU 23 Cb 0.00 -3.57 0.23 0.00 0.01 0.00 0.00 46.19 42.86 2kb4 s LEU 23 CO 0.00 -0.64 1.06 -0.54 1.01 0.00 0.00 176.35 177.24 2kb4 s LYS 24 N 1.70 -0.23 0.00 1.70 3.01 -1.26 -5.02 119.74 119.64 2kb4 s LYS 24 Ca 0.63 0.95 0.00 0.00 -1.01 0.00 0.00 55.97 56.54 2kb4 s LYS 24 Cb -0.33 -1.63 0.00 0.00 -1.01 0.00 0.00 37.83 34.87 2kb4 s LYS 24 CO 0.28 -3.29 0.00 0.39 0.51 0.00 0.00 175.35 173.24 2kb4 n GLU 25 N -4.63 -0.30 -2.73 1.68 -0.58 -1.26 -4.91 120.64 107.91 2kb4 n GLU 25 Ca 0.05 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.37 2kb4 n GLU 25 Cb 0.54 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.38 2kb4 n GLU 25 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2kb4 s MET 26 N -2.28 3.23 0.82 3.49 -1.94 -1.26 -5.01 119.30 116.35 2kb4 s MET 26 Ca 0.00 -0.41 -0.11 0.00 -1.71 0.00 0.00 55.69 53.46 2kb4 s MET 26 Cb 0.00 -4.15 0.09 0.00 2.01 0.00 0.00 34.83 32.77 2kb4 s MET 26 CO 0.00 -1.83 1.09 -1.21 -0.01 0.00 0.00 175.02 173.07 2kb4 s GLU 27 N 4.64 1.85 0.82 2.03 0.41 -1.26 -5.03 118.70 122.15 2kb4 s GLU 27 Ca 0.30 1.09 -0.12 0.00 -0.41 0.00 0.00 54.97 55.84 2kb4 s GLU 27 Cb -0.12 -1.86 0.10 0.00 -1.78 0.00 0.00 34.13 30.47 2kb4 s GLU 27 CO 0.15 -1.91 1.17 0.45 -0.49 0.00 0.00 175.26 174.64 2kb4 s SER 28 N -3.34 4.31 0.27 -0.19 0.15 -1.26 -5.08 113.70 108.55 2kb4 s SER 28 Ca 0.62 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.89 2kb4 s SER 28 Cb -0.18 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 2kb4 s SER 28 CO 0.57 -2.00 0.00 -1.20 1.20 0.00 0.00 173.24 171.80 2kb4 n SER 29 N -3.32 0.00 -4.69 5.45 7.64 -1.26 -4.98 113.62 112.45 2kb4 n SER 29 Ca 0.09 -0.51 -0.42 0.00 1.01 0.00 0.00 58.87 59.04 2kb4 n SER 29 Cb 0.61 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.78 2kb4 n SER 29 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kb4 s THR 30 N 0.44 2.73 0.00 0.44 2.01 -1.26 -4.96 115.64 115.04 2kb4 s THR 30 Ca 0.00 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2kb4 s THR 30 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2kb4 s THR 30 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2kb4 n GLY 31 N 4.11 1.93 3.88 4.40 0.00 -1.26 -4.98 105.19 113.26 2kb4 n GLY 31 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2kb4 n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb4 s THR 32 N 0.01 4.95 -0.39 2.61 -1.32 -1.26 -5.04 115.64 115.20 2kb4 s THR 32 Ca 0.00 0.42 -0.21 0.00 -1.21 0.00 0.00 61.69 60.69 2kb4 s THR 32 Cb 0.00 -3.63 0.01 0.00 -1.51 0.00 0.00 72.50 67.37 2kb4 s THR 32 CO 0.00 -0.10 0.67 0.00 -2.21 0.00 0.00 174.62 172.98 2kb4 s ALA 33 N -1.85 3.41 -0.05 11.08 0.00 -1.26 -5.02 121.76 128.07 2kb4 s ALA 33 Ca 0.47 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 2kb4 s ALA 33 Cb -0.11 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 2kb4 s ALA 33 CO 0.22 -1.52 1.78 -2.14 0.00 0.00 0.00 175.76 174.10 2kb4 s PRO 34 N 2.85 4.07 -0.10 0.00 0.02 -1.26 -4.93 135.00 135.63 2kb4 s PRO 34 Ca 0.25 2.26 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 2kb4 s PRO 34 Cb -0.14 -4.07 -0.03 0.00 0.02 0.00 0.00 34.50 30.28 2kb4 s PRO 34 CO 0.17 -1.00 1.25 0.00 -0.33 0.00 0.00 177.00 177.08 2kb4 s ALA 35 N 4.55 3.58 -0.65 -1.55 0.00 -1.26 -4.87 121.76 121.55 2kb4 s ALA 35 Ca 0.80 0.57 -0.21 0.00 0.00 0.00 0.00 51.96 53.11 2kb4 s ALA 35 Cb -0.35 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.28 2kb4 s ALA 35 CO 0.34 -0.97 0.88 0.45 0.00 0.00 0.00 175.76 176.45 2kb4 s SER 36 N 1.76 6.20 -0.15 0.00 0.15 -1.26 -4.23 113.70 116.16 2kb4 s SER 36 Ca 0.56 -1.20 0.12 0.00 0.70 0.00 0.00 55.95 56.12 2kb4 s SER 36 Cb -0.24 -2.37 0.60 0.00 -1.71 0.00 0.00 66.02 62.30 2kb4 s SER 36 CO 0.19 -1.31 1.44 0.35 1.20 0.00 0.00 173.24 175.11 2kb4 n THR 37 N 5.76 1.89 -0.05 6.45 -2.24 -1.26 -4.92 114.28 119.91 2kb4 n THR 37 Ca -0.05 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 2kb4 n THR 37 Cb 0.44 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2kb4 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kb4 n GLY 38 N 0.61 -0.06 0.23 3.38 0.00 -1.26 -4.81 105.19 103.28 2kb4 n GLY 38 Ca 0.21 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.53 2kb4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 h ALA 39 N 0.00 1.35 0.00 4.61 0.00 -1.91 -1.05 119.26 122.26 2kb4 h ALA 39 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kb4 h ALA 39 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kb4 h ALA 39 CO 0.00 0.28 -0.26 1.05 0.00 0.00 0.00 179.25 180.32 2kb4 h GLU 40 N 0.00 0.00 0.07 0.00 9.09 -1.93 -3.15 114.58 118.67 2kb4 h GLU 40 Ca -0.00 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.13 2kb4 h GLU 40 Cb 0.49 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.57 2kb4 h GLU 40 CO 0.03 0.00 -1.37 -0.97 0.05 0.00 0.00 179.01 176.75 2kb4 h ASN 41 N 0.00 0.24 -4.08 3.06 -1.24 -1.55 -3.46 115.58 108.56 2kb4 h ASN 41 Ca 0.00 -0.31 -0.53 0.00 0.71 0.00 0.00 56.30 56.17 2kb4 h ASN 41 Cb 0.84 -0.08 0.10 0.00 0.73 0.00 0.00 38.32 39.92 2kb4 h ASN 41 CO 0.00 1.25 0.49 -0.76 -1.29 0.00 0.00 177.43 177.12 2kb4 s LEU 42 N -6.81 3.74 0.81 0.34 1.43 -0.63 -4.98 118.68 112.57 2kb4 s LEU 42 Ca -0.05 2.40 -0.13 0.00 -1.03 0.00 0.00 54.13 55.32 2kb4 s LEU 42 Cb 0.08 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 41.87 2kb4 s LEU 42 CO 0.85 -1.46 1.18 -2.16 0.23 0.00 0.00 176.35 174.98 2kb4 s PRO 43 N -3.19 1.70 -0.65 1.29 0.04 -1.26 -4.91 135.00 128.02 2kb4 s PRO 43 Ca 0.74 1.65 -0.28 0.00 0.04 0.00 0.00 61.00 63.16 2kb4 s PRO 43 Cb -0.31 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2kb4 s PRO 43 CO 0.34 -2.15 1.31 0.00 0.04 0.00 0.00 177.00 176.55 2kb4 s ALA 44 N -2.30 2.81 -0.31 8.56 0.00 -1.26 -4.58 121.76 124.67 2kb4 s ALA 44 Ca 0.71 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.71 2kb4 s ALA 44 Cb -0.26 -4.16 0.27 0.00 0.00 0.00 0.00 23.12 18.96 2kb4 s ALA 44 CO 0.51 -3.06 1.23 0.41 0.00 0.00 0.00 175.76 174.85 2kb4 n GLY 45 N 5.28 0.75 3.95 0.00 0.00 -1.19 -1.15 105.19 112.84 2kb4 n GLY 45 Ca 0.07 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2kb4 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 s SER 46 N -0.79 5.39 0.36 1.61 0.01 -1.25 -4.86 113.70 114.17 2kb4 s SER 46 Ca 0.12 0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.68 2kb4 s SER 46 Cb 0.28 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 65.31 2kb4 s SER 46 CO -0.07 -1.09 0.44 0.00 0.41 0.00 0.00 173.24 172.93 2kb4 s ALA 47 N -2.81 4.20 0.07 1.44 0.00 -1.26 0.06 121.76 123.45 2kb4 s ALA 47 Ca 0.55 -1.60 0.03 0.00 0.00 0.00 0.00 51.96 50.94 2kb4 s ALA 47 Cb -0.10 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 2kb4 s ALA 47 CO 0.40 -0.10 -0.09 -0.48 0.00 0.00 0.00 175.76 175.49 2kb4 s LEU 48 N -4.17 2.33 -0.12 0.00 2.34 0.58 -0.52 118.68 119.13 2kb4 s LEU 48 Ca 0.47 -0.69 -0.02 0.00 0.06 0.00 0.00 54.13 53.95 2kb4 s LEU 48 Cb -0.08 -0.24 -0.03 0.00 -0.56 0.00 0.00 46.19 45.28 2kb4 s LEU 48 CO 0.30 -0.23 -0.04 -1.48 -1.06 0.00 0.00 176.35 173.84 2kb4 s LEU 49 N -2.01 3.26 -0.21 1.48 0.05 -0.62 -1.58 118.68 119.05 2kb4 s LEU 49 Ca -0.02 -0.06 -0.01 0.00 0.05 0.00 0.00 54.13 54.10 2kb4 s LEU 49 Cb -0.06 -1.75 0.02 0.00 -2.05 0.00 0.00 46.19 42.34 2kb4 s LEU 49 CO -0.00 0.26 -0.12 -0.69 -0.55 0.00 0.00 176.35 175.25 2kb4 s VAL 50 N -0.20 2.55 -0.28 1.48 1.01 0.27 -2.19 120.40 123.04 2kb4 s VAL 50 Ca 0.03 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 2kb4 s VAL 50 Cb -0.13 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2kb4 s VAL 50 CO 0.02 0.37 0.49 -0.69 0.00 0.00 0.00 175.10 175.30 2kb4 s VAL 51 N 1.32 5.07 0.03 2.92 1.01 -0.65 -0.30 120.40 129.81 2kb4 s VAL 51 Ca 0.03 0.72 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 2kb4 s VAL 51 Cb -0.15 -3.84 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 2kb4 s VAL 51 CO -0.08 0.03 1.13 0.11 0.00 0.00 0.00 175.10 176.30 2kb4 h LYS 52 N 8.14 0.54 -1.23 2.72 1.57 -1.56 -3.37 116.57 123.37 2kb4 h LYS 52 Ca -0.29 -0.59 0.27 0.00 -1.87 0.00 0.00 60.65 58.18 2kb4 h LYS 52 Cb 1.14 0.17 -0.21 0.00 0.08 0.00 0.00 32.23 33.40 2kb4 h LYS 52 CO 0.71 1.21 0.89 0.50 -0.57 0.00 0.00 179.45 182.20 2kb4 s ARG 53 N -3.24 0.16 0.00 3.15 3.52 -1.24 -5.01 118.95 116.29 2kb4 s ARG 53 Ca -0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 2kb4 s ARG 53 Cb 0.05 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2kb4 s ARG 53 CO 0.87 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.70 2kb4 n GLY 54 N 0.09 3.85 0.00 8.12 0.00 -1.26 -3.15 105.19 112.84 2kb4 n GLY 54 Ca 0.02 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kb4 n PRO 55 N -0.70 0.00 0.04 1.61 -0.04 -1.26 -2.11 135.00 132.53 2kb4 n PRO 55 Ca 0.00 0.22 -0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2kb4 n PRO 55 Cb 0.00 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 31.76 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2kb4 h ASN 56 N 0.00 -0.34 -0.33 3.54 -0.00 -1.86 -1.82 115.58 114.77 2kb4 h ASN 56 Ca 0.00 0.06 0.06 0.00 -0.00 0.00 0.00 56.30 56.42 2kb4 h ASN 56 Cb 0.31 0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.77 2kb4 h ASN 56 CO 0.00 -0.16 0.15 0.00 -0.00 0.00 0.00 177.43 177.42 2kb4 n ALA 57 N -2.42 -0.59 -2.70 1.57 0.00 -0.90 -3.93 120.51 111.55 2kb4 n ALA 57 Ca -0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.22 2kb4 n ALA 57 Cb 0.17 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.71 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N -0.15 0.01 0.39 0.00 0.00 -1.26 -4.14 105.19 100.04 2kb4 n GLY 58 Ca 0.01 0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N 0.06 -0.22 -2.93 4.61 0.00 -1.26 -5.00 120.51 115.77 2kb4 n ALA 59 Ca -0.04 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 2kb4 n ALA 59 Cb 0.74 0.09 -0.15 0.00 0.00 0.00 0.00 19.45 20.13 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -2.01 0.37 0.01 0.00 1.70 -1.26 -1.63 118.95 116.13 2kb4 s ARG 60 Ca 0.02 -0.13 -0.03 0.00 -0.47 0.00 0.00 55.73 55.12 2kb4 s ARG 60 Cb -0.00 -0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 33.98 2kb4 s ARG 60 CO 0.01 0.06 0.05 -0.59 -1.08 0.00 0.00 175.30 173.74 2kb4 s PHE 61 N 0.08 0.12 0.04 5.89 -0.12 -0.93 -4.98 117.98 118.08 2kb4 s PHE 61 Ca -0.00 -0.27 -0.26 0.00 -0.05 0.00 0.00 56.93 56.35 2kb4 s PHE 61 Cb -0.04 -0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.20 2kb4 s PHE 61 CO -0.00 -0.20 0.80 -1.17 -0.05 0.00 0.00 175.22 174.59 2kb4 s LEU 62 N -1.17 4.44 -0.39 -1.99 0.20 -1.26 -1.59 118.68 116.92 2kb4 s LEU 62 Ca -0.13 1.48 -0.23 0.00 0.69 0.00 0.00 54.13 55.94 2kb4 s LEU 62 Cb -0.08 -3.28 0.01 0.00 -0.43 0.00 0.00 46.19 42.42 2kb4 s LEU 62 CO 0.00 -0.02 0.79 -0.76 -0.29 0.00 0.00 176.35 176.08 2kb4 s LEU 63 N 0.07 4.15 -0.08 -0.68 1.02 0.32 -4.80 118.68 118.69 2kb4 s LEU 63 Ca 0.40 0.21 0.11 0.00 0.02 0.00 0.00 54.13 54.88 2kb4 s LEU 63 Cb -0.21 -3.02 0.17 0.00 0.02 0.00 0.00 46.19 43.16 2kb4 s LEU 63 CO 0.24 -0.80 1.06 -0.90 0.02 0.00 0.00 176.35 175.97 2kb4 n ASP 64 N 6.55 1.70 -4.41 2.29 5.75 -1.26 -4.37 116.55 122.80 2kb4 n ASP 64 Ca 0.03 -2.60 -0.29 0.00 -0.01 0.00 0.00 54.79 51.92 2kb4 n ASP 64 Cb 0.48 -0.30 -0.13 0.00 -1.03 0.00 0.00 41.12 40.15 2kb4 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kb4 s GLN 65 N -1.87 1.53 0.32 0.11 -2.07 -1.26 -4.69 119.66 111.74 2kb4 s GLN 65 Ca 0.19 -1.29 0.03 0.00 -1.82 0.00 0.00 55.36 52.47 2kb4 s GLN 65 Cb 0.17 -1.96 0.55 0.00 -1.09 0.00 0.00 33.01 30.68 2kb4 s GLN 65 CO 0.02 0.46 1.87 -1.00 -1.32 0.00 0.00 175.29 175.32 2kb4 h PRO 66 N 3.96 0.62 -3.59 9.60 0.13 -1.93 -3.42 132.00 137.37 2kb4 h PRO 66 Ca -0.50 -0.12 -0.39 0.00 -0.87 0.00 0.00 66.00 64.11 2kb4 h PRO 66 Cb 1.17 -0.09 -0.37 0.00 0.13 0.00 0.00 31.00 31.83 2kb4 h PRO 66 CO 0.41 0.60 -0.75 0.99 -0.23 0.00 0.00 178.00 179.02 2kb4 s THR 67 N -5.07 0.17 -0.32 1.56 2.01 -1.26 -0.96 115.64 111.77 2kb4 s THR 67 Ca -0.08 0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.98 2kb4 s THR 67 Cb 0.16 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 2kb4 s THR 67 CO 0.77 0.20 0.30 -0.89 -0.69 0.00 0.00 174.62 174.32 2kb4 s THR 68 N 1.73 5.22 -0.46 -0.82 2.01 0.29 -4.95 115.64 118.66 2kb4 s THR 68 Ca 0.00 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 2kb4 s THR 68 Cb -0.13 -3.72 0.10 0.00 0.01 0.00 0.00 72.50 68.76 2kb4 s THR 68 CO -0.03 0.03 0.34 0.42 -0.69 0.00 0.00 174.62 174.68 2kb4 s THR 69 N 1.91 4.50 -0.28 -0.82 -4.23 -1.26 -0.57 115.64 114.90 2kb4 s THR 69 Ca 0.10 -1.50 -0.08 0.00 -1.18 0.00 0.00 61.69 59.03 2kb4 s THR 69 Cb -0.17 -3.83 -0.02 0.00 1.34 0.00 0.00 72.50 69.83 2kb4 s THR 69 CO 0.11 -0.66 0.10 0.00 -0.54 0.00 0.00 174.62 173.63 2kb4 s ALA 70 N 1.46 3.19 0.00 3.99 0.00 -0.94 -0.18 121.76 129.26 2kb4 s ALA 70 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.74 2kb4 s ALA 70 Cb -0.25 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2kb4 s ALA 70 CO 0.02 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2kb4 n GLY 71 N 4.93 -0.82 0.96 0.00 0.00 -1.10 -2.03 105.19 107.14 2kb4 n GLY 71 Ca -0.15 -0.86 0.06 0.00 0.00 0.00 0.00 46.02 45.08 2kb4 n GLY 71 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kb4 n ARG 72 N 0.00 2.79 -2.31 1.61 1.85 -0.33 -4.08 116.66 116.18 2kb4 n ARG 72 Ca 0.00 -2.90 -0.28 0.00 -1.00 0.00 0.00 57.85 53.68 2kb4 n ARG 72 Cb 0.00 -1.86 0.03 0.00 -1.05 0.00 0.00 32.46 29.58 2kb4 n ARG 72 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2kb4 s HIS 73 N -2.90 3.34 0.30 2.89 -3.43 -1.10 -4.98 115.29 109.41 2kb4 s HIS 73 Ca 0.43 0.78 0.05 0.00 -0.80 0.00 0.00 55.06 55.52 2kb4 s HIS 73 Cb 0.35 -2.72 0.72 0.00 -1.43 0.00 0.00 32.58 29.50 2kb4 s HIS 73 CO 0.08 -0.79 1.77 -1.35 -2.00 0.00 0.00 174.74 172.45 2kb4 h PRO 74 N -0.20 0.70 -1.00 -0.38 0.11 -1.94 -2.08 132.00 127.20 2kb4 h PRO 74 Ca -0.45 -0.04 -0.45 0.00 0.11 0.00 0.00 66.00 65.17 2kb4 h PRO 74 Cb 1.24 -0.16 -0.27 0.00 0.11 0.00 0.00 31.00 31.93 2kb4 h PRO 74 CO 0.61 0.46 0.57 0.39 -0.21 0.00 0.00 178.00 179.83 2kb4 n GLU 75 N -4.80 2.08 -1.63 1.05 1.02 -1.26 -4.95 120.64 112.15 2kb4 n GLU 75 Ca 0.23 -2.58 -0.46 0.00 -0.02 0.00 0.00 57.16 54.33 2kb4 n GLU 75 Cb 0.57 -2.01 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2kb4 n SER 76 N -0.91 3.46 -0.00 1.62 3.41 -0.78 -4.67 113.62 115.75 2kb4 n SER 76 Ca 0.51 0.73 -0.13 0.00 -0.26 0.00 0.00 58.87 59.73 2kb4 n SER 76 Cb 1.49 -1.44 -0.09 0.00 -0.26 0.00 0.00 64.21 63.91 2kb4 n SER 76 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2kb4 h ASP 77 N 11.15 0.02 -3.89 4.04 5.19 -0.91 -3.44 116.42 128.58 2kb4 h ASP 77 Ca -0.45 -0.36 -0.37 0.00 -0.62 0.00 0.00 57.03 55.23 2kb4 h ASP 77 Cb 1.26 -0.01 -0.29 0.00 0.18 0.00 0.00 39.33 40.47 2kb4 h ASP 77 CO 0.96 0.38 -0.77 0.27 -3.12 0.00 0.00 179.24 176.96 2kb4 s ILE 78 N -4.76 0.58 -0.29 0.35 -4.36 -1.24 -5.08 121.20 106.40 2kb4 s ILE 78 Ca -0.15 -0.29 -0.09 0.00 -0.26 0.00 0.00 60.65 59.86 2kb4 s ILE 78 Cb 0.03 -0.51 -0.02 0.00 1.25 0.00 0.00 42.46 43.21 2kb4 s ILE 78 CO 0.68 0.18 0.14 0.72 0.24 0.00 0.00 174.94 176.89 2kb4 s PHE 79 N 0.01 3.16 -0.38 1.37 -0.71 -1.26 -2.72 117.98 117.45 2kb4 s PHE 79 Ca 0.00 -0.42 -0.29 0.00 -1.04 0.00 0.00 56.93 55.19 2kb4 s PHE 79 Cb -0.05 -2.33 0.01 0.00 -1.21 0.00 0.00 43.02 39.44 2kb4 s PHE 79 CO -0.00 -0.38 1.37 -0.48 -1.34 0.00 0.00 175.22 174.39 2kb4 s LEU 80 N 1.64 3.68 -1.32 -1.99 2.34 -1.25 -4.77 118.68 117.01 2kb4 s LEU 80 Ca 0.05 0.93 -0.13 0.00 0.06 0.00 0.00 54.13 55.05 2kb4 s LEU 80 Cb -0.16 -3.54 0.12 0.00 -0.56 0.00 0.00 46.19 42.05 2kb4 s LEU 80 CO 0.06 -1.32 1.86 -0.67 -1.06 0.00 0.00 176.35 175.22 2kb4 n ASP 81 N 8.42 4.78 -4.40 1.48 2.03 -0.68 -4.85 116.55 123.32 2kb4 n ASP 81 Ca 0.16 -2.98 -0.29 0.00 0.52 0.00 0.00 54.79 52.20 2kb4 n ASP 81 Cb 0.48 -1.59 -0.13 0.00 -0.72 0.00 0.00 41.12 39.16 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kb4 s ASP 82 N 2.38 3.36 0.51 1.67 2.15 -1.26 -4.68 116.67 120.80 2kb4 s ASP 82 Ca 0.44 -0.76 0.30 0.00 0.43 0.00 0.00 52.55 52.96 2kb4 s ASP 82 Cb 0.07 -0.24 1.03 0.00 -0.30 0.00 0.00 42.92 43.48 2kb4 s ASP 82 CO -0.01 0.17 1.86 1.62 -0.17 0.00 0.00 175.17 178.64 2kb4 h VAL 83 N 3.74 0.03 -0.24 1.11 3.04 -2.03 -3.19 116.25 118.70 2kb4 h VAL 83 Ca -0.50 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.49 2kb4 h VAL 83 Cb 1.18 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.14 2kb4 h VAL 83 CO 0.41 0.01 0.00 0.41 -1.01 0.00 0.00 177.57 177.39 2kb4 n THR 84 N -3.10 0.32 -2.86 3.17 -1.04 -1.26 -4.86 114.28 104.64 2kb4 n THR 84 Ca 0.02 -0.40 -0.40 0.00 -2.04 0.00 0.00 64.05 61.23 2kb4 n THR 84 Cb 0.38 0.31 -0.05 0.00 -1.82 0.00 0.00 70.33 69.15 2kb4 n THR 84 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2kb4 s VAL 85 N -1.68 4.43 0.00 12.58 1.01 -1.21 -4.20 120.40 131.33 2kb4 s VAL 85 Ca 0.29 1.87 0.00 0.00 0.00 0.00 0.00 61.98 64.14 2kb4 s VAL 85 Cb 0.15 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2kb4 s VAL 85 CO 0.22 0.42 0.00 -1.54 0.00 0.00 0.00 175.10 174.20 2kb4 n SER 86 N 2.20 0.00 0.06 3.32 3.41 -1.26 -5.03 113.62 116.32 2kb4 n SER 86 Ca -0.02 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2kb4 n SER 86 Cb 0.49 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2kb4 n SER 86 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2kb4 n ARG 87 N -2.00 0.00 -2.99 4.33 3.00 -1.26 -4.93 116.66 112.81 2kb4 n ARG 87 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 2kb4 n ARG 87 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.48 2kb4 n ARG 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2kb4 s ARG 88 N -1.30 2.85 0.00 -0.14 0.52 -1.26 -1.19 118.95 118.43 2kb4 s ARG 88 Ca 0.00 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 2kb4 s ARG 88 Cb 0.00 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.82 2kb4 s ARG 88 CO 0.00 -0.33 0.00 1.58 0.02 0.00 0.00 175.30 176.57 2kb4 n HIS 89 N -2.00 -1.33 -3.72 -0.53 -0.00 -1.18 -4.22 115.22 102.23 2kb4 n HIS 89 Ca 0.05 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.94 2kb4 n HIS 89 Cb 0.59 0.46 -0.16 0.00 -0.12 0.00 0.00 29.99 30.77 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb4 s ALA 90 N -1.43 1.27 -0.16 1.57 0.00 -0.86 0.56 121.76 122.70 2kb4 s ALA 90 Ca 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 51.96 50.65 2kb4 s ALA 90 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 2kb4 s ALA 90 CO 0.00 -1.47 0.06 -1.21 0.00 0.00 0.00 175.76 173.14 2kb4 s GLU 91 N 1.74 3.78 -0.39 0.00 8.01 -0.81 -2.23 118.70 128.82 2kb4 s GLU 91 Ca 0.05 -0.34 -0.16 0.00 0.01 0.00 0.00 54.97 54.53 2kb4 s GLU 91 Cb -0.17 -3.14 0.01 0.00 -4.31 0.00 0.00 34.13 26.51 2kb4 s GLU 91 CO -0.19 0.38 0.40 -0.06 0.01 0.00 0.00 175.26 175.79 2kb4 s PHE 92 N 0.06 3.19 -0.23 1.61 0.40 0.27 -1.91 117.98 121.37 2kb4 s PHE 92 Ca 0.05 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 2kb4 s PHE 92 Cb -0.12 -2.78 0.03 0.00 0.51 0.00 0.00 43.02 40.66 2kb4 s PHE 92 CO 0.01 -0.58 -0.12 1.03 0.70 0.00 0.00 175.22 176.25 2kb4 s ARG 93 N 2.06 2.71 0.00 0.44 0.52 -0.34 -0.55 118.95 123.79 2kb4 s ARG 93 Ca 0.11 -1.04 0.06 0.00 -0.52 0.00 0.00 55.73 54.35 2kb4 s ARG 93 Cb -0.17 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 2kb4 s ARG 93 CO 0.13 -0.38 -0.17 0.96 0.02 0.00 0.00 175.30 175.85 2kb4 s ILE 94 N 1.25 2.87 0.07 1.52 -5.25 -0.14 -2.36 121.20 119.17 2kb4 s ILE 94 Ca -0.01 -1.01 0.09 0.00 -0.99 0.00 0.00 60.65 58.73 2kb4 s ILE 94 Cb -0.16 -2.17 -0.03 0.00 2.95 0.00 0.00 42.46 43.04 2kb4 s ILE 94 CO -0.08 0.44 -0.21 0.21 -1.79 0.00 0.00 174.94 173.51 2kb4 s ASN 95 N -1.15 3.59 0.47 4.36 2.47 -0.26 -4.64 114.94 119.78 2kb4 s ASN 95 Ca 0.13 -0.55 0.27 0.00 0.42 0.00 0.00 52.86 53.14 2kb4 s ASN 95 Cb -0.11 -0.46 1.33 0.00 -1.45 0.00 0.00 41.25 40.57 2kb4 s ASN 95 CO 0.03 0.23 1.80 1.05 -3.72 0.00 0.00 177.10 176.50 2kb4 h GLU 96 N 4.32 0.18 0.03 0.43 4.11 -1.96 -2.39 114.58 119.30 2kb4 h GLU 96 Ca -0.48 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 58.77 2kb4 h GLU 96 Cb 1.16 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2kb4 h GLU 96 CO 0.45 0.12 -0.87 0.78 0.07 0.00 0.00 179.01 179.56 2kb4 h GLY 97 N 0.18 0.08 -5.98 1.06 0.00 -1.95 -3.47 103.07 92.99 2kb4 h GLY 97 Ca 0.56 -0.20 -0.42 0.00 0.00 0.00 0.00 47.33 47.26 2kb4 h GLY 97 CO -0.14 0.18 -0.78 -1.83 0.00 0.00 0.00 176.54 173.97 2kb4 s GLU 98 N -2.35 0.97 -0.24 4.80 1.03 -0.90 -5.12 118.70 116.89 2kb4 s GLU 98 Ca -0.23 -0.20 -0.11 0.00 0.03 0.00 0.00 54.97 54.47 2kb4 s GLU 98 Cb 0.02 -0.91 -0.05 0.00 -0.80 0.00 0.00 34.13 32.40 2kb4 s GLU 98 CO 0.67 -0.01 0.17 -0.06 -1.33 0.00 0.00 175.26 174.70 2kb4 s PHE 99 N 0.67 3.31 -0.03 4.83 0.40 -1.25 -1.10 117.98 124.80 2kb4 s PHE 99 Ca -0.10 0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.50 2kb4 s PHE 99 Cb -0.13 -2.29 -0.00 0.00 0.51 0.00 0.00 43.02 41.11 2kb4 s PHE 99 CO 0.01 0.04 -0.13 -1.21 0.70 0.00 0.00 175.22 174.63 2kb4 s GLU 100 N 1.14 1.31 -0.24 0.44 2.02 -0.99 -1.10 118.70 121.27 2kb4 s GLU 100 Ca 0.08 -0.46 -0.05 0.00 0.02 0.00 0.00 54.97 54.56 2kb4 s GLU 100 Cb -0.14 -1.19 -0.01 0.00 0.10 0.00 0.00 34.13 32.90 2kb4 s GLU 100 CO 0.05 0.20 -0.01 0.54 0.02 0.00 0.00 175.26 176.07 2kb4 s VAL 101 N 0.02 3.55 -0.17 2.63 0.11 -0.40 -1.20 120.40 124.94 2kb4 s VAL 101 Ca -0.01 -0.52 0.01 0.00 -2.93 0.00 0.00 61.98 58.53 2kb4 s VAL 101 Cb -0.09 -2.67 0.02 0.00 -1.53 0.00 0.00 36.38 32.11 2kb4 s VAL 101 CO 0.01 0.34 -0.20 0.68 -3.33 0.00 0.00 175.10 172.61 2kb4 s VAL 102 N 1.49 2.02 -0.19 2.04 -7.23 -0.80 -0.76 120.40 116.97 2kb4 s VAL 102 Ca 0.05 -0.92 -0.25 0.00 -1.81 0.00 0.00 61.98 59.05 2kb4 s VAL 102 Cb -0.15 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 2kb4 s VAL 102 CO -0.02 0.53 0.82 -0.62 -0.31 0.00 0.00 175.10 175.51 2kb4 s ASP 103 N 1.23 6.91 0.00 4.85 2.15 0.14 -1.93 116.67 130.03 2kb4 s ASP 103 Ca 0.03 1.12 0.06 0.00 0.43 0.00 0.00 52.55 54.20 2kb4 s ASP 103 Cb -0.13 -2.44 0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2kb4 s ASP 103 CO -0.11 -0.42 0.66 1.33 -0.17 0.00 0.00 175.17 176.45 2kb4 n VAL 104 N 4.87 0.00 -2.83 1.11 0.24 0.19 -4.65 118.33 117.26 2kb4 n VAL 104 Ca 0.04 -0.48 -0.32 0.00 -2.04 0.00 0.00 64.34 61.54 2kb4 n VAL 104 Cb 0.48 1.12 -0.02 0.00 -1.47 0.00 0.00 33.84 33.96 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N 0.46 5.81 0.46 7.63 0.00 -0.74 -4.81 105.19 113.99 2kb4 n GLY 105 Ca 0.04 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.34 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb4 n SER 106 N -0.18 0.57 0.08 1.61 7.64 -1.26 -3.19 113.62 118.89 2kb4 n SER 106 Ca 0.37 -1.24 -0.10 0.00 1.01 0.00 0.00 58.87 58.91 2kb4 n SER 106 Cb 0.34 -0.29 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 2kb4 n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kb4 h LEU 107 N 0.35 0.33 0.00 -3.43 4.07 -1.89 -2.98 115.31 111.76 2kb4 h LEU 107 Ca 0.00 -0.26 -0.09 0.00 0.08 0.00 0.00 57.88 57.61 2kb4 h LEU 107 Cb 0.29 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2kb4 h LEU 107 CO 0.00 1.05 -0.45 0.78 -1.08 0.00 0.00 178.44 178.74 2kb4 h ASN 108 N 0.15 0.00 -2.01 -0.43 4.21 -1.71 -3.49 115.58 112.30 2kb4 h ASN 108 Ca -0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.46 2kb4 h ASN 108 Cb 1.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.68 2kb4 h ASN 108 CO 0.14 0.43 0.00 0.61 -1.29 0.00 0.00 177.43 177.31 2kb4 n GLY 109 N 1.21 -0.68 3.63 2.83 0.00 -1.13 -3.49 105.19 107.57 2kb4 n GLY 109 Ca 0.02 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N -0.50 4.89 -0.08 2.61 2.01 -1.26 -0.89 115.64 122.42 2kb4 s THR 110 Ca 0.00 1.32 0.03 0.00 0.31 0.00 0.00 61.69 63.35 2kb4 s THR 110 Cb 0.00 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 2kb4 s THR 110 CO 0.00 -0.06 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.37 2kb4 s TYR 111 N 2.72 2.64 -0.09 4.92 2.02 0.38 -4.03 117.35 125.91 2kb4 s TYR 111 Ca 0.31 -0.60 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 2kb4 s TYR 111 Cb -0.15 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 2kb4 s TYR 111 CO 0.09 -0.14 -0.20 0.54 -1.57 0.00 0.00 175.55 174.26 2kb4 s VAL 112 N -0.07 2.45 -1.48 0.71 0.11 -0.52 0.21 120.40 121.81 2kb4 s VAL 112 Ca -0.04 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 2kb4 s VAL 112 Cb -0.14 -1.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.75 2kb4 s VAL 112 CO 0.04 0.55 0.00 -3.20 -3.33 0.00 0.00 175.10 169.17 2kb4 n ASN 113 N 3.27 -4.80 0.00 3.54 2.85 0.11 -1.44 115.26 118.79 2kb4 n ASN 113 Ca -0.18 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 2kb4 n ASN 113 Cb 0.53 -3.84 0.00 0.00 1.24 0.00 0.00 39.78 37.71 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kb4 n ARG 114 N -2.53 -0.73 -4.23 1.20 1.74 -1.26 -5.00 116.66 105.85 2kb4 n ARG 114 Ca -0.18 0.18 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 2kb4 n ARG 114 Cb 0.60 -3.85 -0.08 0.00 -1.02 0.00 0.00 32.46 28.11 2kb4 n ARG 114 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2kb4 s GLU 115 N -0.85 2.89 -0.83 5.56 2.12 -0.52 -4.98 118.70 122.09 2kb4 s GLU 115 Ca 0.00 -0.56 -0.25 0.00 0.36 0.00 0.00 54.97 54.52 2kb4 s GLU 115 Cb 0.00 -2.74 -0.06 0.00 0.26 0.00 0.00 34.13 31.60 2kb4 s GLU 115 CO 0.00 0.64 2.01 -2.14 -0.54 0.00 0.00 175.26 175.23 2kb4 s PRO 116 N -1.57 2.41 -0.24 4.30 0.02 -1.26 -1.44 135.00 137.22 2kb4 s PRO 116 Ca 0.20 0.00 -0.06 0.00 0.02 0.00 0.00 61.00 61.16 2kb4 s PRO 116 Cb -0.12 -4.91 0.12 0.00 0.02 0.00 0.00 34.50 29.61 2kb4 s PRO 116 CO 0.11 -3.44 0.48 -0.98 -0.33 0.00 0.00 177.00 172.84 2kb4 s ARG 117 N 7.32 0.41 0.05 5.54 1.70 -1.26 -5.00 118.95 127.72 2kb4 s ARG 117 Ca 0.74 1.01 0.07 0.00 -0.47 0.00 0.00 55.73 57.08 2kb4 s ARG 117 Cb -0.09 0.30 -0.23 0.00 -0.57 0.00 0.00 34.95 34.37 2kb4 s ARG 117 CO 0.04 -0.37 1.03 -2.95 -1.08 0.00 0.00 175.30 171.97 2kb4 h ASN 118 N 8.12 0.07 -3.20 -2.89 -1.07 -1.88 -3.29 115.58 111.43 2kb4 h ASN 118 Ca -0.18 -0.09 -0.67 0.00 0.07 0.00 0.00 56.30 55.43 2kb4 h ASN 118 Cb 1.12 -0.02 -0.14 0.00 -2.07 0.00 0.00 38.32 37.21 2kb4 h ASN 118 CO 0.17 1.08 -0.59 0.00 0.07 0.00 0.00 177.43 178.15 2kb4 s ALA 119 N -2.66 3.38 0.02 4.14 0.00 -1.26 -0.68 121.76 124.70 2kb4 s ALA 119 Ca -0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2kb4 s ALA 119 Cb 0.09 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 2kb4 s ALA 119 CO 0.83 0.53 -0.01 -0.65 0.00 0.00 0.00 175.76 176.45 2kb4 s GLN 120 N -0.69 0.31 -0.03 0.00 -1.52 0.06 -5.02 119.66 112.77 2kb4 s GLN 120 Ca 0.11 -0.55 -0.18 0.00 -1.95 0.00 0.00 55.36 52.80 2kb4 s GLN 120 Cb -0.12 0.11 -0.05 0.00 -0.22 0.00 0.00 33.01 32.73 2kb4 s GLN 120 CO 0.02 -0.05 0.49 0.54 -0.25 0.00 0.00 175.29 176.04 2kb4 s VAL 121 N -1.36 5.01 -0.85 1.09 0.11 -1.26 -1.28 120.40 121.86 2kb4 s VAL 121 Ca -0.15 1.01 -0.33 0.00 -2.93 0.00 0.00 61.98 59.58 2kb4 s VAL 121 Cb -0.09 -3.82 -0.21 0.00 -1.53 0.00 0.00 36.38 30.73 2kb4 s VAL 121 CO -0.01 0.46 2.49 0.80 -3.33 0.00 0.00 175.10 175.51 2kb4 n MET 122 N 2.58 0.00 -4.37 1.54 1.56 -0.26 -4.91 117.12 113.26 2kb4 n MET 122 Ca -0.10 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.03 2kb4 n MET 122 Cb 0.52 -1.46 -0.16 0.00 2.15 0.00 0.00 33.22 34.26 2kb4 n MET 122 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 2kb4 s GLN 123 N 8.02 2.51 -0.04 2.12 0.74 -1.26 -5.01 119.66 126.74 2kb4 s GLN 123 Ca 1.28 -0.66 -0.28 0.00 0.05 0.00 0.00 55.36 55.75 2kb4 s GLN 123 Cb -1.28 -2.15 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 2kb4 s GLN 123 CO 0.52 -0.11 0.90 -0.08 -0.55 0.00 0.00 175.29 175.97 2kb4 s THR 124 N 1.10 4.90 0.00 -0.34 -1.32 -1.26 -3.67 115.64 115.06 2kb4 s THR 124 Ca -0.03 1.88 0.00 0.00 -1.21 0.00 0.00 61.69 62.33 2kb4 s THR 124 Cb -0.14 -4.24 0.00 0.00 -1.51 0.00 0.00 72.50 66.61 2kb4 s THR 124 CO -0.05 0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 2kb4 n GLY 125 N 3.01 1.02 3.64 6.08 0.00 -0.19 -4.92 105.19 113.82 2kb4 n GLY 125 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2kb4 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb4 s ASP 126 N -2.00 4.72 -0.13 1.61 2.15 -1.20 -4.97 116.67 116.85 2kb4 s ASP 126 Ca 0.00 -0.28 -0.02 0.00 0.43 0.00 0.00 52.55 52.68 2kb4 s ASP 126 Cb 0.00 -1.02 -0.03 0.00 -0.30 0.00 0.00 42.92 41.57 2kb4 s ASP 126 CO 0.00 0.17 -0.07 -0.70 -0.17 0.00 0.00 175.17 174.41 2kb4 s GLU 127 N -2.28 3.40 -0.25 4.34 2.12 -1.26 -1.60 118.70 123.16 2kb4 s GLU 127 Ca 0.24 -0.56 -0.06 0.00 0.36 0.00 0.00 54.97 54.94 2kb4 s GLU 127 Cb -0.11 -2.78 -0.01 0.00 0.26 0.00 0.00 34.13 31.49 2kb4 s GLU 127 CO 0.16 0.33 0.04 0.42 -0.54 0.00 0.00 175.26 175.68 2kb4 s ILE 128 N 0.09 3.94 -0.31 -3.70 1.01 0.12 0.07 121.20 122.42 2kb4 s ILE 128 Ca -0.02 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 2kb4 s ILE 128 Cb -0.14 -2.89 0.02 0.00 0.01 0.00 0.00 42.46 39.47 2kb4 s ILE 128 CO 0.03 0.28 0.08 -1.10 0.00 0.00 0.00 174.94 174.23 2kb4 s GLN 129 N 1.54 2.85 -0.68 2.79 -0.21 0.13 -0.46 119.66 125.63 2kb4 s GLN 129 Ca 0.05 -1.02 -0.18 0.00 0.02 0.00 0.00 55.36 54.23 2kb4 s GLN 129 Cb -0.15 -3.38 0.13 0.00 1.00 0.00 0.00 33.01 30.61 2kb4 s GLN 129 CO 0.01 -0.54 0.77 0.96 -2.12 0.00 0.00 175.29 174.37 2kb4 s ILE 130 N 1.44 4.95 0.00 1.08 -4.36 -0.09 -0.47 121.20 123.76 2kb4 s ILE 130 Ca 0.00 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.05 2kb4 s ILE 130 Cb -0.18 -4.52 0.00 0.00 1.25 0.00 0.00 42.46 39.01 2kb4 s ILE 130 CO 0.02 -1.16 0.00 0.61 0.24 0.00 0.00 174.94 174.65 2kb4 n GLY 131 N 5.10 0.41 0.00 6.27 0.00 -0.07 -1.22 105.19 115.69 2kb4 n GLY 131 Ca -0.01 0.70 0.03 0.00 0.00 0.00 0.00 46.02 46.74 2kb4 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kb4 n LYS 132 N 0.00 3.23 -4.12 1.61 5.02 -1.26 -5.05 118.16 117.60 2kb4 n LYS 132 Ca 0.00 -0.02 -0.27 0.00 -2.02 0.00 0.00 58.31 56.00 2kb4 n LYS 132 Cb 0.00 -0.93 -0.06 0.00 -0.02 0.00 0.00 35.03 34.01 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2kb4 s PHE 133 N -1.92 3.06 -0.16 2.13 0.08 -0.36 -5.00 117.98 115.80 2kb4 s PHE 133 Ca 0.01 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.03 2kb4 s PHE 133 Cb 0.05 -1.49 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 2kb4 s PHE 133 CO 0.28 0.52 -0.20 1.03 -0.10 0.00 0.00 175.22 176.75 2kb4 s ARG 134 N -2.94 3.04 -0.08 0.44 0.52 -1.19 -0.91 118.95 117.84 2kb4 s ARG 134 Ca 0.29 -0.82 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 2kb4 s ARG 134 Cb -0.10 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.83 2kb4 s ARG 134 CO 0.22 -0.11 -0.19 -1.17 0.02 0.00 0.00 175.30 174.07 2kb4 s LEU 135 N 1.06 1.91 -0.05 2.53 2.96 0.39 -1.43 118.68 126.05 2kb4 s LEU 135 Ca -0.01 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 2kb4 s LEU 135 Cb -0.14 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 2kb4 s LEU 135 CO -0.07 0.12 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.22 2kb4 s VAL 136 N 0.37 2.81 -0.25 1.68 1.01 0.59 0.13 120.40 126.73 2kb4 s VAL 136 Ca -0.14 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 2kb4 s VAL 136 Cb -0.16 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2kb4 s VAL 136 CO 0.06 0.58 0.00 0.12 0.00 0.00 0.00 175.10 175.86 2kb4 s PHE 137 N -0.57 3.06 0.22 5.22 5.36 -0.63 -0.57 117.98 130.08 2kb4 s PHE 137 Ca 0.08 -1.07 0.10 0.00 -0.96 0.00 0.00 56.93 55.07 2kb4 s PHE 137 Cb -0.11 -2.15 -0.05 0.00 -0.34 0.00 0.00 43.02 40.37 2kb4 s PHE 137 CO 0.01 -0.59 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.49 2kb4 s LEU 138 N 1.46 2.54 0.25 6.12 2.01 -0.61 -1.02 118.68 129.43 2kb4 s LEU 138 Ca 0.03 -0.99 -0.29 0.00 0.01 0.00 0.00 54.13 52.89 2kb4 s LEU 138 Cb -0.16 -0.87 -0.09 0.00 0.01 0.00 0.00 46.19 45.08 2kb4 s LEU 138 CO -0.01 -0.06 0.94 0.00 1.01 0.00 0.00 176.35 178.23 2kb4 s ALA 139 N -2.61 3.32 0.03 4.21 0.00 -1.26 -0.31 121.76 125.15 2kb4 s ALA 139 Ca 0.24 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2kb4 s ALA 139 Cb -0.03 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2kb4 s ALA 139 CO 0.10 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.47 2kb4 n GLY 140 N 1.34 1.81 3.66 0.00 0.00 0.11 -4.70 105.19 107.41 2kb4 n GLY 140 Ca -0.01 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 2kb4 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kb4 s PRO 141 N 4.20 4.17 -0.45 1.61 0.04 -1.26 -4.82 135.00 138.50 2kb4 s PRO 141 Ca 0.00 2.32 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 2kb4 s PRO 141 Cb 0.00 -4.00 0.09 0.00 0.04 0.00 0.00 34.50 30.62 2kb4 s PRO 141 CO 0.00 -0.87 0.33 0.00 0.04 0.00 0.00 177.00 176.50 2kb4 s ALA 142 N 4.04 3.41 -2.52 8.56 0.00 -1.26 -3.15 121.76 130.85 2kb4 s ALA 142 Ca 0.78 -2.23 0.20 0.00 0.00 0.00 0.00 51.96 50.71 2kb4 s ALA 142 Cb -0.36 -2.84 0.16 0.00 0.00 0.00 0.00 23.12 20.07 2kb4 s ALA 142 CO 0.33 -1.74 1.14 -1.91 0.00 0.00 0.00 175.76 173.58