#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 0.08 -2.87 3.17 0.02 -2.13 -3.42 113.55 108.40 2kb4 h SER 2 Ca 0.00 -0.87 -0.63 0.00 -0.84 0.00 0.00 61.79 59.45 2kb4 h SER 2 Cb 0.00 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 2kb4 h SER 2 CO 0.00 0.94 -0.39 1.51 -1.14 0.00 0.00 176.83 177.75 2kb4 s ASP 3 N -6.21 6.50 -0.06 3.07 -4.77 -1.26 -5.09 116.67 108.86 2kb4 s ASP 3 Ca -0.18 0.57 0.00 0.00 -3.30 0.00 0.00 52.55 49.64 2kb4 s ASP 3 Cb -0.01 -2.10 0.02 0.00 -1.09 0.00 0.00 42.92 39.75 2kb4 s ASP 3 CO 0.71 0.28 -0.03 0.20 0.70 0.00 0.00 175.17 177.03 2kb4 s ASN 4 N -1.55 1.33 0.68 2.11 0.01 -1.26 -5.13 114.94 111.13 2kb4 s ASN 4 Ca 0.25 -0.14 -0.15 0.00 -0.71 0.00 0.00 52.86 52.11 2kb4 s ASN 4 Cb -0.13 -0.50 0.01 0.00 0.41 0.00 0.00 41.25 41.04 2kb4 s ASN 4 CO 0.14 -0.11 1.14 0.54 -1.51 0.00 0.00 177.10 177.30 2kb4 s ASN 5 N 1.37 4.86 0.38 -1.22 2.20 -1.26 -5.00 114.94 116.26 2kb4 s ASN 5 Ca -0.04 2.11 -0.20 0.00 -0.94 0.00 0.00 52.86 53.80 2kb4 s ASN 5 Cb -0.13 -2.56 -0.10 0.00 -2.00 0.00 0.00 41.25 36.45 2kb4 s ASN 5 CO -0.03 -1.80 0.88 -0.83 -2.94 0.00 0.00 177.10 172.38 2kb4 s GLY 6 N -2.38 2.43 0.35 0.45 0.00 -1.26 -5.01 107.32 101.89 2kb4 s GLY 6 Ca 0.69 0.30 -0.28 0.00 0.00 0.00 0.00 44.72 45.43 2kb4 s GLY 6 CO 0.42 0.58 1.42 -1.59 0.00 0.00 0.00 173.10 173.92 2kb4 s THR 7 N -2.03 2.34 0.25 0.90 2.01 -1.26 -4.91 115.64 112.94 2kb4 s THR 7 Ca 0.58 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.62 2kb4 s THR 7 Cb -0.11 -3.22 -0.14 0.00 0.01 0.00 0.00 72.50 69.04 2kb4 s THR 7 CO 0.16 0.08 1.18 -2.65 -0.69 0.00 0.00 174.62 172.69 2kb4 n PRO 8 N 0.74 1.52 -2.20 4.92 -0.02 -1.26 -4.90 135.00 133.81 2kb4 n PRO 8 Ca 0.01 0.54 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 2kb4 n PRO 8 Cb 0.40 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 2kb4 n PRO 8 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2kb4 s GLU 9 N -0.94 3.99 -0.42 -0.52 -1.05 -1.26 -4.80 118.70 113.69 2kb4 s GLU 9 Ca 0.65 1.96 -0.38 0.00 -0.15 0.00 0.00 54.97 57.04 2kb4 s GLU 9 Cb -0.72 -2.69 -0.16 0.00 -0.44 0.00 0.00 34.13 30.11 2kb4 s GLU 9 CO 0.55 -0.41 1.59 -2.30 0.95 0.00 0.00 175.26 175.65 2kb4 n PRO 10 N 0.05 0.00 -4.01 -4.83 -0.01 -1.26 -4.94 135.00 120.01 2kb4 n PRO 10 Ca 0.04 0.00 -0.25 0.00 -0.01 0.00 0.00 63.50 63.29 2kb4 n PRO 10 Cb 0.45 -1.27 -0.04 0.00 -0.01 0.00 0.00 33.50 32.64 2kb4 n PRO 10 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 175.50 174.84 2kb4 s GLN 11 N 3.87 3.23 0.21 -0.52 -0.21 -1.26 -5.10 119.66 119.88 2kb4 s GLN 11 Ca 0.96 -0.76 -0.12 0.00 0.02 0.00 0.00 55.36 55.46 2kb4 s GLN 11 Cb -1.27 -2.81 -0.07 0.00 1.00 0.00 0.00 33.01 29.85 2kb4 s GLN 11 CO 0.62 0.48 0.56 0.14 -2.12 0.00 0.00 175.29 174.98 2kb4 s VAL 12 N -1.84 4.89 -0.08 1.09 -7.23 -1.26 -5.07 120.40 110.89 2kb4 s VAL 12 Ca 0.33 0.62 -0.03 0.00 -1.81 0.00 0.00 61.98 61.09 2kb4 s VAL 12 Cb -0.10 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 2kb4 s VAL 12 CO 0.27 0.02 0.08 -0.70 -0.31 0.00 0.00 175.10 174.46 2kb4 s GLU 13 N -2.55 3.19 0.62 4.82 2.56 -1.26 -5.09 118.70 120.98 2kb4 s GLU 13 Ca 0.45 -0.32 -0.17 0.00 0.00 0.00 0.00 54.97 54.93 2kb4 s GLU 13 Cb -0.12 -2.97 -0.02 0.00 2.00 0.00 0.00 34.13 33.02 2kb4 s GLU 13 CO 0.20 0.72 1.13 -0.08 -0.56 0.00 0.00 175.26 176.67 2kb4 s THR 14 N -1.03 3.10 -0.24 -1.70 -1.32 -1.26 -5.04 115.64 108.16 2kb4 s THR 14 Ca 0.17 0.59 -0.03 0.00 -1.21 0.00 0.00 61.69 61.21 2kb4 s THR 14 Cb -0.12 -3.15 0.11 0.00 -1.51 0.00 0.00 72.50 67.83 2kb4 s THR 14 CO 0.06 -0.24 0.23 0.28 -2.21 0.00 0.00 174.62 172.74 2kb4 s THR 15 N -2.05 -0.32 -0.71 5.08 -1.32 -1.26 -5.06 115.64 110.00 2kb4 s THR 15 Ca 0.70 -0.32 -0.18 0.00 -1.21 0.00 0.00 61.69 60.68 2kb4 s THR 15 Cb -0.23 -0.82 0.13 0.00 -1.51 0.00 0.00 72.50 70.07 2kb4 s THR 15 CO 0.36 -0.36 0.82 -0.55 -2.21 0.00 0.00 174.62 172.68 2kb4 s SER 16 N 2.31 6.38 -0.20 8.08 0.15 -1.26 -5.02 113.70 124.14 2kb4 s SER 16 Ca 0.08 -1.77 -0.08 0.00 0.70 0.00 0.00 55.95 54.88 2kb4 s SER 16 Cb -0.15 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2kb4 s SER 16 CO -0.22 -1.02 0.08 0.54 1.20 0.00 0.00 173.24 173.81 2kb4 s VAL 17 N 2.30 4.81 -0.13 4.45 0.11 -1.26 -5.07 120.40 125.61 2kb4 s VAL 17 Ca 0.18 -0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.20 2kb4 s VAL 17 Cb -0.17 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.48 2kb4 s VAL 17 CO 0.00 0.43 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.71 2kb4 s PHE 18 N 0.64 2.81 0.58 1.54 0.08 -1.26 -5.12 117.98 117.25 2kb4 s PHE 18 Ca 0.04 -0.63 0.03 0.00 0.12 0.00 0.00 56.93 56.48 2kb4 s PHE 18 Cb -0.13 -1.84 0.06 0.00 -0.57 0.00 0.00 43.02 40.54 2kb4 s PHE 18 CO 0.01 -0.20 0.80 1.03 -0.10 0.00 0.00 175.22 176.76 2kb4 s ARG 19 N 0.33 2.35 -1.27 0.44 1.81 -1.26 -4.97 118.95 116.38 2kb4 s ARG 19 Ca -0.11 -1.01 -0.19 0.00 -1.72 0.00 0.00 55.73 52.70 2kb4 s ARG 19 Cb -0.16 -2.50 0.02 0.00 -0.45 0.00 0.00 34.95 31.86 2kb4 s ARG 19 CO 0.06 -0.84 1.84 0.00 -0.68 0.00 0.00 175.30 175.68 2kb4 n ALA 20 N -2.38 3.41 0.02 2.13 0.00 -1.26 -4.55 120.51 117.88 2kb4 n ALA 20 Ca 0.10 -3.66 0.03 0.00 0.00 0.00 0.00 53.44 49.91 2kb4 n ALA 20 Cb 0.60 -3.58 -0.09 0.00 0.00 0.00 0.00 19.45 16.39 2kb4 n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kb4 n ASP 21 N 9.35 0.64 -4.75 0.00 8.00 -1.26 -4.91 116.55 123.62 2kb4 n ASP 21 Ca 0.49 0.27 -0.41 0.00 0.71 0.00 0.00 54.79 55.85 2kb4 n ASP 21 Cb 0.45 0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 42.08 2kb4 n ASP 21 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kb4 s LEU 22 N -5.49 4.45 0.32 0.64 1.98 -1.26 -5.02 118.68 114.30 2kb4 s LEU 22 Ca -0.04 2.45 0.04 0.00 -2.89 0.00 0.00 54.13 53.69 2kb4 s LEU 22 Cb 0.09 -3.63 -0.03 0.00 0.66 0.00 0.00 46.19 43.28 2kb4 s LEU 22 CO 0.82 -0.44 0.19 -1.48 -1.89 0.00 0.00 176.35 173.56 2kb4 s LEU 23 N -0.91 1.71 0.14 -0.68 2.34 -1.26 -5.13 118.68 114.88 2kb4 s LEU 23 Ca 0.51 -1.63 -0.30 0.00 0.06 0.00 0.00 54.13 52.78 2kb4 s LEU 23 Cb -0.36 0.28 -0.07 0.00 -0.56 0.00 0.00 46.19 45.48 2kb4 s LEU 23 CO 0.43 -0.95 1.02 -0.54 -1.06 0.00 0.00 176.35 175.25 2kb4 s LYS 24 N -3.71 4.66 0.02 1.48 -0.14 -1.26 -5.04 119.74 115.75 2kb4 s LYS 24 Ca 0.36 1.56 0.04 0.00 -1.36 0.00 0.00 55.97 56.57 2kb4 s LYS 24 Cb 0.04 -3.34 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 2kb4 s LYS 24 CO 0.20 0.16 -0.13 -2.00 -0.76 0.00 0.00 175.35 172.82 2kb4 s GLU 25 N -0.14 0.93 0.56 1.68 2.12 -1.26 -5.16 118.70 117.43 2kb4 s GLU 25 Ca 0.48 -0.64 0.04 0.00 0.36 0.00 0.00 54.97 55.21 2kb4 s GLU 25 Cb -0.26 -0.91 0.06 0.00 0.26 0.00 0.00 34.13 33.28 2kb4 s GLU 25 CO 0.32 0.23 0.78 0.00 -0.54 0.00 0.00 175.26 176.05 2kb4 s MET 26 N -0.85 2.38 0.77 4.30 0.23 -1.26 -5.11 119.30 119.77 2kb4 s MET 26 Ca 0.02 -1.11 -0.10 0.00 -1.03 0.00 0.00 55.69 53.47 2kb4 s MET 26 Cb -0.07 -2.54 0.08 0.00 -1.53 0.00 0.00 34.83 30.77 2kb4 s MET 26 CO 0.01 -0.80 1.11 -1.21 -2.03 0.00 0.00 175.02 172.10 2kb4 s GLU 27 N -4.73 1.93 0.20 3.16 2.02 -1.26 -5.06 118.70 114.96 2kb4 s GLU 27 Ca 0.60 -0.15 -0.20 0.00 0.02 0.00 0.00 54.97 55.24 2kb4 s GLU 27 Cb -0.08 -2.05 -0.08 0.00 0.10 0.00 0.00 34.13 32.01 2kb4 s GLU 27 CO 0.39 -1.51 0.71 -1.12 0.02 0.00 0.00 175.26 173.75 2kb4 s SER 28 N -4.59 7.10 0.78 -0.19 0.01 -1.26 -5.05 113.70 110.50 2kb4 s SER 28 Ca 0.62 1.43 -0.11 0.00 1.31 0.00 0.00 55.95 59.20 2kb4 s SER 28 Cb -0.10 -2.42 0.06 0.00 0.21 0.00 0.00 66.02 63.77 2kb4 s SER 28 CO 0.47 0.08 1.08 -0.44 0.41 0.00 0.00 173.24 174.85 2kb4 s SER 29 N -1.54 4.56 -0.15 2.44 0.01 -1.26 -5.07 113.70 112.68 2kb4 s SER 29 Ca 0.41 1.58 -0.07 0.00 1.31 0.00 0.00 55.95 59.18 2kb4 s SER 29 Cb -0.18 -2.34 0.06 0.00 0.21 0.00 0.00 66.02 63.78 2kb4 s SER 29 CO 0.21 -1.97 0.35 -0.89 0.41 0.00 0.00 173.24 171.36 2kb4 s THR 30 N -3.01 -0.23 0.76 1.44 2.01 -1.26 -5.16 115.64 110.18 2kb4 s THR 30 Ca 0.61 0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.70 2kb4 s THR 30 Cb -0.16 -0.54 0.11 0.00 0.01 0.00 0.00 72.50 71.93 2kb4 s THR 30 CO 0.55 0.07 1.06 -0.83 -0.69 0.00 0.00 174.62 174.78 2kb4 s GLY 31 N 1.82 1.75 0.23 4.40 0.00 -1.26 -5.09 107.32 109.17 2kb4 s GLY 31 Ca -0.06 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 43.38 2kb4 s GLY 31 CO -0.11 -0.76 0.40 -1.08 0.00 0.00 0.00 173.10 171.55 2kb4 s THR 32 N -3.32 5.21 0.04 0.90 -1.32 -1.26 -5.07 115.64 110.83 2kb4 s THR 32 Ca 0.65 -0.58 -0.29 0.00 -1.21 0.00 0.00 61.69 60.26 2kb4 s THR 32 Cb -0.07 -3.79 -0.04 0.00 -1.51 0.00 0.00 72.50 67.08 2kb4 s THR 32 CO 0.46 -0.28 0.91 0.00 -2.21 0.00 0.00 174.62 173.50 2kb4 s ALA 33 N -1.97 3.24 0.65 11.08 0.00 -1.26 -5.05 121.76 128.45 2kb4 s ALA 33 Ca 0.37 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 2kb4 s ALA 33 Cb -0.10 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 2kb4 s ALA 33 CO 0.30 -0.10 1.05 -1.25 0.00 0.00 0.00 175.76 175.76 2kb4 s PRO 34 N 0.49 3.37 -0.06 0.00 0.04 -1.26 -4.97 135.00 132.61 2kb4 s PRO 34 Ca 0.47 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 2kb4 s PRO 34 Cb -0.21 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 2kb4 s PRO 34 CO 0.27 -0.73 1.95 0.00 0.04 0.00 0.00 177.00 178.52 2kb4 s ALA 35 N -3.20 3.36 -0.24 8.56 0.00 -1.26 -4.95 121.76 124.04 2kb4 s ALA 35 Ca 0.56 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2kb4 s ALA 35 Cb -0.11 -3.88 0.06 0.00 0.00 0.00 0.00 23.12 19.19 2kb4 s ALA 35 CO 0.54 -1.86 -0.03 -1.12 0.00 0.00 0.00 175.76 173.29 2kb4 s SER 36 N 5.12 3.76 0.29 0.00 0.01 -1.26 -5.10 113.70 116.52 2kb4 s SER 36 Ca 0.87 -1.19 -0.05 0.00 1.31 0.00 0.00 55.95 56.89 2kb4 s SER 36 Cb -0.37 -1.10 0.02 0.00 0.21 0.00 0.00 66.02 64.78 2kb4 s SER 36 CO 0.37 -0.26 0.47 1.07 0.41 0.00 0.00 173.24 175.30 2kb4 n THR 37 N 4.72 0.00 -3.46 1.44 5.66 -1.26 -5.13 114.28 116.25 2kb4 n THR 37 Ca -0.10 -1.13 0.01 0.00 -3.05 0.00 0.00 64.05 59.77 2kb4 n THR 37 Cb 0.44 0.81 -0.03 0.00 -1.55 0.00 0.00 70.33 70.01 2kb4 n THR 37 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2kb4 s GLY 38 N -2.65 -0.70 0.50 1.09 0.00 -1.26 -5.03 107.32 99.27 2kb4 s GLY 38 Ca 0.18 2.34 0.22 0.00 0.00 0.00 0.00 44.72 47.47 2kb4 s GLY 38 CO 0.13 3.21 2.06 0.00 0.00 0.00 0.00 173.10 178.50 2kb4 h ALA 39 N 7.93 1.49 0.00 3.20 0.00 -1.94 -2.80 119.26 127.13 2kb4 h ALA 39 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kb4 h ALA 39 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kb4 h ALA 39 CO 0.13 0.17 0.00 -0.85 0.00 0.00 0.00 179.25 178.70 2kb4 n GLU 40 N -3.96 0.11 0.12 0.00 0.28 -1.26 -1.42 120.64 114.51 2kb4 n GLU 40 Ca -0.02 0.50 0.13 0.00 -0.16 0.00 0.00 57.16 57.60 2kb4 n GLU 40 Cb 0.22 -1.78 0.43 0.00 1.43 0.00 0.00 31.44 31.74 2kb4 n GLU 40 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kb4 n ASN 41 N -2.00 0.79 -4.35 -1.84 3.02 -1.06 -4.74 115.26 105.08 2kb4 n ASN 41 Ca 0.01 0.61 -0.30 0.00 -0.03 0.00 0.00 54.58 54.87 2kb4 n ASN 41 Cb 0.10 -0.81 -0.14 0.00 -0.61 0.00 0.00 39.78 38.32 2kb4 n ASN 41 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kb4 s LEU 42 N -4.56 2.19 0.18 3.41 1.43 -0.50 -5.02 118.68 115.81 2kb4 s LEU 42 Ca 0.08 -0.62 -0.31 0.00 -1.03 0.00 0.00 54.13 52.26 2kb4 s LEU 42 Cb 0.11 -1.27 -0.10 0.00 0.03 0.00 0.00 46.19 44.97 2kb4 s LEU 42 CO 0.53 0.24 1.48 -2.16 0.23 0.00 0.00 176.35 176.67 2kb4 s PRO 43 N -1.38 4.26 0.18 1.29 0.04 -1.26 -4.91 135.00 133.21 2kb4 s PRO 43 Ca 0.12 2.27 -0.33 0.00 0.04 0.00 0.00 61.00 63.09 2kb4 s PRO 43 Cb -0.10 -3.16 -0.14 0.00 0.04 0.00 0.00 34.50 31.14 2kb4 s PRO 43 CO 0.03 -0.50 1.49 0.00 0.04 0.00 0.00 177.00 178.06 2kb4 n ALA 44 N 3.39 0.97 -3.15 8.56 0.00 -1.26 -4.95 120.51 124.06 2kb4 n ALA 44 Ca 0.11 0.44 0.05 0.00 0.00 0.00 0.00 53.44 54.04 2kb4 n ALA 44 Cb 0.40 -2.29 -0.00 0.00 0.00 0.00 0.00 19.45 17.56 2kb4 n ALA 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kb4 s GLY 45 N 0.66 -1.09 0.16 0.00 0.00 -1.26 -4.96 107.32 100.82 2kb4 s GLY 45 Ca 0.76 1.54 0.04 0.00 0.00 0.00 0.00 44.72 47.06 2kb4 s GLY 45 CO 0.43 3.78 0.21 -0.56 0.00 0.00 0.00 173.10 176.96 2kb4 s SER 46 N 2.88 5.89 0.01 1.64 0.01 -1.26 -4.98 113.70 117.89 2kb4 s SER 46 Ca 0.15 0.00 -0.10 0.00 1.31 0.00 0.00 55.95 57.32 2kb4 s SER 46 Cb -0.08 -1.65 0.01 0.00 0.21 0.00 0.00 66.02 64.50 2kb4 s SER 46 CO -0.24 0.05 0.19 0.00 0.41 0.00 0.00 173.24 173.66 2kb4 s ALA 47 N -1.77 -0.43 0.13 1.44 0.00 -1.26 -2.64 121.76 117.23 2kb4 s ALA 47 Ca 0.33 -0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.30 2kb4 s ALA 47 Cb -0.10 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2kb4 s ALA 47 CO 0.26 -0.26 -0.23 -0.48 0.00 0.00 0.00 175.76 175.05 2kb4 s LEU 48 N -1.58 2.34 -0.05 0.00 2.34 -0.63 -0.56 118.68 120.54 2kb4 s LEU 48 Ca -0.12 -0.76 0.03 0.00 0.06 0.00 0.00 54.13 53.34 2kb4 s LEU 48 Cb -0.05 -1.00 0.01 0.00 -0.56 0.00 0.00 46.19 44.58 2kb4 s LEU 48 CO 0.01 0.08 -0.12 -1.48 -1.06 0.00 0.00 176.35 173.79 2kb4 s LEU 49 N -2.17 1.71 -0.07 1.48 2.34 -0.52 -0.26 118.68 121.19 2kb4 s LEU 49 Ca 0.12 -0.26 -0.03 0.00 0.06 0.00 0.00 54.13 54.02 2kb4 s LEU 49 Cb -0.09 -0.74 -0.04 0.00 -0.56 0.00 0.00 46.19 44.76 2kb4 s LEU 49 CO 0.06 0.06 0.06 0.68 -1.06 0.00 0.00 176.35 176.15 2kb4 s VAL 50 N 0.42 4.75 -0.35 1.48 -7.23 0.30 -2.02 120.40 117.75 2kb4 s VAL 50 Ca -0.09 -0.16 -0.19 0.00 -1.81 0.00 0.00 61.98 59.73 2kb4 s VAL 50 Cb -0.13 -3.06 -0.00 0.00 0.56 0.00 0.00 36.38 33.75 2kb4 s VAL 50 CO 0.02 0.54 0.54 -0.69 -0.31 0.00 0.00 175.10 175.21 2kb4 s VAL 51 N -1.00 4.99 0.03 1.32 1.01 0.09 -0.30 120.40 126.53 2kb4 s VAL 51 Ca 0.16 0.41 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 2kb4 s VAL 51 Cb -0.12 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 32.09 2kb4 s VAL 51 CO 0.06 -0.23 1.22 0.50 0.00 0.00 0.00 175.10 176.64 2kb4 h LYS 52 N 8.45 0.46 -1.69 2.72 3.11 -1.67 -3.41 116.57 124.54 2kb4 h LYS 52 Ca -0.27 -0.37 0.08 0.00 -2.81 0.00 0.00 60.65 57.28 2kb4 h LYS 52 Cb 1.12 0.07 -0.24 0.00 -1.00 0.00 0.00 32.23 32.19 2kb4 h LYS 52 CO 0.79 1.00 0.19 0.50 -2.81 0.00 0.00 179.45 179.11 2kb4 s ARG 53 N -3.69 0.51 0.00 1.90 3.52 -1.15 -5.05 118.95 114.99 2kb4 s ARG 53 Ca -0.13 0.95 0.00 0.00 -0.13 0.00 0.00 55.73 56.41 2kb4 s ARG 53 Cb 0.05 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.65 2kb4 s ARG 53 CO 0.81 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.59 2kb4 n GLY 54 N 4.22 3.60 0.00 8.12 0.00 -1.26 -2.24 105.19 117.63 2kb4 n GLY 54 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb4 n PRO 55 N -0.41 0.00 -0.29 1.61 -0.02 -1.26 -3.19 135.00 131.44 2kb4 n PRO 55 Ca 0.00 0.38 0.06 0.00 -2.02 0.00 0.00 63.50 61.93 2kb4 n PRO 55 Cb 0.00 -1.51 0.17 0.00 -0.02 0.00 0.00 33.50 32.14 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2kb4 h ASN 56 N 0.00 -0.51 0.00 2.55 -0.73 -1.89 -0.57 115.58 114.42 2kb4 h ASN 56 Ca 0.00 0.23 0.00 0.00 1.87 0.00 0.00 56.30 58.40 2kb4 h ASN 56 Cb 0.01 0.43 0.00 0.00 0.27 0.00 0.00 38.32 39.03 2kb4 h ASN 56 CO 0.00 -0.25 0.00 0.00 -0.37 0.00 0.00 177.43 176.81 2kb4 n ALA 57 N -3.12 0.00 -1.55 1.57 0.00 -1.19 -4.29 120.51 111.92 2kb4 n ALA 57 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2kb4 n ALA 57 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.34 0.38 0.00 0.00 0.00 -1.21 -5.00 105.19 98.02 2kb4 n GLY 58 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.12 0.00 -2.59 4.61 0.00 -1.26 -4.89 120.51 116.25 2kb4 n ALA 59 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2kb4 n ALA 59 Cb 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.58 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 1.27 1.07 0.03 0.00 3.03 -1.26 -0.73 118.95 122.36 2kb4 s ARG 60 Ca 0.00 -0.56 -0.01 0.00 2.03 0.00 0.00 55.73 57.19 2kb4 s ARG 60 Cb 0.00 -1.05 -0.02 0.00 -1.03 0.00 0.00 34.95 32.85 2kb4 s ARG 60 CO 0.00 0.28 -0.01 -0.59 -1.13 0.00 0.00 175.30 173.85 2kb4 s PHE 61 N -0.45 0.33 -0.09 5.89 -0.71 -0.86 -4.97 117.98 117.12 2kb4 s PHE 61 Ca 0.04 -0.68 -0.04 0.00 -1.04 0.00 0.00 56.93 55.21 2kb4 s PHE 61 Cb -0.06 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 2kb4 s PHE 61 CO -0.00 -0.27 0.07 -0.51 -1.34 0.00 0.00 175.22 173.17 2kb4 s LEU 62 N -1.99 3.96 -0.27 -1.99 1.02 -1.26 -1.44 118.68 116.70 2kb4 s LEU 62 Ca -0.07 0.28 -0.29 0.00 0.02 0.00 0.00 54.13 54.07 2kb4 s LEU 62 Cb -0.03 -1.98 -0.01 0.00 0.02 0.00 0.00 46.19 44.19 2kb4 s LEU 62 CO -0.04 0.38 1.50 -0.76 0.02 0.00 0.00 176.35 177.45 2kb4 s LEU 63 N -1.04 3.83 0.00 1.79 1.43 0.27 -4.77 118.68 120.19 2kb4 s LEU 63 Ca 0.15 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 2kb4 s LEU 63 Cb -0.12 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.61 2kb4 s LEU 63 CO 0.04 -1.25 0.81 0.47 0.23 0.00 0.00 176.35 176.66 2kb4 n ASP 64 N 8.33 1.69 -4.19 2.29 8.00 -1.26 -4.26 116.55 127.15 2kb4 n ASP 64 Ca 0.17 -1.53 -0.30 0.00 0.71 0.00 0.00 54.79 53.84 2kb4 n ASP 64 Cb 0.46 -0.03 -0.17 0.00 -0.02 0.00 0.00 41.12 41.37 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kb4 s GLN 65 N -0.59 2.57 0.28 -1.24 1.11 -1.26 -4.75 119.66 115.78 2kb4 s GLN 65 Ca 0.04 -0.78 0.01 0.00 0.01 0.00 0.00 55.36 54.64 2kb4 s GLN 65 Cb 0.02 -2.03 0.55 0.00 -1.01 0.00 0.00 33.01 30.54 2kb4 s GLN 65 CO 0.03 0.21 1.83 -1.35 0.01 0.00 0.00 175.29 176.02 2kb4 h PRO 66 N 6.55 0.95 -4.16 2.91 0.11 -1.89 -3.32 132.00 133.15 2kb4 h PRO 66 Ca -0.25 -0.06 -0.61 0.00 0.11 0.00 0.00 66.00 65.19 2kb4 h PRO 66 Cb 1.21 -0.21 -0.39 0.00 0.11 0.00 0.00 31.00 31.71 2kb4 h PRO 66 CO 0.47 0.63 -0.75 0.99 -0.21 0.00 0.00 178.00 179.13 2kb4 s THR 67 N -5.96 1.51 -0.32 -1.15 2.01 -1.26 -0.92 115.64 109.55 2kb4 s THR 67 Ca -0.12 -1.62 -0.08 0.00 0.31 0.00 0.00 61.69 60.18 2kb4 s THR 67 Cb 0.22 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.74 2kb4 s THR 67 CO 0.81 -0.47 0.12 -0.89 -0.69 0.00 0.00 174.62 173.50 2kb4 s THR 68 N 1.33 4.14 -0.25 -0.82 2.01 0.45 -4.99 115.64 117.51 2kb4 s THR 68 Ca 0.05 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.20 2kb4 s THR 68 Cb -0.18 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 2kb4 s THR 68 CO -0.14 -0.04 0.08 -0.89 -0.69 0.00 0.00 174.62 172.95 2kb4 s THR 69 N 1.51 4.47 -0.22 -0.82 2.01 -1.26 -0.11 115.64 121.22 2kb4 s THR 69 Ca 0.02 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 61.75 2kb4 s THR 69 Cb -0.18 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2kb4 s THR 69 CO 0.04 0.34 0.35 0.00 -0.69 0.00 0.00 174.62 174.66 2kb4 s ALA 70 N 1.50 3.57 0.36 7.40 0.00 0.38 -1.76 121.76 133.21 2kb4 s ALA 70 Ca 0.06 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.23 2kb4 s ALA 70 Cb -0.15 -2.59 0.05 0.00 0.00 0.00 0.00 23.12 20.43 2kb4 s ALA 70 CO 0.04 -0.36 0.71 0.41 0.00 0.00 0.00 175.76 176.57 2kb4 n GLY 71 N 4.15 1.11 3.07 0.00 0.00 -1.11 -0.03 105.19 112.38 2kb4 n GLY 71 Ca -0.10 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 2kb4 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb4 s ARG 72 N -2.10 2.83 -0.28 1.61 6.06 0.94 -1.05 118.95 126.96 2kb4 s ARG 72 Ca 0.15 -2.96 -0.28 0.00 -2.50 0.00 0.00 55.73 50.14 2kb4 s ARG 72 Cb -0.04 -3.77 0.19 0.00 0.06 0.00 0.00 34.95 31.38 2kb4 s ARG 72 CO 0.11 -1.22 1.34 -1.01 -2.50 0.00 0.00 175.30 172.02 2kb4 s HIS 73 N -0.80 -0.08 0.26 5.12 3.76 -1.26 -4.42 115.29 117.87 2kb4 s HIS 73 Ca 0.22 0.15 -0.02 0.00 -0.15 0.00 0.00 55.06 55.26 2kb4 s HIS 73 Cb -0.13 0.49 0.42 0.00 1.11 0.00 0.00 32.58 34.46 2kb4 s HIS 73 CO -0.09 -0.06 1.86 -1.35 -0.85 0.00 0.00 174.74 174.25 2kb4 h PRO 74 N 2.35 1.06 -3.12 8.40 0.11 -1.98 -3.10 132.00 135.73 2kb4 h PRO 74 Ca -0.13 -0.06 -0.74 0.00 0.11 0.00 0.00 66.00 65.18 2kb4 h PRO 74 Cb 1.19 -0.24 -0.11 0.00 0.11 0.00 0.00 31.00 31.95 2kb4 h PRO 74 CO 0.22 0.70 2.49 -0.85 -0.21 0.00 0.00 178.00 180.35 2kb4 n GLU 75 N -4.56 3.97 -4.21 1.05 0.00 -1.26 -4.80 120.64 110.83 2kb4 n GLU 75 Ca 0.15 -3.27 -0.12 0.00 0.00 0.00 0.00 57.16 53.92 2kb4 n GLU 75 Cb 0.22 -2.82 -0.10 0.00 0.00 0.00 0.00 31.44 28.74 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2kb4 s SER 76 N 0.99 1.48 0.15 -1.84 0.01 -1.17 -5.05 113.70 108.28 2kb4 s SER 76 Ca 0.50 -1.01 -0.13 0.00 1.31 0.00 0.00 55.95 56.62 2kb4 s SER 76 Cb 0.15 0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.45 2kb4 s SER 76 CO -0.05 -0.39 1.65 -0.78 0.41 0.00 0.00 173.24 174.07 2kb4 h ASP 77 N 2.88 0.81 -3.77 2.44 3.58 -1.66 -3.42 116.42 117.28 2kb4 h ASP 77 Ca -0.36 -0.25 -0.29 0.00 0.42 0.00 0.00 57.03 56.55 2kb4 h ASP 77 Cb 1.18 -0.21 -0.29 0.00 1.72 0.00 0.00 39.33 41.72 2kb4 h ASP 77 CO 0.64 0.85 -0.74 0.27 -2.88 0.00 0.00 179.24 177.38 2kb4 s ILE 78 N -5.24 0.20 -0.20 2.25 -0.00 -1.20 -5.00 121.20 112.01 2kb4 s ILE 78 Ca -0.13 -0.08 -0.05 0.00 -0.00 0.00 0.00 60.65 60.39 2kb4 s ILE 78 Cb 0.12 -0.19 -0.03 0.00 -0.00 0.00 0.00 42.46 42.36 2kb4 s ILE 78 CO 0.80 0.07 0.01 0.72 -0.00 0.00 0.00 174.94 176.55 2kb4 s PHE 79 N 0.10 3.07 0.13 1.37 -0.12 -1.26 -2.75 117.98 118.52 2kb4 s PHE 79 Ca -0.01 -0.36 -0.29 0.00 -0.05 0.00 0.00 56.93 56.22 2kb4 s PHE 79 Cb -0.03 -2.09 -0.06 0.00 -0.63 0.00 0.00 43.02 40.21 2kb4 s PHE 79 CO -0.00 -0.18 0.94 -0.51 -0.05 0.00 0.00 175.22 175.41 2kb4 s LEU 80 N 0.92 4.53 -0.40 -1.99 1.02 -0.22 -4.86 118.68 117.68 2kb4 s LEU 80 Ca 0.02 1.79 -0.01 0.00 0.02 0.00 0.00 54.13 55.95 2kb4 s LEU 80 Cb -0.14 -3.55 0.28 0.00 0.02 0.00 0.00 46.19 42.79 2kb4 s LEU 80 CO 0.02 -0.01 2.02 -0.67 0.02 0.00 0.00 176.35 177.73 2kb4 n ASP 81 N 2.50 6.73 -4.33 2.29 2.03 -0.22 -4.56 116.55 120.98 2kb4 n ASP 81 Ca 0.01 -3.24 -0.25 0.00 0.52 0.00 0.00 54.79 51.83 2kb4 n ASP 81 Cb 0.49 -1.03 -0.12 0.00 -0.72 0.00 0.00 41.12 39.73 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 -0.32 2.82 0.00 1.67 -1.08 -1.26 -4.84 116.67 113.65 2kb4 s ASP 82 Ca 0.39 -0.75 0.26 0.00 -0.52 0.00 0.00 52.55 51.94 2kb4 s ASP 82 Cb 0.31 -0.17 0.71 0.00 -1.46 0.00 0.00 42.92 42.31 2kb4 s ASP 82 CO -0.00 0.07 1.54 1.33 0.52 0.00 0.00 175.17 178.63 2kb4 n VAL 83 N 0.82 0.00 0.75 1.11 0.24 -1.26 -3.45 118.33 116.54 2kb4 n VAL 83 Ca -0.17 -0.11 0.13 0.00 -2.04 0.00 0.00 64.34 62.15 2kb4 n VAL 83 Cb 0.54 0.37 0.37 0.00 -1.47 0.00 0.00 33.84 33.66 2kb4 n VAL 83 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2kb4 n THR 84 N -0.80 0.32 -2.88 3.34 5.66 -1.26 -4.84 114.28 113.82 2kb4 n THR 84 Ca 0.11 -0.18 -0.40 0.00 -3.05 0.00 0.00 64.05 60.53 2kb4 n THR 84 Cb 0.35 -0.33 -0.05 0.00 -1.55 0.00 0.00 70.33 68.75 2kb4 n THR 84 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2kb4 s VAL 85 N -3.08 4.64 0.38 1.08 1.01 -1.22 -4.89 120.40 118.32 2kb4 s VAL 85 Ca 0.10 1.81 -0.05 0.00 0.00 0.00 0.00 61.98 63.84 2kb4 s VAL 85 Cb 0.15 -4.20 0.09 0.00 0.00 0.00 0.00 36.38 32.41 2kb4 s VAL 85 CO 0.63 0.34 0.52 -1.20 0.00 0.00 0.00 175.10 175.39 2kb4 n SER 86 N 2.82 0.15 -0.02 3.32 7.64 -1.26 -4.47 113.62 121.81 2kb4 n SER 86 Ca -0.00 -1.26 -0.09 0.00 1.01 0.00 0.00 58.87 58.53 2kb4 n SER 86 Cb 0.50 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 2kb4 n SER 86 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2kb4 h ARG 87 N 0.00 -0.05 -4.38 1.43 9.65 -1.94 0.27 114.38 119.36 2kb4 h ARG 87 Ca -0.17 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 58.13 2kb4 h ARG 87 Cb 0.49 0.01 -0.37 0.00 -1.39 0.00 0.00 29.97 28.71 2kb4 h ARG 87 CO 0.13 -0.03 -0.80 1.03 2.80 0.00 0.00 179.97 183.09 2kb4 s ARG 88 N -6.19 1.77 -0.27 0.20 0.52 -1.26 -3.56 118.95 110.16 2kb4 s ARG 88 Ca -0.14 -0.63 -0.15 0.00 -0.52 0.00 0.00 55.73 54.30 2kb4 s ARG 88 Cb 0.10 -2.15 -0.11 0.00 0.52 0.00 0.00 34.95 33.30 2kb4 s ARG 88 CO 0.68 -0.40 -0.36 1.58 0.02 0.00 0.00 175.30 176.82 2kb4 n HIS 89 N 4.79 0.00 -3.83 -0.53 -0.00 0.96 -3.86 115.22 112.75 2kb4 n HIS 89 Ca -0.14 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.92 2kb4 n HIS 89 Cb 0.48 -0.93 -0.11 0.00 -0.12 0.00 0.00 29.99 29.31 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 -2.56 -0.45 -0.11 1.57 0.00 -1.03 -0.47 121.76 118.71 2kb4 s ALA 90 Ca -0.38 0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.86 2kb4 s ALA 90 Cb 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2kb4 s ALA 90 CO 0.48 -0.16 -0.21 -2.00 0.00 0.00 0.00 175.76 173.88 2kb4 s GLU 91 N -0.64 2.75 -0.31 0.00 2.12 0.37 -0.47 118.70 122.52 2kb4 s GLU 91 Ca -0.07 -0.77 -0.07 0.00 0.36 0.00 0.00 54.97 54.42 2kb4 s GLU 91 Cb -0.04 -2.16 0.01 0.00 0.26 0.00 0.00 34.13 32.20 2kb4 s GLU 91 CO 0.01 0.07 0.10 -0.06 -0.54 0.00 0.00 175.26 174.84 2kb4 s PHE 92 N 0.62 3.18 0.08 5.30 0.40 0.85 -1.29 117.98 127.11 2kb4 s PHE 92 Ca -0.13 -1.01 0.09 0.00 -0.60 0.00 0.00 56.93 55.27 2kb4 s PHE 92 Cb -0.17 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.05 2kb4 s PHE 92 CO 0.04 -0.60 -0.21 1.03 0.70 0.00 0.00 175.22 176.18 2kb4 s ARG 93 N 1.50 1.80 -0.18 0.44 0.52 0.55 -0.41 118.95 123.17 2kb4 s ARG 93 Ca 0.02 -1.14 -0.00 0.00 -0.52 0.00 0.00 55.73 54.09 2kb4 s ARG 93 Cb -0.18 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.22 2kb4 s ARG 93 CO 0.03 0.50 -0.14 -1.50 0.02 0.00 0.00 175.30 174.21 2kb4 s ILE 94 N -1.01 2.64 0.04 1.52 -1.16 -0.10 -0.39 121.20 122.74 2kb4 s ILE 94 Ca 0.15 -0.76 0.03 0.00 -0.51 0.00 0.00 60.65 59.56 2kb4 s ILE 94 Cb -0.10 -2.14 -0.04 0.00 0.61 0.00 0.00 42.46 40.79 2kb4 s ILE 94 CO 0.07 0.50 -0.00 0.21 -2.81 0.00 0.00 174.94 172.90 2kb4 s ASN 95 N 1.11 5.04 0.63 4.50 2.47 0.68 -4.69 114.94 124.68 2kb4 s ASN 95 Ca 0.00 -0.09 0.27 0.00 0.42 0.00 0.00 52.86 53.46 2kb4 s ASN 95 Cb -0.14 -1.26 1.40 0.00 -1.45 0.00 0.00 41.25 39.79 2kb4 s ASN 95 CO -0.05 0.24 1.80 1.05 -3.72 0.00 0.00 177.10 176.42 2kb4 h GLU 96 N 3.99 0.00 0.00 0.43 4.11 -1.95 -2.09 114.58 119.06 2kb4 h GLU 96 Ca -0.48 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.71 2kb4 h GLU 96 Cb 1.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 2kb4 h GLU 96 CO 0.58 0.00 -1.38 0.41 0.07 0.00 0.00 179.01 178.69 2kb4 n GLY 97 N -1.39 -0.79 3.54 1.06 0.00 -1.26 -4.93 105.19 101.42 2kb4 n GLY 97 Ca 0.04 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 2kb4 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb4 s GLU 98 N -2.38 1.78 -0.17 1.61 2.02 -0.79 -5.16 118.70 115.61 2kb4 s GLU 98 Ca -0.29 -1.55 -0.10 0.00 0.02 0.00 0.00 54.97 53.04 2kb4 s GLU 98 Cb 0.07 0.46 -0.05 0.00 0.10 0.00 0.00 34.13 34.71 2kb4 s GLU 98 CO 0.53 -0.74 0.17 -0.06 0.02 0.00 0.00 175.26 175.18 2kb4 s PHE 99 N -3.36 3.46 -0.06 1.61 0.40 -1.26 -0.23 117.98 118.54 2kb4 s PHE 99 Ca 0.27 0.44 0.01 0.00 -0.60 0.00 0.00 56.93 57.05 2kb4 s PHE 99 Cb -0.01 -2.16 0.02 0.00 0.51 0.00 0.00 43.02 41.38 2kb4 s PHE 99 CO 0.15 0.37 -0.08 -2.00 0.70 0.00 0.00 175.22 174.37 2kb4 s GLU 100 N 0.09 1.21 -0.18 0.44 2.12 0.47 -1.52 118.70 121.34 2kb4 s GLU 100 Ca 0.11 -0.23 -0.01 0.00 0.36 0.00 0.00 54.97 55.21 2kb4 s GLU 100 Cb -0.12 -1.11 0.00 0.00 0.26 0.00 0.00 34.13 33.16 2kb4 s GLU 100 CO 0.01 -0.06 -0.14 0.54 -0.54 0.00 0.00 175.26 175.07 2kb4 s VAL 101 N 0.91 2.64 -0.05 3.70 0.11 -0.06 -0.33 120.40 127.32 2kb4 s VAL 101 Ca -0.11 -0.76 0.06 0.00 -2.93 0.00 0.00 61.98 58.25 2kb4 s VAL 101 Cb -0.15 -2.14 -0.01 0.00 -1.53 0.00 0.00 36.38 32.55 2kb4 s VAL 101 CO 0.01 0.50 -0.24 0.68 -3.33 0.00 0.00 175.10 172.71 2kb4 s VAL 102 N 1.15 2.13 0.18 2.04 -7.23 -0.41 -0.52 120.40 117.74 2kb4 s VAL 102 Ca 0.01 -1.05 -0.20 0.00 -1.81 0.00 0.00 61.98 58.93 2kb4 s VAL 102 Cb -0.14 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.96 2kb4 s VAL 102 CO -0.05 0.57 0.69 1.51 -0.31 0.00 0.00 175.10 177.51 2kb4 s ASP 103 N -0.33 7.09 -0.02 4.85 1.47 -0.48 -0.47 116.67 128.79 2kb4 s ASP 103 Ca 0.01 1.40 0.03 0.00 1.18 0.00 0.00 52.55 55.17 2kb4 s ASP 103 Cb -0.12 -2.41 0.04 0.00 -0.34 0.00 0.00 42.92 40.09 2kb4 s ASP 103 CO 0.02 0.11 0.87 1.33 0.68 0.00 0.00 175.17 178.18 2kb4 n VAL 104 N 1.03 0.74 -2.74 2.11 0.24 0.38 -4.85 118.33 115.24 2kb4 n VAL 104 Ca -0.04 -0.80 -0.08 0.00 -2.04 0.00 0.00 64.34 61.38 2kb4 n VAL 104 Cb 0.51 0.54 0.06 0.00 -1.47 0.00 0.00 33.84 33.48 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 -0.44 -0.03 3.47 7.63 0.00 0.18 -4.71 105.19 111.30 2kb4 n GLY 105 Ca 0.02 0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 2kb4 n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kb4 s SER 106 N -1.47 7.05 -0.14 1.61 0.15 -1.26 -4.73 113.70 114.91 2kb4 s SER 106 Ca 0.29 -2.93 -0.23 0.00 0.70 0.00 0.00 55.95 53.78 2kb4 s SER 106 Cb 0.24 -2.41 -0.20 0.00 -1.71 0.00 0.00 66.02 61.93 2kb4 s SER 106 CO -0.19 -0.78 0.57 -0.07 1.20 0.00 0.00 173.24 173.96 2kb4 h LEU 107 N 9.93 0.00 -2.17 3.45 -0.00 -1.96 -3.36 115.31 121.20 2kb4 h LEU 107 Ca 0.32 -0.76 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 2kb4 h LEU 107 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.54 2kb4 h LEU 107 CO 1.26 0.95 0.00 0.59 -0.00 0.00 0.00 178.44 181.23 2kb4 n ASN 108 N -4.63 3.29 0.00 -0.43 5.03 -1.26 -5.01 115.26 112.25 2kb4 n ASN 108 Ca -0.10 -2.00 0.00 0.00 0.87 0.00 0.00 54.58 53.35 2kb4 n ASN 108 Cb 0.41 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kb4 n GLY 109 N 1.45 1.86 3.45 7.41 0.00 -1.26 -4.77 105.19 113.33 2kb4 n GLY 109 Ca 0.17 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.07 4.39 0.03 2.61 2.01 -1.26 -1.49 115.64 121.86 2kb4 s THR 110 Ca 0.00 -0.18 0.07 0.00 0.31 0.00 0.00 61.69 61.88 2kb4 s THR 110 Cb 0.00 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 2kb4 s THR 110 CO 0.00 0.31 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.73 2kb4 s TYR 111 N 1.62 1.70 -0.24 4.92 2.02 0.44 -3.08 117.35 124.73 2kb4 s TYR 111 Ca 0.06 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 2kb4 s TYR 111 Cb -0.15 -1.02 0.05 0.00 -0.40 0.00 0.00 41.96 40.44 2kb4 s TYR 111 CO 0.04 0.06 -0.11 0.54 -1.57 0.00 0.00 175.55 174.52 2kb4 s VAL 112 N -0.75 1.95 -1.42 0.71 0.11 0.61 0.26 120.40 121.88 2kb4 s VAL 112 Ca 0.06 -1.39 -0.10 0.00 -2.93 0.00 0.00 61.98 57.63 2kb4 s VAL 112 Cb -0.08 -2.05 0.04 0.00 -1.53 0.00 0.00 36.38 32.75 2kb4 s VAL 112 CO 0.01 0.04 1.04 0.59 -3.33 0.00 0.00 175.10 173.46 2kb4 n ASN 113 N 4.54 -4.88 0.00 3.54 4.13 0.22 -1.10 115.26 121.71 2kb4 n ASN 113 Ca -0.14 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.44 2kb4 n ASN 113 Cb 0.44 -4.45 0.00 0.00 -1.54 0.00 0.00 39.78 34.23 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kb4 n ARG 114 N -4.74 -0.24 -3.41 3.52 3.00 -1.26 -5.00 116.66 108.53 2kb4 n ARG 114 Ca -0.03 0.06 -0.41 0.00 -0.01 0.00 0.00 57.85 57.46 2kb4 n ARG 114 Cb 0.56 -3.25 -0.09 0.00 0.00 0.00 0.00 32.46 29.68 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2kb4 s GLU 115 N -0.38 3.59 -0.84 5.56 0.41 -0.26 -5.01 118.70 121.78 2kb4 s GLU 115 Ca 0.00 -0.40 -0.25 0.00 -0.41 0.00 0.00 54.97 53.90 2kb4 s GLU 115 Cb 0.00 -3.80 0.03 0.00 -1.78 0.00 0.00 34.13 28.58 2kb4 s GLU 115 CO 0.00 -0.50 1.45 -1.25 -0.49 0.00 0.00 175.26 174.47 2kb4 s PRO 116 N 2.00 3.23 0.05 0.39 0.04 -1.26 -0.28 135.00 139.17 2kb4 s PRO 116 Ca 0.12 -0.47 0.06 0.00 0.04 0.00 0.00 61.00 60.75 2kb4 s PRO 116 Cb -0.17 -4.69 -0.03 0.00 0.04 0.00 0.00 34.50 29.65 2kb4 s PRO 116 CO 0.12 -2.32 -0.14 1.03 0.04 0.00 0.00 177.00 175.73 2kb4 s ARG 117 N 5.70 2.17 -0.02 4.56 1.81 -1.18 -5.01 118.95 126.98 2kb4 s ARG 117 Ca 0.45 -0.94 -0.09 0.00 -1.72 0.00 0.00 55.73 53.42 2kb4 s ARG 117 Cb -0.06 -2.28 -0.31 0.00 -0.45 0.00 0.00 34.95 31.86 2kb4 s ARG 117 CO 0.05 0.54 0.78 -0.97 -0.68 0.00 0.00 175.30 175.03 2kb4 h ASN 118 N 4.27 0.58 -4.07 0.23 -0.00 -1.93 -3.45 115.58 111.21 2kb4 h ASN 118 Ca -0.48 -0.80 -0.45 0.00 -0.00 0.00 0.00 56.30 54.56 2kb4 h ASN 118 Cb 1.16 -0.19 -0.29 0.00 -0.00 0.00 0.00 38.32 39.00 2kb4 h ASN 118 CO 0.50 1.67 -0.80 0.00 -0.00 0.00 0.00 177.43 178.80 2kb4 s ALA 119 N -2.59 1.01 0.01 1.57 0.00 -1.26 -1.38 121.76 119.12 2kb4 s ALA 119 Ca -0.13 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2kb4 s ALA 119 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2kb4 s ALA 119 CO 0.87 0.23 -0.02 -1.14 0.00 0.00 0.00 175.76 175.70 2kb4 s GLN 120 N -0.18 0.18 -0.06 0.00 2.00 0.33 -5.01 119.66 116.92 2kb4 s GLN 120 Ca 0.03 -0.34 -0.17 0.00 -2.00 0.00 0.00 55.36 52.88 2kb4 s GLN 120 Cb -0.06 0.04 -0.05 0.00 0.80 0.00 0.00 33.01 33.74 2kb4 s GLN 120 CO -0.00 -0.02 0.46 0.08 -0.50 0.00 0.00 175.29 175.31 2kb4 s VAL 121 N -0.80 5.09 -0.14 1.34 1.01 -1.26 -0.88 120.40 124.76 2kb4 s VAL 121 Ca -0.09 0.94 -0.41 0.00 0.00 0.00 0.00 61.98 62.43 2kb4 s VAL 121 Cb -0.05 -3.79 -0.19 0.00 0.00 0.00 0.00 36.38 32.34 2kb4 s VAL 121 CO -0.01 0.43 1.19 0.80 0.00 0.00 0.00 175.10 177.51 2kb4 n MET 122 N 2.87 0.00 -4.19 2.72 1.56 -0.57 -4.95 117.12 114.55 2kb4 n MET 122 Ca -0.10 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.07 2kb4 n MET 122 Cb 0.52 -1.45 -0.17 0.00 2.15 0.00 0.00 33.22 34.27 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 0.85 1.66 -0.12 2.12 0.74 -1.26 -5.00 119.66 118.65 2kb4 s GLN 123 Ca 0.92 -0.34 -0.17 0.00 0.05 0.00 0.00 55.36 55.82 2kb4 s GLN 123 Cb -1.29 -1.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 2kb4 s GLN 123 CO 0.62 -0.14 0.43 -0.08 -0.55 0.00 0.00 175.29 175.57 2kb4 s THR 124 N 1.26 5.20 0.00 -0.34 -1.32 -1.26 -3.88 115.64 115.30 2kb4 s THR 124 Ca -0.03 0.86 0.00 0.00 -1.21 0.00 0.00 61.69 61.31 2kb4 s THR 124 Cb -0.14 -3.77 0.00 0.00 -1.51 0.00 0.00 72.50 67.08 2kb4 s THR 124 CO -0.04 0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.35 2kb4 n GLY 125 N 3.17 0.70 3.87 6.08 0.00 0.72 -4.93 105.19 114.81 2kb4 n GLY 125 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2kb4 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb4 s ASP 126 N -2.70 5.16 -0.14 1.61 1.01 -1.24 -4.94 116.67 115.43 2kb4 s ASP 126 Ca 0.00 -0.64 -0.03 0.00 0.71 0.00 0.00 52.55 52.59 2kb4 s ASP 126 Cb 0.00 -0.73 -0.03 0.00 1.01 0.00 0.00 42.92 43.17 2kb4 s ASP 126 CO 0.00 -0.54 -0.03 -1.83 0.21 0.00 0.00 175.17 172.98 2kb4 s GLU 127 N -4.08 3.56 -0.24 8.23 -1.05 -1.26 -2.05 118.70 121.80 2kb4 s GLU 127 Ca 0.45 -0.50 0.02 0.00 -0.15 0.00 0.00 54.97 54.79 2kb4 s GLU 127 Cb -0.04 -2.89 0.04 0.00 -0.44 0.00 0.00 34.13 30.80 2kb4 s GLU 127 CO 0.27 0.32 -0.12 0.42 0.95 0.00 0.00 175.26 177.10 2kb4 s ILE 128 N 0.16 2.28 -0.38 1.83 1.01 0.69 -0.61 121.20 126.18 2kb4 s ILE 128 Ca -0.01 -1.37 -0.17 0.00 0.00 0.00 0.00 60.65 59.10 2kb4 s ILE 128 Cb -0.14 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.12 2kb4 s ILE 128 CO 0.03 0.14 0.47 -1.58 0.00 0.00 0.00 174.94 173.99 2kb4 s GLN 129 N 1.19 3.39 -0.49 2.79 0.74 0.14 -0.45 119.66 126.97 2kb4 s GLN 129 Ca -0.04 -0.45 -0.15 0.00 0.05 0.00 0.00 55.36 54.77 2kb4 s GLN 129 Cb -0.18 -3.88 0.09 0.00 1.10 0.00 0.00 33.01 30.15 2kb4 s GLN 129 CO -0.07 -0.73 0.41 0.96 -0.55 0.00 0.00 175.29 175.31 2kb4 s ILE 130 N 2.27 5.08 0.00 -2.34 -4.36 0.30 -0.42 121.20 121.73 2kb4 s ILE 130 Ca 0.15 -1.26 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 2kb4 s ILE 130 Cb -0.16 -4.12 0.00 0.00 1.25 0.00 0.00 42.46 39.43 2kb4 s ILE 130 CO 0.14 -0.67 0.00 0.61 0.24 0.00 0.00 174.94 175.26 2kb4 n GLY 131 N 5.17 1.88 0.00 6.27 0.00 -0.55 -2.65 105.19 115.31 2kb4 n GLY 131 Ca -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2kb4 n GLY 131 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kb4 n LYS 132 N 0.00 -0.51 -4.32 1.61 2.85 -1.26 -4.30 118.16 112.23 2kb4 n LYS 132 Ca 0.00 -0.63 -0.17 0.00 -1.05 0.00 0.00 58.31 56.46 2kb4 n LYS 132 Cb 0.00 -1.00 -0.10 0.00 -0.65 0.00 0.00 35.03 33.28 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2kb4 s PHE 133 N -0.13 1.59 -0.01 5.58 -0.12 -1.09 -5.05 117.98 118.75 2kb4 s PHE 133 Ca 0.00 -0.63 0.04 0.00 -0.05 0.00 0.00 56.93 56.29 2kb4 s PHE 133 Cb 0.00 -0.75 -0.01 0.00 -0.63 0.00 0.00 43.02 41.63 2kb4 s PHE 133 CO 0.00 0.28 -0.13 -0.98 -0.05 0.00 0.00 175.22 174.34 2kb4 s ARG 134 N -3.67 1.14 0.04 1.99 1.70 -0.95 -0.54 118.95 118.66 2kb4 s ARG 134 Ca 0.21 -0.47 0.08 0.00 -0.47 0.00 0.00 55.73 55.08 2kb4 s ARG 134 Cb 0.00 -1.08 -0.03 0.00 -0.57 0.00 0.00 34.95 33.27 2kb4 s ARG 134 CO 0.05 0.27 -0.24 -0.51 -1.08 0.00 0.00 175.30 173.79 2kb4 s LEU 135 N -0.23 2.16 -0.21 -1.89 1.02 0.41 -1.74 118.68 118.19 2kb4 s LEU 135 Ca 0.04 -0.55 -0.06 0.00 0.02 0.00 0.00 54.13 53.57 2kb4 s LEU 135 Cb -0.06 -1.17 -0.03 0.00 0.02 0.00 0.00 46.19 44.96 2kb4 s LEU 135 CO -0.00 0.22 0.02 -0.69 0.02 0.00 0.00 176.35 175.93 2kb4 s VAL 136 N -0.78 4.14 -0.20 -1.59 1.01 0.59 -0.22 120.40 123.34 2kb4 s VAL 136 Ca 0.10 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 2kb4 s VAL 136 Cb -0.09 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 2kb4 s VAL 136 CO 0.02 0.41 0.12 0.12 0.00 0.00 0.00 175.10 175.77 2kb4 s PHE 137 N 1.07 3.40 0.11 5.22 2.19 -0.87 -0.54 117.98 128.57 2kb4 s PHE 137 Ca 0.03 0.31 0.07 0.00 0.33 0.00 0.00 56.93 57.68 2kb4 s PHE 137 Cb -0.14 -2.15 -0.04 0.00 -1.31 0.00 0.00 43.02 39.39 2kb4 s PHE 137 CO 0.02 0.29 -0.18 -0.51 1.83 0.00 0.00 175.22 176.67 2kb4 s LEU 138 N 0.31 2.34 0.23 6.12 2.01 0.65 -0.20 118.68 130.14 2kb4 s LEU 138 Ca 0.08 -0.73 -0.30 0.00 0.01 0.00 0.00 54.13 53.19 2kb4 s LEU 138 Cb -0.11 -0.77 -0.09 0.00 0.01 0.00 0.00 46.19 45.23 2kb4 s LEU 138 CO -0.02 -0.01 1.29 0.00 1.01 0.00 0.00 176.35 178.62 2kb4 s ALA 139 N -1.50 3.51 0.92 4.21 0.00 -1.26 -1.61 121.76 126.02 2kb4 s ALA 139 Ca 0.07 1.11 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 2kb4 s ALA 139 Cb -0.08 -3.47 0.15 0.00 0.00 0.00 0.00 23.12 19.72 2kb4 s ALA 139 CO 0.04 -0.52 0.93 0.41 0.00 0.00 0.00 175.76 176.62 2kb4 n GLY 140 N 1.95 -0.91 3.68 0.00 0.00 -1.08 -4.65 105.19 104.18 2kb4 n GLY 140 Ca 0.04 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2kb4 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb4 s PRO 141 N -4.98 4.29 -0.46 1.61 0.02 -1.26 -4.88 135.00 129.35 2kb4 s PRO 141 Ca 0.54 1.78 -0.17 0.00 0.02 0.00 0.00 61.00 63.16 2kb4 s PRO 141 Cb -0.02 -3.65 0.04 0.00 0.02 0.00 0.00 34.50 30.90 2kb4 s PRO 141 CO 0.38 -0.58 0.48 0.00 -0.33 0.00 0.00 177.00 176.95 2kb4 s ALA 142 N 2.74 3.44 -0.88 -1.55 0.00 -1.26 -4.61 121.76 119.64 2kb4 s ALA 142 Ca 0.59 -1.69 0.07 0.00 0.00 0.00 0.00 51.96 50.92 2kb4 s ALA 142 Cb -0.26 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 19.77 2kb4 s ALA 142 CO 0.21 -1.74 0.72 -1.91 0.00 0.00 0.00 175.76 173.05